Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MCULE-4793937131	1	C(C)(C)(CCCCCCCCCCC(C)(C)CC(=O)O)CC(=O)O
MCULE-1513008382	1	C(CCCCCCCCCCCCCC(=O)O)CCCCC(=O)O
MCULE-4708388805	1	C(CCCCC(CCCCCCCCCCCO)=O)(O)=O
MCULE-5437143540	1	C(O)(C(CCCCCCCCCCC(O)=O)CC)=O
MCULE-3207729356	1	C(=O)(C)CCCCCCCCC(=O)O
MCULE-6272236651	1	C(CCCCCCCCCC(=O)O)[C@H](C)CC
MCULE-5735580085	1	CCC(CCCCC(O)=O)C
MCULE-9187669622	1	CCCCCCCCCCCCCCCCC(C)C(=O)O
MCULE-1071013190	1	CCCCCCCCC(CC(O)=O)C
MCULE-5185634901	1	O=C(C(C(CC(C)(C)C)C)CCC(CC(C)(C)C)C)O
MCULE-9724986024	1	C(O)(=O)C(C)CC(CCCCCCCCCCC)CCCCCCCCCCCCC
MCULE-8051469418	1	C(CCCCCCCCCCC(CCC)C(C)=O)(O)=O
MCULE-1735950995	1	C(CCCCCCCCCCCC(CCCCCCCCCCC(CCCCCCCCCCCCCCCC)O)=O)(O)=O
MCULE-9671122893	1	CCCCCCCCCCCCCC(=O)O
MCULE-4312256740	1	C(O)(C(CCCCCCCC)CCCCCCCCCCC(O)=O)=O
MCULE-3587613382	1	OC(CCCCCCCCCC(=O)O)=O
MCULE-6010456842	1	OC(CCCCCCCCCCCCCCCC(=O)O)=O
MCULE-9603867941	1	C(CCCCC(=O)O)CCCCCCCCCO
MCULE-5601308035	1	C(CCCCCCCCCCCCCCCO)(O)=O
MCULE-3378566421	1	C(O)(C(CCCCCCCC)CCCCCCCC)=O
MCULE-5900954615	1	C(CCCCC(CCCCC(C)=O)=O)(O)=O
MCULE-3254150931	1	C(O)(C(C)CCCCCCCCCCCCC)=O
MCULE-3210783287	1	CCCCCCCCCCCCC(C(=O)O)(C)C
MCULE-6938770128	1	C(CCCCCC(CCCCCCCCC(CCCCCC(O)=O)=O)=O)(O)=O
MCULE-4093240509	1	C(CCCCCCCC(O)=O)(O)=O
MCULE-7197861669	1	C(O)(C(C)CCCCCCC(C)C(O)=O)=O
MCULE-3945412548	1	CCCCCC(C(O)=O)C(C)C
MCULE-9581263473	1	C(O)(=O)CCCCCCCCCCCCCCCCCCCCCCCC
MCULE-9215293129	1	C(O)(C(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)=O
MCULE-3771681317	1	C(O)(=O)CCCCCCCCCO
MCULE-1212714477	1	C(O)(C(C)CCCCCC(C)C(O)=O)=O
MCULE-1752034684	1	C(CCCCCCCCCCCCCCCCCCCCC)(O)=O
MCULE-5127577640	1	C(CCCCCCCCCCCCCCCCC)(O)=O
MCULE-5686478683	1	C(CCC)C(CC)C(=O)O
MCULE-6121514710	1	C(O)(=O)CCCCCCCCO
MCULE-9357391090	1	C(CCCCCCCCCCCCCCCC)(O)=O
MCULE-8232897652	1	C(CCCCCCCCCCO)(O)=O
MCULE-1430959106	1	CCCCCCCCCCCCC(=O)O
MCULE-8357312899	1	C(O)(C(C)CCCCCCCCC(C)C(O)=O)=O
MCULE-8934614150	1	C(O)(C(C)CCCCCCCCCCC(C)C(O)=O)=O
MCULE-7546735332	1	CCCCCCCCCCCC(=O)CCCCCC(=O)O
MCULE-4716241218	1	CCC(C(O)=O)(CCC(C)C)C
MCULE-6923368995	1	CC1(C(O)=O)CCCCCCC1
MCULE-1531878545	1	CCCCCC(O)CCCCCC(O)=O
MCULE-4062514314	1	CCCCCC(O)CCCCCCCC(O)=O
MCULE-1306261101	1	CC(CCCCCC(=O)O)(C)C
MCULE-4476618510	1	CC(C(O)=O)(CCCCCC(O)CCCCCC(C(O)=O)(C)C)C
MCULE-8941673168	1	CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-8431505935	1	CCCCCCCCC(CCCCCCCCC(=O)O)O
MCULE-7144406547	1	C(O)(=O)CCCCCCC(C)C
MCULE-2098828387	1	C(CCCCCCCCCCCCCCCCC(O)=O)(O)=O
MCULE-8192564811	1	C(CCCCCCCCCCCC(O)=O)(O)=O
MCULE-3831811055	1	CCCCCC(C(=O)O)C
MCULE-2748338407	1	CCCCC(CCC(=O)O)CC
MCULE-3460494679	1	C(CCCCCCCCC(O)=O)(O)=O
MCULE-1380155289	1	C(CCCCCCC(O)=O)(O)=O
MCULE-2717280848	1	C(O)(=O)C(C)(C)CCCC(C)(C)C(O)=O
MCULE-1361949901	1	C(CCCCCCCCCCCCCCC)(O)=O
MCULE-8259958688	1	C(C)(C)CCCCCCCCCC(=O)O
MCULE-7270362706	1	OCCCCCCC(=O)O
MCULE-3151935797	1	C(CCCCCCCCCCC(=O)O)C(=O)CCCCCCCCCCCCCCCCC
MCULE-4637509445	1	C(=O)(CCCCCCCCCCC)CCCCCCCCCCCC(=O)O
MCULE-9106518461	1	C(CCCCC(O)=O)(CCCCCCCCCCCCCCCCC)=O
MCULE-5299092348	1	C(=O)(C)CCCCCCCC(=O)O
MCULE-8094468025	1	C(CCCCCC(C)CCC)(O)=O
MCULE-2888473872	1	C(CCCCCCCCCCCCCCCCCCC)(O)=O
MCULE-3769146629	1	C(CCCCCCCCCCCC(CCCCCCCCCCCCCCC)=O)(O)=O
MCULE-6667030670	1	C(CCCCCCCCCCCCCCCCCCCC)(O)=O
MCULE-9180879585	1	C(CCCCCCCCCCCC(CCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCC(O)=O)=O)=O)(O)=O
MCULE-1517131616	1	O=C(C(CCCCCC(=O)O)CCCC)O
MCULE-4185159932	1	C(O)(=O)C(C)(C)CCCCCC(=O)CCCCCC(C)(C)C(O)=O
MCULE-7886858957	1	C(C)(C(CCCCCCC(=O)O)=O)C
MCULE-3942492343	1	C(C(CCCCCC(=O)O)=O)(C)C
MCULE-8172997568	1	C(C)(C)C(CCCCC(=O)O)=O
MCULE-7655272143	1	C(CC)C(CCCCCCC(=O)O)=O
MCULE-2592304646	1	C(C(CCCCCC(=O)O)=O)CC
MCULE-2945357825	1	C(CCCCCCCCCCCC(CCCCCCC(CCCCCCCCCCCC(O)=O)=O)=O)(O)=O
MCULE-8555526333	1	C(CCCCCC(O)=O)(CCCCCCCCCCCCCCCCC)=O
MCULE-6960063747	1	C(CCCC)C(=O)CCCCCCC(=O)O
MCULE-7351642049	1	C(C(=O)CCCCC)CCCCCCCCCCC(=O)O
MCULE-5703679612	1	C(CCCCCC)C(C)(C)C(=O)O
MCULE-2066533125	1	CCCCCC(CC(O)=O)C
MCULE-4777686649	1	CCCCCCC(CC(O)=O)C
MCULE-8250703770	1	C(=O)(CCCCCC(=O)O)CCCCCC(=O)O
MCULE-4303741112	1	C(=O)(CCCCCCC(=O)O)CCCCCC(=O)O
MCULE-4048515589	1	C(CCCCCCCCC(CCCCCC(O)=O)=O)(O)=O
MCULE-9191627113	1	C(CCCCCCC)C(C)CCC(=O)O
MCULE-6191845705	1	C(=O)(CC)CCCCCCCCCCCC(=O)O
MCULE-6422981718	1	CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
MCULE-8631552684	1	C(C)(CC)(CCCC)C(=O)O
MCULE-2753582455	1	C(O)(C)CCCCCCCC(=O)O
MCULE-7572073631	1	C(O)(=O)C(CC)(CC)CCCC
MCULE-3907306935	1	C(O)(=O)C(CCC)CCCCC(O)=O
MCULE-4806310815	1	CCCCCCCCCCCCCCCCCCC(C)C(=O)O
MCULE-3085282351	1	C(O)([C@@H](CCCCCC)CCC)=O
MCULE-6954381114	1	C(CCCCCCCCC(CCCCCCCC)C(CCCCCCCC)CCCCCCCCC(O)=O)(O)=O
MCULE-8623857142	1	C(CC)C(CCCCC(=O)O)=O
MCULE-3463709825	1	C(CCCC)C(=O)CCCCCC(=O)O
MCULE-8200495932	1	C(C)(CC)CCCCCCCCCCCCC(=O)O
MCULE-6453713560	1	C(O)(C(CCCC)CCC)=O
MCULE-4060617838	1	C(O)(CCC(C)CCCC(C)C)=O
MCULE-5193957469	1	CCCCCCCC(O)=O
MCULE-6216368990	1	CC(CCCCC(=O)O)=O
MCULE-2795129925	1	CCCCCCCCCCCC(O)=O
MCULE-9255156956	1	C(O)(C(C)CCCCCCCCCC)=O
MCULE-3914949169	1	CCCCCCCCCC(O)=O
MCULE-4736597375	1	CCCCCCCCC(O)=O
MCULE-3088988040	1	C(O)(C(C)CCCCCCCCCCCC)=O
MCULE-6377253083	1	CCCCCCC(C(O)=O)CC
MCULE-7307915460	1	C(O)(CCC(C)CC(C)(C)C)=O
MCULE-6036635794	1	C(O)(=O)C(C(C)C)CCC(C)C(O)=O
MCULE-9552597130	1	CC(CCCCC(=O)O)C
MCULE-2198601753	1	CCCCCCCCCC(CC(=O)O)C
MCULE-6934503036	1	CC(CCCCCC(O)=O)C
MCULE-7728669545	1	CCCCCC(C(O)=O)(C)C
MCULE-8286567269	1	CC(CCCCC(=O)O)(C)C
MCULE-6664640382	1	CCCCCCC(C(O)=O)C
MCULE-7220278799	1	OC(C1CCCCCCC1)=O
MCULE-1489137568	1	C(CCCCCC)(O)=O
MCULE-3935675049	1	C(C)(C(=O)CCCCCCC(=O)O)(C)C
MCULE-9827668199	1	C(CCCC)C(CCCCC(=O)O)=O
MCULE-9203558568	1	C(CCC)C(=O)CCCCCCC(=O)O
MCULE-7182880008	1	C(CCC)C(CCCCCC(=O)O)=O
MCULE-6207970958	1	C(C(CCCCC(=O)O)=O)CCC
MCULE-4717498477	1	CCC(CCCCCCC(=O)O)=O
MCULE-8603570043	1	CCC(CCCCCC(=O)O)=O
MCULE-8497826453	1	CCC(CCCCC(=O)O)=O
MCULE-9929666632	1	C(C)(C(CCCCCC(=O)O)=O)(C)C
MCULE-3612456700	1	CCCCC(CC(O)=O)CC
MCULE-4418670403	1	C(C(CCCCC(=O)O)=O)(C)(C)C
MCULE-2797848894	1	C1(CCCCCCCCCCC1)CCC(=O)O
MCULE-7100044750	1	C(C)(C)(CCCCC(C)(C)C(=O)O)C(=O)O
MCULE-2529831580	1	C(C)(C)(C)CCCCCCCCCCCC(=O)O
MCULE-1366505263	1	CCCCCCC(C(O)=O)(CC)C
MCULE-7480769244	1	CCCCCCC(C(O)=O)(CC)CC
MCULE-9122814153	1	CCCCCCC(C(O)=O)(CCC)C
MCULE-5847460862	1	OC(=O)CCCCCCCCC(=O)O.OCCCCCCO
MCULE-1976551743	1	C(CCCCCC)CCCCCCCCCCCCCCCCCCCCCCC(=O)O
MCULE-1512003484	1	C(=O)(O)CCCCCCCCCCCCCCC(O)=O
MCULE-8069276044	1	C(=O)(O)CCCCCCCCCCCCCCCCCCCCC(=O)O
MCULE-3086618486	1	C(CCCCCCCCCCCO)C(=O)O
MCULE-6168408668	1	C(CCCCCCCCCCC(O)=O)(O)=O
MCULE-4147611614	1	C(=O)(O)CCCCCCCCCCCCC(=O)O
MCULE-6776936355	1	C(CCCCCCCCCCCO)(O)=O
MCULE-3157606515	1	C(CCCCCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCC(=O)O
MCULE-2388869238	1	C(CCCCCCCCCCCCCO)(O)=O
MCULE-8780750351	1	C(CCCCCCCCCCCCCCCCCCCCCCCO)(=O)O
MCULE-4067913342	1	C(=O)(O)C(CCCCC)CCCCC
MCULE-5435336580	1	C(CCCC)(C(=O)O)CCCC
MCULE-8634297667	1	OC(=O)CCCCCCCCCCCCCC(=O)O
MCULE-4790339661	1	C(O)(=O)CC[C@@H](C)CCCC
MCULE-3703948906	1	C(O)(CCC(C)CCCCC)=O
MCULE-2454273176	1	C(O)(CCC(C)CCCC)=O
MCULE-6374843300	1	C(O)(C1CCCCCCCCCC1)=O
MCULE-3886990507	1	C(CCCCCCCC(O)=O)CCCCCCCCCCCCCCCCCC
MCULE-6642298773	1	C(CCCCCCCC(O)=O)CCCCCCCCCCCCCCCCC
MCULE-3515775261	1	C(O)(C(CCCCC)CC)=O
MCULE-9710516271	1	C(CCCCCCCCCCCCCCCCCCCCCCC)(O)=O
MCULE-1743910978	1	C(CCCCC(CCCCCCCCCCCC)O)(O)=O
MCULE-5110587542	1	C(CCCCCCCCCC)(O)=O
MCULE-2401625440	1	C(CCCCCCCCCCCCC(C)C)(O)=O
MCULE-1839591073	1	C(CCCCCCCO)(O)=O
MolPort-001-783-113	1	CC(=O)\C=C\C1=C(C)CCCC1(C)C
MCULE-7115259280	1	C(C)(C)CCCCCCCCCCC(O)=O
MolPort-004-288-372	1	CC(=O)C=CC1=C(C)CCCC1(C)C
MCULE-3651545554	1	C(CCCCCCCCCCCCCCCCCC)(O)=O
MCULE-6672401492	1	C(CCCCCCCCCCCCCCCCCCCCCCCCCCC)(O)=O
MCULE-3630464562	1	C(CCCCCCCCCCCCCC)(O)=O
MCULE-6888441916	1	C(CCCCCCCCCCCCCCCCCCCCCC)(O)=O
MCULE-4488400468	1	CC(=O)CCCCCC(=O)O
MCULE-9618389016	1	C(CCCCCC(O)=O)(O)=O
MCULE-9965131742	1	C(CCCCCCCCCCC(CCCCCC)O)(O)=O
MCULE-6787345030	1	OCCCCCCCCCCCCCCCCC(=O)O
MCULE-5820446421	1	C(C)(C)CCCCCCCC(=O)O
MCULE-6534484335	1	C(C(C(=O)O)CC)CCCCCCCCCCCCCCC
MCULE-5276664308	1	C(C(C(=O)O)CCC)CCCCCCCCCCCCCCC
MCULE-3550915515	1	C(C(C(=O)O)CCCC)CCCCCCCCCCCCCCC
MCULE-5539838856	1	C(C(CC(=O)O)C)CCCCCCCCCCCCCC
MCULE-8562449211	1	CCCC(CC(O)=O)CCC
MCULE-5909088545	1	CCCCCC(C(O)=O)(CC)C
MCULE-4787616333	1	C(CCCCCCCCCCC(CCCC)O)(O)=O
MCULE-3397559485	1	C(C(=O)O)(CCCCCC)CCCCCCCC
MCULE-5870660535	1	C(CCCCCCCCCCC(CCCCC(O)=O)=O)(O)=O
MCULE-9081502044	1	C(CCCCC(CCCCCCCCCC)=O)(O)=O
MCULE-6337534436	1	OC(CCCCCCCCCCCCCCCCCC(=O)O)=O
MCULE-3817725210	1	C(C(=O)O)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
MCULE-9301579624	1	C(CC(C)C(=O)O)CCCCCCCCCCCC
MCULE-7016988868	1	CC(C(C)=O)CCCCC(O)=O
MCULE-6390414263	1	CC(CCCCCCC(O)=O)=O
MCULE-9813732292	1	CCCC(CCCC(O)=O)C
MCULE-7861617656	1	C(O)(C(CCCCCCC)CCCC(O)=O)=O
MCULE-5055484783	1	C(CCCCCCC)C(C)C(=O)O
MCULE-7436631442	1	CCCCCCCCCCC(C(O)=O)(C)C
MCULE-5222815142	1	C(C(=O)O)(CCC)CCCCC
MCULE-5497849862	1	C(C(=O)O)(CCCCCC)CCCCCC
MCULE-5322388227	1	C(C(=O)O)(CCCC)CCCCCC
MCULE-5086680455	0.95	O=CCC(C)CCCC(C)(C)O
MCULE-1194509366	0.95	O=C(O)[C@@H]1CC[C@@H](CCCCCC)CC1
MCULE-3370925166	0.95	C(O)(CC1CCCCC1)=O
MCULE-8009184802	0.95	C1(C(O)=O)CC(C)CCC1C(C)C
MCULE-2954866291	0.95	O=C(CCCC1(CC1)C)O
MCULE-1671810139	0.95	CCCCCC(O)=O
MCULE-3460196722	0.95	C1(C(=O)CCCCCCC(=O)O)CCCCC1
MCULE-6389767396	0.95	C(O)(=O)C(CC)C1CCC1
MCULE-4327900578	0.95	O=C(CC1CCC(O)CC1)O
MCULE-3149463709	0.95	CC1C(C(O)=O)(C)CCC1
MCULE-1119558179	0.95	C12(CC3CC(CC(C)(C3)C1)C2)CC(O)=O
MCULE-2659832762	0.95	CC(CCCC(O)=O)(C)C
MCULE-5802736245	0.95	CC(C(O)=O)C1CCCC1
MCULE-2134315765	0.95	CCC1C(C(O)=O)CCC1
MCULE-1492543766	0.95	CCCC1C(C(=O)O)CCC1
MCULE-3393729107	0.95	OC(C1(C2CCCCC2)CCCCC1)=O
MCULE-3005745030	0.95	C1(CCCC1)C(=O)CCCCC(=O)O
MCULE-6298023012	0.95	C1(CCCC1)C(CCCCCC(=O)O)=O
MCULE-7468358153	0.95	C1(CC(C1)C1CCC1)C(O)=O
MCULE-4520689398	0.95	C1C(CCCCCCC)CCC(C(=O)O)C1
MCULE-8010746516	0.95	OC(CC1C2CC3CC1CC(C3)C2)=O
MCULE-5438762359	0.95	C1(CCCC1)C(CCCCCCC(=O)O)=O
MCULE-6403340018	0.95	CCC(C1CCC(CC(=O)O)CC1)(C)C
MCULE-2378580674	0.95	C1(CCC(C(C)C1C)C)C(O)=O
MCULE-5516862845	0.95	CC(CC1(C(O)=O)CCCC1)C
MCULE-2921898484	0.95	C(O)(=O)C(C)CC1CCC(CC1)O
MCULE-7576071127	0.95	C1(C)(CCC(C)C1(C)C)CC(O)=O
MCULE-8982391334	0.95	C(O)(=O)[C@@H]1CC[C@@H](CC1)CO
MCULE-7386549049	0.95	CC(CC(O)=O)CCC(O)=O
MCULE-6344080868	0.95	CC1(CC(C)(C)CC(C(=O)O)C1)C
MCULE-1554272472	0.95	C1(C(CCCCC(=O)O)=O)CCC1
MCULE-8392329452	0.95	C1(C(=O)CCCCCC(=O)O)CCC1
MCULE-3440507024	0.95	C(O)(=O)C1CCC(C(C)C)C1
MCULE-5656602965	0.95	CCC1(C(O)=O)CCCC1
MCULE-7104580455	0.95	C1(C(CCCC)C(O)=O)CC1
MCULE-1144684182	0.95	CCC(C(O)=O)CC1CCCC1
MCULE-4205663789	0.95	C1(C(=O)CCCCCC(=O)O)CCCCC1
MCULE-1766913999	0.95	C1(C(=O)CCCCC(=O)O)CCCCC1
MCULE-5144645498	0.95	CC(C(O)=O)(CC1C2CCC(CC2)C1)C
MCULE-6233646557	0.95	C(O)(=O)C(C)(C)CCC(C)C
MCULE-9270270979	0.95	CCC(CCC(=O)O)C
MCULE-6312041635	0.95	C(O)(=O)C(CCCCC)C1CCC1
MCULE-5242040138	0.95	C1(C)(C)C(C)CCCC1C(O)=O
MCULE-7756283537	0.95	C(O)(=O)C(C1CCC1)CCC(C)C
MCULE-7467581189	0.95	O=C(CCCCCC1CCCCC1)O
MCULE-2075917209	0.95	OC(C1C2C(CCCC2)CCC1)=O
MCULE-7903672891	0.95	OC(C1CCCCCC1)=O
MCULE-6057419330	0.95	C(O)(=O)C(C1CCC1)CC(C)C
MCULE-8864350466	0.95	C(O)(=O)C(CCCC)C1CCC1
MCULE-3810257141	0.95	CC1CC(C)(C)CC(CC(O)=O)C1
MCULE-6848931753	0.95	OC(C1C(C2CC2)C1)=O
MCULE-4989852289	0.95	CC1(C(C(O)=O)CCCC1)C
MCULE-7080718005	0.95	OC(C1CC2(CC(=O)C2)C1)=O
MCULE-7481548294	0.95	CC(C(C1(C(O)=O)CC2(CCC2)C1)C)C
MCULE-6485034715	0.95	CC[C@@H]1CC[C@@H](C(O)=O)CC1
MCULE-7668550184	0.95	CCC1C(C(O)=O)CCCC1
MCULE-3538648395	0.95	C12(CC3CC(C1)CC(C3)(C(C)C)C2)C(O)=O
MCULE-4964737509	0.95	C(O)(CCC1CC(C1)C)=O
MCULE-1711655800	0.95	C(CCCC)CC([O-])=O.[Na+]
MCULE-1709216331	0.95	CC1CC(C(O)=O)CCC1
MCULE-1014366537	0.95	CCC(C(O)=O)CC1CCCCC1
MCULE-9954307293	0.95	C12(CC3(C1)CC(C3)=O)CC(C2)C(O)=O
MCULE-5593770209	0.95	CC(C(O)=O)CC1CCCCC1
MCULE-8474983446	0.95	C(O)(=O)C(C(C)C)C1CCC1
MCULE-3864039662	0.95	C12(CC3CC4C1CC1CC4C(C3)C2C1)C(O)=O
MCULE-1597063738	0.95	CC(C(=O)O)CCC(C)(C)C
MCULE-8512937446	0.95	CC1C(CC(O)=O)CCCC1
MCULE-3272652270	0.95	C(O)(=O)[C@H]1CC[C@@H](CC1)C
MCULE-9991813044	0.95	CC(C(C(O)=O)CC1CCCCC1)C
MCULE-7786325094	0.95	C(O)(=O)C(CCC)C1CCC1
MCULE-6002154473	0.95	CCCC(CC(O)=O)C
MCULE-4961834405	0.95	C1(C)(C)C(C1CC(O)=O)CC(C)=O
MCULE-6189870651	0.95	CC(CC(CC(O)=O)C)C
MCULE-2727395246	0.95	C1(CC1C(O)=O)C1CC1C1CC1
MCULE-1077439841	0.95	C(CCC([O-])=O)CCCCC.[Na+]
MCULE-2639990914	0.95	CC(C(O)=O)(C1CCC(O)CC1)C
MCULE-9026337383	0.95	C([O-])(=O)CCCCCCCCC([O-])=O.[Na+].[Na+]
MCULE-2712956835	0.95	CC1CC(CC(O)=O)CC1
MCULE-5655752018	0.95	OC(CC(C1CC1)C1CC1)=O
MCULE-5780532364	0.95	OC(CCC1CCC1)=O
MCULE-8761669340	0.95	C1(CC2CCCC(C2C)C1)C(O)=O
MCULE-9872492017	0.95	OC(CCC1(CC1)CCC(=O)O)=O
MCULE-9753015259	0.95	C12(CC1)CC2CC(O)=O
MCULE-1986710794	0.95	OC(CCC1(CCCCC1)CC(=O)O)=O
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MCULE-8327980560	0.83	CC(C1(C2(CCCC2)CC1)O)(C(O)=O)C
MCULE-4848878024	0.83	OC(CC1(CCC2(CC2)CC1)O)=O
MCULE-2839833978	0.83	OC(C12CC(CC1=O)CC2)=O
MCULE-5717394365	0.83	OC(CCC1(CCC2(CC2)CC1)O)=O
MCULE-3238931854	0.83	OC(C1CC(C2CCCCC2)(O)C1)=O
MCULE-7839970640	0.83	[C@@]1(C)(CC[C@H](C(O)=O)C1(C)C)C(O)=O
MCULE-4449782615	0.83	O=C(O)[C@@H]1CCC[C@@H](C(=O)O)C1
MCULE-3306746591	0.83	OC([C@@H]1C[C@H](C(O)=O)CCC1)=O
MCULE-2023555109	0.83	C12(CC1(C)C(O)=O)CC2(C)C(O)=O
MCULE-1653903179	0.83	C1(C(=O)O)C2CCC(CC2)C1C(=O)O
MCULE-7695129098	0.83	C12CC(C(O)C1)CC2C(O)=O
MCULE-6406845010	0.83	C1(C)(C)C(CCC1C(O)=O)C(O)=O
MCULE-7617843574	0.83	C1(CCC(C)C1)(CC(=O)O)CC(=O)O
MCULE-3098351650	0.83	[C@]12(C)CCC3C(CCC(=O)[C@]3(C)CCC(O)=O)C1CCC2[C@H](C)CCCC(C)C
MCULE-5449345895	0.83	CC1CC(C(O)=O)C(C(O)=O)C1
MCULE-6923663809	0.83	[C@@H]1(C(O)=O)CCC[C@H]1C(O)=O
MCULE-2389227142	0.83	C1[C@@H](O)CC[C@@](CC(=O)O)(O)C1
MCULE-2587764931	0.83	C1(CCC(C(=O)O)CC1)(CC(=O)O)CC(=O)O
MCULE-2425344927	0.83	[H]C1(CCC2(C3CC(C4(C(C3C(CC2(C1)[H])(O)[H])CCC4(C(CCC([O-])=O)(C)[H])[H])C)(O)[H])C)O.[Na+]
MCULE-5353614084	0.83	C[C@H](CCC(=O)[O-])[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@](C[C@@H](CC2)O)([H])C[C@@H]3O)[H])([H])CC1.[Na+]
MCULE-6944198613	0.83	C12(CCC(C(C)(C)C1=O)C2)C(O)=O
MCULE-9811591517	0.83	C1(C)(CC(O)=O)C(=O)CCC1=O
MCULE-5673828578	0.83	CC1(C2(CC3CC(CC3)C2)C1C(O)=O)C
MCULE-2928763866	0.83	C1(CCCC(C)C1)(CC(=O)O)CC(=O)O
MCULE-9443303762	0.83	CC(C1(C2(CCCCC2)CC1)O)C(O)=O
MCULE-3320078169	0.83	C12CC(CC1C(O)=O)C(=O)C2
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MCULE-6125603126	0.83	C(O)(=O)CCC1C(=O)CC[C@@]2(C)C1CCC2=O
MCULE-6458890062	0.83	OC(C1C2(CC3CC(CC3)C2)C1)=O
MCULE-7283682823	0.83	C12(CC(CC1)CC2O)C(O)=O
MCULE-1446289266	0.83	C1(CC(C1)CCCC)(C(O)=O)C(O)=O
MCULE-4564542009	0.83	OC1C2(C)C(C(CC(O)=O)C(C3(C)CCC(O)CC3=O)CC2)CC1
MCULE-1338202684	0.83	[C@@]1(C)(C[C@@](C)(C[C@](C)(C(O)=O)C1)C(O)=O)C(O)=O
MCULE-1539151646	0.83	C1CCC(C(CC1)C(O)=O)C(O)=O
MCULE-6451936436	0.83	C1C(C(O)=O)C(C(O)=O)CCC1CCCC(C)C
MCULE-4214835076	0.83	C1(C)(CCC(C(O)=O)C1(C)C)C(O)=O
MCULE-9413167290	0.83	C12(CCC(CC1O)C2(C)C)C(O)=O
MCULE-1370613174	0.83	OC(C1C(C(O)=O)CCC1)=O
MCULE-3346909877	0.83	[C@H]1(C(O)=O)CCCC[C@@H]1C(O)=O
MCULE-8991394896	0.83	[C@]12(C(O)=O)C(C)(C)[C@]([H])(CC1)CC2=O
MCULE-7456688560	0.83	C1(C)(C)C(C)C(CC1C(O)=O)C(O)=O
MCULE-3475821180	0.83	C12(CCC(C1([H])C(C(O)=O)CC2)C(O)=O)[H]
MCULE-3522338549	0.83	C1(CCCC1)(CC(O)=O)CC(O)=O
MCULE-4906980900	0.83	[C@@H]1(C(O)=O)CCCC[C@H]1C(O)=O
MCULE-2724317446	0.83	C1(CC(C(C)(C)C)CC(C(O)=O)C1)C(O)=O
MCULE-9092645789	0.83	C12CC(CC1C(O)=O)CC2O
MCULE-1913862273	0.83	O[C@H]1[C@@H](O)[C@H]2C[C@H](C[C@H](C(O)=O)C2)C1
MCULE-9235794463	0.83	C1(C)(C)C(C)(CCC1(C)C(O)=O)C(O)=O
MCULE-3561865284	0.83	O=C(O)C1C(CC(C)CC1)C(O)=O
MCULE-5010456389	0.83	OC(CC1(C2(CCCCC2)CC1)O)=O
MCULE-1617735058	0.83	OC(C(O)=O)C1C2(CCCCC2)CC1
MCULE-2058287343	0.83	[Na+].OCC1(CCCCC1)CC([O-])=O
MCULE-7718766921	0.83	OC(C1(C2CC(CC2)C1)O)=O
MCULE-2751748723	0.83	[C@H]1(C(O)=O)CCC[C@H](C(O)=O)C1
MCULE-2254711716	0.83	C[C@@]1([C@H](C2(C(O)=O)CC2)CCCC1)O
MCULE-3191585744	0.83	CC1(C(C2(C(O)=O)CC2)CCCC1)O
MCULE-7394880278	0.83	C1(C)(CC(O)=O)C2CCC1(C)C(C2)O
MCULE-4690990385	0.83	C1CCC2C(C(O)=O)C(C(O)=O)C3CCCCC3C2C1
MCULE-3244409567	0.83	OC(C(O)=O)C1C2(CCCC2)CC1
MCULE-4368075445	0.83	C(O)(=O)C.C(O)(=O)C.OC1C2(C)C(C(CC(O)=O)C(C3(C)CCC(O)CC3=O)CC2)CC1
MCULE-4388374834	0.83	C12(C(O)=O)CCCC(C1=O)CCCC2
MCULE-6341821631	0.83	C1(CC2(C1)CC1(C2)CC(C1)=O)(C(O)=O)C(O)=O
MCULE-4782314892	0.83	OC(C1(C2(CCCC2)CC1)O)=O
MCULE-4032658081	0.83	OC(C1(C2(CCCCC2)CC1)O)=O
MCULE-7294774452	0.83	[Na+].[C@@]12([H])C[C@@H]([C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCC([O-])=O)O
MCULE-2578057478	0.83	OC(CC1(C2(CCCC2)CC1)O)=O
MCULE-7328521882	0.83	C1(CC(=O)O)(CC(=O)O)CCCCCC1
MCULE-5697334554	0.83	C1(CC2(C1)CC(C2)O)(C(O)=O)C(O)=O
MCULE-5609850019	0.83	CC(C1(C2(CCCC2)CC1)O)C(O)=O
MCULE-9461957149	0.83	C12C3C4CC1C1C2(C(O)=O)C3C41
MCULE-6310805409	0.83	OC(CCC1(C2(CCCC2)CC1)O)=O
MCULE-9648528247	0.83	C12(CC3CC(CC(C3)C1)C2)C(C(O)=O)C(O)=O
MCULE-8158708245	0.83	O=C(O)[C@@H]1CCC[C@@H](C(=O)O)C1
MCULE-3996975707	0.83	CC(C(O)=O)(C1C2(CCCC2)CC1)O
MCULE-8905557970	0.83	[C@]12(C(=O)O)CC[C@]([H])(CC1=O)C2(C)C
MCULE-4303833280	0.83	C(CC1CCC1)(C(O)=O)C(O)=O
MCULE-1309179067	0.83	C12(C)CCC(C(=O)C1=O)C2(C)CCC(O)=O
MCULE-9877784302	0.83	O=C(O)[C@@H]1C[C@H](C(=O)O)C[C@H](C(=O)O)C1
MCULE-6066809185	0.83	OC(CC1(CCCCC1)CC(O)=O)=O
MCULE-9974933236	0.83	C1(CCCCC1=O)C(=O)CCC(=O)O
MCULE-7528897218	0.83	OC(C1(CCC1)CC1CC2C(C2)C1)=O
MCULE-7536148049	0.83	[C@@]12([H])C(=O)C[C@]3([H])CC(CC[C@]3(C)[C@@]1([H])CC(=O)[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCC([O-])=O)=O.[Na+]
MCULE-2274617868	0.83	C12(CCC(C(C)(C)C1C=O)C2)C(O)=O
MCULE-9601771232	0.83	C12CC(CC1C(O)=O)CC2=O
MCULE-9946794209	0.83	C12(CCC(C(C)(C)C1CO)C2)C(O)=O
MCULE-2410735377	0.83	C1(C(O)=O)(C(O)=O)CC1CCCCCCCC
MCULE-8521080491	0.83	C12(CCC(C(C)(C)C1O)C2)C(O)=O
MCULE-6907877071	0.83	[Na+].OC1(CCC1)CCC([O-])=O
MCULE-4412989829	0.83	C12(CC3CC(CC)(CC(C3)(C(O)=O)C1)C2)C(O)=O
MCULE-5053577261	0.83	C12(C)CCC(C(C(O)=O)C1O)C2(C)C
MCULE-2154783360	0.83	CC(C1(C(C2CC2)CCCC1)O)C(O)=O
MCULE-3928038199	0.83	OC(CC1(C(C2CC2)CCCC1)O)=O
MCULE-6347358348	0.83	OC(C1(C(C2CC2)CCCC1)O)=O
MCULE-7196171464	0.83	OC(C1CC(C(O)=O)CCC1)=O
MCULE-3955505328	0.83	C1(CC(C1)CCC)(C(O)=O)C(O)=O
MCULE-5700412565	0.83	C1(CC(C1)CC(C)C)(C(O)=O)C(O)=O
MCULE-6069018267	0.83	C12(CCC(C1(C)C)(C=O)C2)C(O)=O
MCULE-2210992451	0.83	CC1(C(O)=O)CC(C(O)=O)CCC1
MCULE-7262774135	0.83	C1(C(O)=O)(C(O)=O)C2C1CCCCCC2
MCULE-6204538129	0.83	CCC(C(O)=O)(C1C2(CCCC2)CC1)O
MCULE-7693917962	0.83	[H]C12CC(O)CCC1(C)C1CC(O)C3(C)C(C(C)C(O)=O)CCC3C1CC2
MCULE-3358575308	0.83	CC1(C(C2(C(O)=O)CCC2)CCCC1)O
MCULE-9147662538	0.83	CCC(C1(C2(CCCC2)CC1)O)C(O)=O
MCULE-9956322297	0.83	CCC(C1(CCC2(CC2)CC1)O)C(O)=O
MCULE-3717825499	0.83	C12(C)CCC(CC1=O)C2(C)CC(O)=O
MCULE-4253750674	0.83	O=C1CC2(C)C(CCC2C2CCC3CC(O)CCC3(C)C12)C(O)=O
MCULE-9986157056	0.83	C12C3CCC(C3)C1C2C(O)=O
MCULE-2418790366	0.83	CC1CC(C(O)=O)(C2C(O)CCCC2)C1
MCULE-9442455281	0.83	[C@H]1(C(O)=O)CCC[C@H](C(O)=O)C1
MCULE-6505487662	0.83	CC1CC(C(O)=O)(C2C(O)CCC2)C1
MCULE-7747323415	0.83	[C@@H]1(C(O)=O)CCCC[C@H]1C(O)=O
MCULE-2512006733	0.83	CC1CC(C(O)=O)(C2C(O)(C)CCC2)C1
MCULE-9703499208	0.83	C12(CCC(C(O)C1)(C)C2(C)C)CC(O)=O
MCULE-6154591690	0.83	C1(CCCCC1)(CC(O)=O)C(O)=O
MCULE-9506589203	0.83	[C@H]1(CCCC[C@@H]1C(O)=O)C(O)=O
MCULE-2183676762	0.83	[Na+].[C@@]12(C)[C@@H]([C@H](C)CCC(=O)[O-])CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](C[C@]3(C[C@H]1O)[H])O)C[C@@H]2O)[H]
MCULE-1950757998	0.83	CC1([C@](C(=O)O)(C)CC[C@H]1C(=O)O)C
MCULE-9459049733	0.83	C(O)(=O)CC1(C(O)=O)CCCC(C)(C)C1
MCULE-4004832628	0.82	O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2(C1)[H])C(C)=O
MCULE-3544972262	0.82	O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2(C1)[H])C(C)=O
MCULE-9720790774	0.82	[C@]12(C)C[C@@H](O)C3[C@@]([H])(CCC4CC(=O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
MCULE-9429187529	0.82	CC1(C(C2C(=O)CCC2)CCCC1)O
MCULE-9256642523	0.82	O=C1CCCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC21O
MCULE-5756679964	0.82	CC1([C@@H]2[C@](C(C[C@H]1C2)=O)(O)C)C
MCULE-2147028492	0.82	OC(C1(CCCC1)O)=O
MCULE-5995051629	0.82	[H]C12CCCCC1(C)C1CCC3(C)C(C(O)CC3C1CC2)C(C)=O
MCULE-5483181646	0.82	CC1C2(CC(CCC2)CC1=O)O
MCULE-5660062778	0.82	[H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1C(C2)=O
MCULE-4019531420	0.82	[C@@]12([H])CC[C@H](C(=O)C)[C@@]1([H])[C@H](C(C)C)CC[C@]2(O)C
MCULE-3496895499	0.82	[H]C12CCCCC1(C)C1C(O)CC3(C)C(CCC3C1CC2)C(C)=O
MCULE-5352096496	0.82	CCCC(C([O-])=O)CCCO.[Na+]
MCULE-9546669272	0.82	C[C@@]1([C@H](C2(C=O)CCC2)CCCC1)O
MCULE-3066636390	0.82	O=C(C)C1CCC2C3CC(O)C45C(CCC4(C)C3CCC21C)C5
MCULE-7722587632	0.82	CC(CCCC([O-])=O)O.[Na+]
MCULE-3449258177	0.82	C12CC(C1(C)C)CC(=O)C2(C)O
MCULE-1306043247	0.82	[C@@]12([H])CC[C@@]3([H])CC(CCC3(C)[C@@]1([H])CCC1(C)[C@@](CC[C@@]21[H])(O)C(=O)C)=O
MCULE-6308143690	0.82	CC1(C(C2(C=O)CCCC2)CCCC1)O
MCULE-3986040492	0.82	C12(CO)CCC(=O)C[C@]1(C)CCC1C3CCC(=O)C3(CCC21)C
MCULE-9236214878	0.82	[C@@]1(C)(C[C@@](C1)(CC)O)C(O)=O
MCULE-2235494953	0.82	C12(CCCC(C1)CC(=O)C2)O
MCULE-5534286219	0.82	[C@]1(C)(C[C@@](C1)(CC)O)C(O)=O
MCULE-4493343687	0.82	C(CCCC)(C(O)=O)C(O)=O
MCULE-9332320504	0.82	CC(CC(C(=O)O)CC(=O)O)(C)C
MCULE-1126799973	0.82	CC(C1CC1)(CC(=O)O)O
MCULE-3035503630	0.82	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](CC[C@H](C(C)C)O)C)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@@]2([H])CC1=O
MCULE-5550286131	0.82	C12(C)CCC3C(CCC4CC(O)CCC34C)C1CC(C)C2(O)C(C)=O
MCULE-9557132280	0.82	C12(C)CCC(CC1C(=O)CC1C3C(C)(C(CC3)C(C)CCCC(C)C)CCC12)O
MCULE-1785493425	0.82	C(C(O)C1CC1)C(O)=O
MCULE-4180377229	0.82	C[C@@]1([C@H](C2(C=O)CC2)CCCC1)O
MCULE-4513523452	0.82	C12CC3CC(CC(C3)C1O)C2=O
MCULE-4815351354	0.82	[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(C)=O)[H]
MCULE-5519958446	0.82	OC1C(C(O)=O)CCC1
MCULE-6540318880	0.82	C(CC(CCC)CC(=O)O)(=O)O
MCULE-4182736072	0.82	CC1(C(C2(C=O)CCC2)CCCC1)O
MCULE-5143114271	0.82	[H]C12CC(O)CCC1(C)C1C(CC3(C)C(O)CCC3C1CC2)=O
MCULE-7888882967	0.82	O=C(CC(CC(=O)O)CC(C)C)O
MCULE-3513138919	0.82	O=C1CCC2(C)C3CC(O)C4(C)C(CCC4C3CCC2C1)C(C)=O
MCULE-4575533706	0.82	C(=O)(CCCC)C([O-])=O.[Na+]
MCULE-4685004246	0.82	O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCCCC21O
MCULE-9421331312	0.82	CC(C(C1(C(O)=O)CC(C)C1)C)O
MCULE-5537226560	0.82	C[C@@]1([C@H](CC(C2CC2)=O)CCCC1)O
MCULE-4288241316	0.82	CC(CC1(C(O)=O)CC(C)C1)O
MCULE-2280230224	0.82	C12(CCCCC1CC1C(=O)C2CCC1)O
MCULE-3700635492	0.82	OC1(CCC2(CC2)CC1)CC=O
MCULE-3783153228	0.82	OC1(CCC2(CC2)CC1)CCC=O
MCULE-4660106838	0.82	CC1(C(CC(C2CC2)=O)CCCC1)O
MCULE-9500236289	0.82	O=C(O)C1CCCC1=O
MCULE-8654161103	0.82	C1(C(O)=O)CC(=O)C1(C)C
MCULE-4467363537	0.82	C1(CO)(C(C)CC1)C(O)=O
MCULE-9173713717	0.82	[C@]12(C)CCC(C[C@]1([H])C(=O)CC1C3[C@@](C)([C@@](CC3)(C)O)CCC12)=O
MCULE-8869632251	0.82	[C@]12([H])[C@@](O)(C)C(C[C@]([H])(C1)C2(C)C)=O
MCULE-3680158952	0.82	C(O)(=O)C(C1CCC1)=O
MCULE-2843513529	0.82	C(C(=O)O)C(=O)C1CC1
MCULE-4650460311	0.82	O=C1CC2C3CCCC3(C)CCC2C2(C)CCCCC21O
MCULE-7242119099	0.82	CC1(C(C2(C=O)CC2)CCCC1)O
MCULE-8464659306	0.82	C[C@]12CC[C@H](O)C[C@]1([H])[C@@H](O)C[C@@]1([H])[C@]3([H])CC[C@H](C(=O)C)[C@@]3(C)CC[C@]21[H]
MCULE-8520903082	0.82	OC([C@H]1C[C@H](C(O)=O)C1)(C)C
MCULE-7740494752	0.82	CC(CC1(C(O)=O)CCC1)=O
MCULE-5236898540	0.82	C1(CC(C1)CC(O)=O)=O
MCULE-2640984044	0.82	[C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C([C@H](O)C2)[C@@]2(C)CCC(C[C@]2(CC1)[H])=O)[H]
MCULE-4697861595	0.82	C(C1(CCC1)O)C(O)=O
MCULE-6213617617	0.82	[C@@]12(C)[C@@]([H])([C@H](C)O)CCC1[C@]1(C([C@@]3(C)CC[C@H](C[C@]3(CC1)[H])O)C(=O)C2)[H]
MCULE-6845034407	0.82	C1CC(O)(CCO)CCC1=O
MCULE-4135920946	0.82	C[C@@]1([C@H](C2(C=O)CCCC2)CCCC1)O
MCULE-6757554121	0.82	O=C1CC2(C)C3CCC4(C)C(O)CCC4C3C(CC2(CC1)[H])=O
MCULE-8418088728	0.82	OC1(C2(CCCC2)CC1)CCC=O
MCULE-9704365799	0.82	[H]C12CC(O)CCC1(C)C1C(CC3(C)CC(O)CC3C1CC2)=O
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