Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-044-615-275	0.94	OC(=O)C12OC3C4COCC3C1C24
MCULE-4470386600	0.88	CC1(OC(C(O)=O)CC1)CC1OCCC1
MCULE-8972726907	0.86	OC(C1OC2(CCOCC2)CC1)=O
MolPort-046-687-487	0.86	OC(=O)C1CCC2(CCOCC2)O1
MCULE-4344954004	0.84	CC1C2(OC(C=O)(C)CC2)COC1
MCULE-6045410808	0.84	CC1C(C)C2(OC(C=O)CC2)CO1
MCULE-5984426924	0.84	CC(C1OCC2(OC(C=O)(C)CC2)C1)C
MCULE-6551696049	0.84	CC1C(C)C2(OC(C=O)(C)CC2)CO1
MCULE-7392015266	0.84	CCC1C2(OC(C=O)CC2)COC1
MCULE-7816788663	0.84	CC(C1OCC2(OC(C=O)CC2)C1)C
MCULE-9804728228	0.84	CCC1C2(OC(C=O)(C)CC2)COC1
MCULE-6619078855	0.84	CCC1OCC2(OC(C=O)(C)CC2)C1
MCULE-3927219141	0.84	CCC1OCC2(OC(C=O)CC2)C1
MCULE-1185168922	0.84	CCCC1C2(OC(C=O)(C)CC2)COC1
MCULE-9843633999	0.84	CCCC1C2(OC(C=O)CC2)COC1
MCULE-9418650075	0.84	CC1C2(OC(C=O)CC2)COC1
MCULE-7504722867	0.84	CC1OCC2(OC(C=O)CC2)C1
MCULE-2865011024	0.84	CC1OCC2(OC(C=O)(C)CC2)C1
MCULE-3468006574	0.84	CC(C1C2(OC(C=O)CC2)COC1)C
MCULE-9218141999	0.84	CC(C1C2(OC(C=O)(C)CC2)COC1)C
MCULE-2811073907	0.84	C1C(O)C(OCC(O)C(C(O)C(CO)O)O)C2(C(O)=O)C(C(=O)C)OC1C2C
MolPort-046-697-158	0.84	CC1C2CC(O)C(OCC(O)C(O)C(O)C(O)CO)C1(C(O2)C(C)=O)C(O)=O
MolPort-046-419-783	0.83	OC(=O)C12CC(CO1)CCC2
MCULE-3275170163	0.83	CC1(OC(C(O)=O)CC1)CC1COCC1
MCULE-4975782961	0.83	C1(CC)(C(OC)=O)C2(O1)CCCOCC2
MCULE-8345460392	0.82	OC(C1(OCCC1)CC1CC2C(C2)C1)=O
MCULE-6030396416	0.82	CC1(C2C3OC(CC3)C2)OCC(=O)C1
MCULE-1667669377	0.82	O=C1CC2(CCOCCC2)OC1
MCULE-6353174888	0.82	OC(C1OC2(CC3CC(CC3)C2)CC1)=O
MCULE-7365494718	0.82	OC([C@H]1[C@@H]2[C@@H](COCC2)CO1)=O
MCULE-2003586639	0.82	OC(C1OC(C2CC3C(C3)C2)CC1)=O
MCULE-3744763539	0.82	CC1(C(O)=O)OC(C2CC3C(C3)C2)CC1
MCULE-4816619944	0.82	O=CC1OC2(CC(C3CC3)OC2)CC1
MCULE-8421629880	0.82	CC1(C=O)OC2(CC(C3CC3)OC2)CC1
MCULE-2723398556	0.82	O=CC1(OC2COCC2)CCCCC1
MCULE-5297480989	0.82	C12(C(O)=O)CC3C(CO1)(C)C2(C)CC3
MolPort-044-755-254	0.82	CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(=O)C(C)(C)C)[C@@H]3C[C@H]3O[C@@]23C1
MolPort-044-729-888	0.82	OC(=O)[C@@H]1OC[C@@H]2COCC[C@H]12
MolPort-000-205-498	0.82	CC12COC3(CC1CCC23C)C([O-])=O
MolPort-000-422-207	0.82	CC12COC3(CC1CCC23C)C(O)=O
MolPort-044-432-424	0.81	OC(=O)[C@@H]1OC[C@@H]2CCC[C@H]12
MolPort-046-699-014	0.81	OC(=O)C1C[C@@H]2CCCC[C@H]2O1
MCULE-2012500549	0.81	CC1(OC(C(O)=O)CC1)CC1CCCC1
MCULE-4124785373	0.81	OC([C@H]1[C@@H]2[C@@H](CCC2)CO1)=O
MCULE-4269649003	0.81	O1C2CCCCC2C(C)C1C(O)=O
MCULE-9618096679	0.81	O1C23C4CCC(C4(C)CCC2C2(C1)CCC(O)CC2(O)CC3)C(C)=O
MCULE-7295806664	0.81	CCC1C2(OC(C(O)=O)CC2)COC1
MCULE-1094491357	0.81	CC1C(C)C2(OC(C(O)=O)CC2)CO1
MCULE-4220781784	0.81	CCC1OCC2(OC(C(O)=O)(C)CC2)C1
MCULE-2893340805	0.81	CCC1C2(OC(C(O)=O)(C)CC2)COC1
MCULE-3910634853	0.81	CC(C1OCC2(OC(C(O)=O)CC2)C1)C
MCULE-6344788668	0.81	CC1C2(OC(C(O)=O)CC2)COC1
MCULE-6136560083	0.81	CC(C1C2(OC(C(O)=O)CC2)COC1)C
MCULE-7557117255	0.81	CCC1OCC2(OC(C(O)=O)CC2)C1
MCULE-1352355528	0.81	CC1C(C)C2(OC(C(O)=O)(C)CC2)CO1
MCULE-3793674300	0.81	CC1OCC2(OC(C(O)=O)(C)CC2)C1
MCULE-6995402092	0.81	CC1OCC2(OC(C(O)=O)CC2)C1
MCULE-2179505150	0.81	CC1C2(OC(C(O)=O)(C)CC2)COC1
MCULE-8079015611	0.81	CCCC1C2(OC(C(O)=O)CC2)COC1
MolPort-046-736-145	0.81	OC(=O)C1CCC2(CCOC2)O1
MCULE-7955879456	0.80	[Na+].C12C3(C)COC(C(=O)[O-])(C1)C3(C)CC2
MCULE-6805147331	0.80	[K+].C12C3(C)COC(C(=O)[O-])(C1)C3(C)CC2
MCULE-2320795536	0.80	C1(CC)(C(OC)=O)OC21CCOC(C)C2
MCULE-8523266501	0.80	O=C1CC(C2COCC2)OC1
MCULE-1064915888	0.80	OC(C1OC2(CCC3(CC3)CC2)CC1)=O
MCULE-7656746901	0.80	COC1CC2(OCC(=O)C2)CCC1
MCULE-8507360329	0.80	OC(C1OC2(C3(CCCC3)CC2)CC1)=O
MCULE-8877642910	0.80	CCC1(C2COCC2)OCC(=O)C1
MCULE-1385066007	0.80	CC1(C2COCC2)OCC(=O)C1
MolPort-002-516-100	0.80	[Na+].C[C@]12CO[C@]3(CC1CCC23C)C([O-])=O
MolPort-046-596-246	0.79	CC(=O)[C@@]1(O)CCC2C3C[C@@H]4O[C@@]44CC5(CC[C@]4(C)C3CC[C@]12C)OCCO5
MolPort-002-527-848	0.79	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H]4O[C@@]44CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5
MolPort-046-736-886	0.79	OC(=O)C1CC2(CCCC2)CO1
MCULE-2397451250	0.79	[C@]123CC4(CC[C@]1(C)[C@@]1([H])CC[C@]5([C@@]([H])(CC[C@]5(O)C(C)=O)[C@@]1(C[C@@H]2O3)[H])C)OCCO4
MCULE-7611129689	0.79	OC(C1OC2(CC(C3CC3)OC2)CC1)=O
MCULE-7018580812	0.79	O1C23C4CCC(C4(C)CCC2C2(C1)CCC(O)CC2(O)CC3)C(O)=O
MCULE-3185019013	0.79	CC1(OC(C=O)CC1)CC1OCCC1
MCULE-6497106589	0.79	CC1(OC(C=O)(C)CC1)CC1OCCC1
MolPort-039-052-419	0.79	CC(C)(O)[C@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-044-432-460	0.78	COC(=O)CC[C@@H]1CC[C@@H](O1)C(O)=O
MolPort-046-761-051	0.78	CCO[C@@H]1CC(=O)C[C@H]2OCC[C@@]12O
MolPort-046-697-159	0.78	COC(=O)C12C(C)C(CC(O)C1O)OC2C(C)=O
MCULE-5846915722	0.78	CC1OCC2(OC(C=O)(C)CC2)CC1
MCULE-5517052622	0.78	CCC1C2(OC(C=O)CCC2)COC1
MCULE-7081799618	0.78	CC1C2(OC(C=O)CCC2)COC1
MCULE-9606267123	0.78	CC1C(C)C2(OC(C=O)CCC2)CO1
MCULE-4419118971	0.78	CC(C1C2(OC(C=O)CCC2)COC1)C
MCULE-3586442151	0.78	CC1OCC2(OC(C=O)CC2)CC1
MCULE-6204937194	0.78	CCC1OCC2(OC(C=O)CCC2)C1
MCULE-4936775895	0.78	CCCC1C2(OC(C=O)CCC2)COC1
MCULE-2704277235	0.78	CC1OCC2(OC(C=O)CCC2)C1
MCULE-2599098767	0.78	CC(C1OCC2(OC(C=O)CCC2)C1)C
MCULE-1272055136	0.78	C1C(O)C(O)C2(C(OC)=O)C(C(=O)C)OC1C2C
MCULE-6982983171	0.78	OC(C1OC(C2CC3C(C3)CC2)CC1)=O
MCULE-7046380322	0.78	CC(C1OCC2(OCC(=O)C2)C1)C
MCULE-4419910325	0.78	CC1(OC(C)(C)C2(OCC(=O)C2)C1)C
MCULE-1889238169	0.78	CC(C1C2(OCC(=O)C2)COC1)C
MCULE-6606009353	0.78	CC1OCC2(OCC(=O)C2)C1
MCULE-6094954541	0.78	CC1(OCC2(OCC(=O)C2)C1)C
MCULE-1443960289	0.78	CCC1C2(OCC(=O)C2)COC1
MCULE-9851540665	0.78	CC1C(C)C2(OCC(=O)C2)CO1
MCULE-7121565599	0.78	CCCC1C2(OCC(=O)C2)COC1
MCULE-6051902074	0.78	CC1OC(C)C2(OCC(=O)C2)C1
MCULE-1622630673	0.78	CCC1OCC2(OCC(=O)C2)C1
MCULE-1501570498	0.78	CC1C2(OC(C(O)=O)CC2)CCCCC1
MolPort-046-472-511	0.78	OC(=O)C12CCC(CO1)C2
MolPort-046-698-679	0.78	OC(=O)C1CC2(CO1)CCOCC2
MolPort-046-687-604	0.78	CC12CCC(C1)(OC2)C(O)=O
MolPort-046-024-048	0.77	OC(=O)C1(CCCO1)C1CCCO1
MolPort-002-509-987	0.77	C[C@]12CCC3C(C[C@@H]4O[C@@]44CC5(CC[C@]34C)OCCO5)C1CCC2=O
MCULE-9961611436	0.77	[C@]123CC4(CC[C@]1(C)C1CC[C@]5(C(CCC5=O)C1C[C@@H]2O3)C)OCCO4
MCULE-9360255007	0.77	COC1(COCC1)CC1C(=O)COC1C
MCULE-3442440014	0.77	C12(COC(CC)C1)OC2C(OC)=O
MCULE-1419590253	0.77	C12(COC(C(C)C)C1)OC2C(OC)=O
MCULE-1082085436	0.77	C12(COC(CC)C1)OC2(C)C(OC)=O
MCULE-2391491595	0.77	C1(C(C)C)(C(OC)=O)OC21COC(C)C2
MCULE-3801527309	0.77	C12(COC(C)(C)C1)OC2(CC)C(OC)=O
MCULE-4888488411	0.77	C12(COC(C(C)C)C1)OC2(C)C(OC)=O
MCULE-9846907120	0.77	C12(CC(OC1C)C)OC2(CC)C(OC)=O
MCULE-4723116129	0.77	C12(COC(C)C1)OC2(CC)C(OC)=O
MCULE-4134940635	0.77	C12(COC(C)C1C)OC2(CC)C(OC)=O
MCULE-2645803658	0.77	O=CC1OC2(CC(C3CC3)OC2)CCC1
MCULE-6376743672	0.77	C12(C(OC)=O)CC3(C(CO1)(C)C2(C)CC3)[H]
MCULE-6589237358	0.77	O=C1C2C3CC1CC3CO2
MCULE-6259484078	0.77	CCOC1CCC2(OC(C=O)CC2)CC1
MCULE-5989731013	0.77	CC1(OC(C=O)CC1)CC1COCC1
MCULE-6949840333	0.77	CC1(OC(C=O)(C)CC1)CC1COCC1
MolPort-039-240-502	0.77	O=C1[C@@H]2C[C@@H]3CO[C@H]1[C@H]3C2
MolPort-039-240-173	0.77	O=C1C2CC3COC1C3C2
MolPort-035-706-093	0.76	O[C@@H]1CC(=O)C[C@H]2OCC[C@@]12O
MCULE-4055712940	0.76	C1[C@@H](O)[C@]2(O)CCO[C@]2([H])CC1=O
MCULE-5237011777	0.76	CC1C(C2C(O)COC2)C(=O)CO1
MCULE-8817367203	0.76	C1(O)(CC(CCOC1C(O)=O)=O)C(O)=O
MCULE-1222762241	0.76	COC1C2(OCC(=O)C2)CCOC1
MCULE-4460822061	0.76	O=C1CC2(CC(C3CC3)OC2)OC1
MCULE-6766250384	0.76	C[C@@]12[C@@H]3[C@]4([C@@]5([C@@]([C@@H]([C@H]3O)O)(C)[C@@H](C(=O)C)CC5)O4)CC[C@H]1C[C@@H](O)CC2
MCULE-7920936391	0.76	O=C1CC(C2COCCC2)OC1
MCULE-3628684553	0.76	C1C[C@]2(C)[C@@]3([H])[C@H](O)[C@@H](O)[C@]4(C)[C@]([H])(C(C)=O)CC[C@]54O[C@@]35CC[C@@]2([H])C[C@H]1O
MCULE-4895668715	0.76	OC(C1(C2OCCCC2)OCCC1)=O
MCULE-5842810200	0.76	C1(CC)(C(OC)=O)C2(O1)CCOCC2
MCULE-3531331563	0.76	C1(CC)(C(OC)=O)OC21CCOCC2C
MCULE-6750130950	0.76	C12(COC(C1)C1CC1)OC2(C)C(OC)=O
MCULE-9114692089	0.76	COC(C1C2(CC(C)OC2)OCC1=O)=O
MCULE-7743603820	0.76	C12(COC(C1)C1CC1)OC2C(OC)=O
MCULE-5890565313	0.76	C123C(=O)OC4C5OC(=O)C(C5C(C)(C)O)C(CC1(O2)[H])(O)C34C
MCULE-7857517846	0.76	O=C1O[C@]2([H])[C@H](C(C)(O)C)[C@]1([C@]1([C@]3([C@]2([H])OC(=O)[C@@]23O[C@]2([H])C1)C)O)[H]
MCULE-5806529662	0.76	O1[C@@H]2C[C@@]3([C@H]4C(=O)O[C@H]([C@H]4C(C)(C)O)[C@@H]4[C@]3(C)[C@]12C(=O)O4)O
MCULE-3811447344	0.76	O=C1O[C@]2([H])[C@@H](C(C)(O)C)[C@]1([C@]1([C@]3([C@]2([H])OC(=O)[C@@]23O[C@]2([H])C1)C)O)[H]
MCULE-2539475671	0.76	COC(CC1OCC(=O)C1)(C)C
MCULE-7471077452	0.76	CC1(OCC(=O)C1)CC1OCCC1
MCULE-4913438023	0.76	COC(CC1(OCC(=O)C1)C)(C)C
MCULE-9913260968	0.76	CC1C(C)C(CCC(O)=O)(O)CO1
MolPort-039-052-645	0.76	CC(=O)[C@@H]1CC[C@]23O[C@]22CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]2[C@H](O)[C@@H](O)[C@]13C
MolPort-039-052-636	0.76	C[C@@]12O[C@H]3C[C@H]1C[C@@]1(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(O)=O)[C@H]31)[C@@H]2O
MolPort-045-971-931	0.76	OC(=O)C1(CCCO1)C1CCCCO1
MolPort-046-646-852	0.76	COC(=O)[C@]12O[C@H]1[C@H]1CCCC[C@@H]21
MolPort-003-665-993	0.76	CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C
MolPort-046-687-656	0.75	OC(=O)C1CC2(CCC2)CO1
MolPort-046-687-739	0.75	OC(=O)C1CCC2(CCC2)O1
MCULE-4693672414	0.75	CC1C(C)C2(OC(C(O)=O)CCC2)CO1
MCULE-9618935044	0.75	CCC1OCC2(OC(C(O)=O)CCC2)C1
MCULE-8514404301	0.75	CC1OCC2(OC(C(O)=O)CCC2)C1
MCULE-5689803817	0.75	CC1OCC2(OC(C(O)=O)CC2)CC1
MCULE-1253470700	0.75	CCC1C2(OC(C(O)=O)CCC2)COC1
MCULE-5179205560	0.75	CC1OCC2(OC(C(O)=O)(C)CC2)CC1
MCULE-1673723217	0.75	CC1C2(OC(C(O)=O)CCC2)COC1
MCULE-1096349828	0.75	C12(COCC1C(C)C)OC2C(OC)=O
MCULE-4506985395	0.75	C12(COC(C)C1C)OC2(C)C(OC)=O
MCULE-6403686255	0.75	C12(COC(C)C1C)OC2C(OC)=O
MCULE-9197441194	0.75	C12(COCC1CC)OC2C(OC)=O
MCULE-5024765104	0.75	C1(C)(C(OC)=O)OC21COCC2CC
MCULE-6741904351	0.75	C12(COCC1C(C)C)OC2(C)C(OC)=O
MCULE-3612590210	0.75	C1(CCCCC1)(OC1CCCCC1)C(O)=O
MCULE-7462385264	0.75	CC1(OC(C=O)CCC1)CC1OCCC1
MCULE-3782101133	0.75	O[C@H]1[C@@H](O)C[C@H](C(O)=O)OC1
MCULE-2413563916	0.75	O1C23C4(CCC(C4(C)CCC2C2(C1O)CCC(O)CC2(O)CC3)C(CO)=O)[H]
MCULE-3684210723	0.75	O=CC1(OC2CCOCC2)CCCCC1
MCULE-6567370225	0.75	C1(C)(C(OCC)=O)OC21CCOC(C)C2
MCULE-2503736034	0.75	C12(CCOC(C)(C)C1)OC2C(OCC)=O
MCULE-1776498852	0.75	CCC1OCC(CC(O)=O)(O)C1
MCULE-3051643530	0.75	CC(C(C1(C(C)C(C)OC1)O)C(O)=O)C
MCULE-3192845978	0.75	CCC1OCC(C(C(O)=O)(C)C)(O)C1
MCULE-1764455571	0.75	O=CC1OC(C2OCCCC2)CC1
MCULE-6378048571	0.75	CC1(C=O)OC(C2OCCCC2)CC1
MCULE-5911233463	0.75	CC(C1OCC(C(C(O)=O)C)(O)C1)C
MCULE-7799687476	0.75	CCC(C1(C(C)C(C)OC1)O)C(O)=O
MCULE-1371380529	0.75	CC(C1OCC(CC(O)=O)(O)C1)C
MCULE-3613041486	0.75	CC(C1OCC(C(C(O)=O)(C)C)(O)C1)C
MCULE-3516873778	0.75	CCC1OCC(C(C(O)=O)C)(O)C1
MolPort-035-930-686	0.75	OC(=O)C12CCC(CC1)O2
MolPort-046-764-540	0.75	O[C@@H]1C[C@]2(O)C[C@@H](OC2=O)[C@@H]1O
MolPort-046-699-030	0.75	O[C@@H]1CO[C@H](C[C@@H]1O)C(O)=O
MolPort-046-699-543	0.75	O[C@@H]1CO[C@@H](C[C@@H]1O)C(O)=O
MolPort-027-456-778	0.75	CCOC(=O)C1OC11CCOC(C)(C)C1
MolPort-002-507-051	0.75	CCOC(=O)[C@@H]1O[C@@]11CCOC(C)(C)C1
MolPort-046-790-826	0.75	COC(=O)C12OC1C1CCCC21
MolPort-001-943-411	0.75	CCOC(=O)C1(C)OC11CCOC(C)C1
MolPort-039-052-420	0.74	CC(C)(O)[C@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-039-052-508	0.74	CC(C)(O)[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-046-791-555	0.74	CCOC(=O)C1[C@@H]2CO[C@@H](C[C@H]12)C(O)=O
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