Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-044-755-254	0.89	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
MCULE-6030396416	0.89	CC1(C2C3OC(CC3)C2)OCC(=O)C1
MCULE-1667669377	0.89	O=C1CC2(CCOCCC2)OC1
MCULE-9618096679	0.88	O1C23C4CCC(C4(C)CCC2C2(C1)CCC(O)CC2(O)CC3)C(C)=O
MCULE-8523266501	0.87	O=C1CC(C2COCC2)OC1
MCULE-8877642910	0.87	CCC1(C2COCC2)OCC(=O)C1
MCULE-7656746901	0.87	COC1CC2(OCC(=O)C2)CCC1
MCULE-1385066007	0.87	CC1(C2COCC2)OCC(=O)C1
MCULE-7018580812	0.86	O1C23C4CCC(C4(C)CCC2C2(C1)CCC(O)CC2(O)CC3)C(O)=O
MCULE-3185019013	0.86	CC1(OC(C=O)CC1)CC1OCCC1
MCULE-6497106589	0.86	CC1(OC(C=O)(C)CC1)CC1OCCC1
MolPort-044-615-275	0.86	OC(=O)C12OC3C4COCC3C1C24
MCULE-6589237358	0.84	O=C1C2C3CC1CC3CO2
MCULE-5989731013	0.84	CC1(OC(C=O)CC1)CC1COCC1
MCULE-6259484078	0.84	CCOC1CCC2(OC(C=O)CC2)CC1
MCULE-6949840333	0.84	CC1(OC(C=O)(C)CC1)CC1COCC1
MolPort-039-240-502	0.84	O=C1[C@@H]2C[C@@H]3CO[C@H]1[C@H]3C2
MolPort-039-240-173	0.84	O=C1C2CC3COC1C3C2
MCULE-7920936391	0.83	O=C1CC(C2COCCC2)OC1
MCULE-4913438023	0.82	COC(CC1(OCC(=O)C1)C)(C)C
MCULE-2539475671	0.82	COC(CC1OCC(=O)C1)(C)C
MCULE-7471077452	0.82	CC1(OCC(=O)C1)CC1OCCC1
MCULE-7462385264	0.82	CC1(OC(C=O)CCC1)CC1OCCC1
MCULE-3684210723	0.82	O=CC1(OC2CCOCC2)CCCCC1
MCULE-4168575272	0.81	C12C3C4C5OC3(C=O)C3C6CCC7OC(C=O)(C1C4CC5)C(C67)C23
MCULE-2413563916	0.81	O1C23C4(CCC(C4(C)CCC2C2(C1O)CCC(O)CC2(O)CC3)C(CO)=O)[H]
MCULE-1272055136	0.81	C1C(O)C(O)C2(C(OC)=O)C(C(=O)C)OC1C2C
MolPort-046-697-159	0.81	COC(=O)C12C(C)C(CC(O)C1O)OC2C(C)=O
MCULE-6522163674	0.80	CC1OC(C)CC2(OCC(=O)C2)C1
MCULE-3306099590	0.80	CC1OCCC2(OCC(=O)C2)C1
MCULE-3535004327	0.80	COC1CC2(OCC(=O)C2)C1
MCULE-6891329829	0.80	CCOC1CC2(OCC(=O)C2)C1
MCULE-1352265029	0.80	COC1C2(CCC2)C2(OCC(=O)C2)C1
MCULE-2694601746	0.80	CCC1(OCCC2(OCC(=O)C2)C1)C
MCULE-2703475510	0.80	CC1(OCCC2(OCC(=O)C2)C1)C
MCULE-4215886915	0.80	CCC1OCCC2(OCC(=O)C2)C1
MCULE-2029718039	0.80	CC(C1OCCC2(OCC(=O)C2)C1)C
MCULE-9468007646	0.80	CCCC1OCCC2(OCC(=O)C2)C1
MCULE-2753357821	0.80	[C@@]123CC(O)CC[C@]1(C)C1CC[C@]4(C(CC5C4(CCCC5)C(C)=O)C1C[C@H]2O3)C
MCULE-8488384745	0.80	C123CC(CCC1(C)C1CCC4(C)C5(C(CCCC5)CC4C1CC2O3)C(=O)C)O
MCULE-6020139613	0.80	CC1(OC(C=O)CCC1)CC1COCC1
MCULE-1735653575	0.80	O=C(C1OCCC1)CC1CC2C(C2)C1
MCULE-8617715608	0.80	[C@]123C[C@@H](O)CC[C@]1(C)C1CC[C@]4(C(CCC4=O)[C@@]1(C[C@@H]2O3)[H])C
MCULE-3004543790	0.80	CC1(C(CC2CC3C(C3)C2)=O)OCCC1
MCULE-3894042181	0.80	C12(C)CCC3CC1(C=O)OCC23C
MCULE-4474181666	0.80	CC1(C=O)OC(C2CC3C(C3)C2)CC1
MCULE-9123590356	0.80	O=CC1OC(C2CC3C(C3)C2)CC1
MCULE-2364349686	0.80	O1C2CC3C4CCC(C4(C)CCC3C3(C)CCC(O)CC132)=O
MCULE-4197387273	0.80	CC1OC(C(CC2CC3C(C3)C2)=O)CC1
MCULE-3950750552	0.80	O=CC1OC2(CC3CC(CC3)C2)CC1
MCULE-9422576702	0.80	CC1(C=O)OC2(CC3CC(CC3)C2)CC1
MCULE-2355101703	0.80	CC1C(C(CC2CC3C(C3)C2)=O)OCC1
MolPort-002-536-230	0.80	CC(=O)C12CCCCC1CC1C3C[C@H]4O[C@]44CC(O)CC[C@]4(C)C3CC[C@]21C
MolPort-046-596-480	0.80	C[C@]12CCC3C(C[C@@H]4O[C@@]44CC(O)CC[C@]34C)C1CCC2=O
MolPort-046-596-266	0.80	CC(=O)C12CCCCC1CC1C3C[C@@H]4O[C@@]44CC(O)CC[C@]4(C)C3CC[C@]21C
MolPort-002-512-208	0.80	CC(=O)[C@@]12CCCC[C@H]1CC1[C@@H]3C[C@@H]4O[C@@]44C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
MolPort-002-509-138	0.80	C[C@]12CCC3[C@@H](C[C@@H]4O[C@@]44C[C@@H](O)CC[C@]34C)C1CCC2=O
MolPort-028-750-193	0.79	O=C1CCCC11CCCO1
MolPort-046-647-348	0.79	COCC(=O)[C@@H]1CCCO1
MCULE-4470386600	0.79	CC1(OC(C(O)=O)CC1)CC1OCCC1
MCULE-8080732496	0.79	C1C2OC(C(=O)CCC2)C1
MCULE-8141832226	0.79	CC1(OC(C=O)CC1)CC1CCCC1
MCULE-1654894680	0.79	O=CC1OC(C2C3CCC(CC3)C2)CC1
MCULE-7873072929	0.79	CC1(OC(C=O)(C)CC1)CC1CCCC1
MCULE-5377369137	0.79	CC1(OC(C=O)CC1)CC1CCCCC1
MCULE-4566201442	0.79	C(C)(=O)OC1CCC23C4CCC5(C)C(CCC5(C4(CCC2(O)C1)OC3=O)[H])C(COC(C)=O)=O
MCULE-6766250384	0.79	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-3628684553	0.79	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
MolPort-044-755-242	0.79	CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(C)=O)[C@@H]3C[C@@H]3O[C@]23C1
MolPort-044-755-258	0.79	CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(C)=O)[C@@H]3C[C@H]3O[C@@]23C1
MolPort-039-052-645	0.79	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-046-598-018	0.78	C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]11CC(CO)(CC([O-])=O)CO1
MCULE-1863647282	0.78	COC(C1C(=O)COC1C1COCC1)=O
MCULE-7852813197	0.78	CCOC1CCC2(OCC(=O)C2)CC1
MCULE-8836215555	0.78	O=C1CCC2(C)C3CCC4(C)CCCC4C3CCC32C1O3
MCULE-7805854550	0.78	O=C1C(C)(C)C2(CCC3(C)C4(C)CCC5(C)CCC(C(C)C)C5(C4(CCC3C2(C)C2C1O2)[H])[H])[H]
MCULE-6068702710	0.78	O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC32C1O3)=O
MCULE-2785747895	0.78	O=C1C2C(C3(C)C4CCC5(C)CCCC5C4CCC3(C1)[H])O2
MCULE-6457837154	0.78	O=C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC32C1O3
MCULE-3223508590	0.78	CC1(OCC(=O)C1)CC1COCC1
MCULE-7198781147	0.78	[C@@H]12[C@@]3(C)C(CC(=O)[C@@H]1O2)CCC1C3CC[C@]2(C1CCC2=O)C
MCULE-2796067749	0.78	COC1CCC2(OCC(=O)C2)CC1
MCULE-4766078438	0.78	O=C1CCC23C4CCC5(C)C(CCC5C4(CCC2(O)C1)OC3O)C(CO)=O
MCULE-5987300664	0.78	C(C)(=O)OC1CCC23C4CCC5(C)C(CCC5C4(CCC2(O)C1)OC3)C(OCC)=O
MCULE-8972726907	0.78	OC(C1OC2(CCOCC2)CC1)=O
MolPort-003-801-567	0.78	C[C@]12CCC3C(CCC4CC(=O)[C@@H]5O[C@@H]5[C@]34C)C1CCC2=O
MolPort-046-687-487	0.78	OC(=O)C1CCC2(CCOCC2)O1
MolPort-002-327-336	0.77	CC(C)COC1C(CCC(O)=O)CCCC1=O
MCULE-6474870676	0.77	CC1(C=O)OC2(C3(CCCC3)CC2)CC1
MCULE-5266251860	0.77	O=CC1OC2(CCC3(CC3)CC2)CC1
MCULE-2941198887	0.77	O=C(C1CC(=O)CCC1)C1OCCC1
MCULE-5822889551	0.77	O=CC1OC2(C3(CCCCC3)CC2)CC1
MCULE-8441184593	0.77	O=CC1OC2(C3(CCCC3)CC2)CC1
MCULE-7427472470	0.77	O=CC1OC2(C(C3CC3)CCCC2)CC1
MCULE-5643166567	0.77	COC(C1C2(C3C(C3)CC2)OCC1=O)=O
MCULE-4929571074	0.77	COC1CC2(C(C(OC)=O)C(=O)CO2)C1
MCULE-8969661886	0.77	O=CC1(OC2CCCC2)CCCCC1
MCULE-7329065919	0.77	CC(C1OCC(C(C(O)=O)(O)C)C1)C
MCULE-6138871119	0.77	CC(C1OCC(C(C(O)=O)O)C1)C
MCULE-2590293942	0.77	CC(C(C(O)=O)(C1C(C)C(C)OC1)O)C
MCULE-2190605238	0.77	CCC(C(O)=O)(C1C(C)C(C)OC1)O
MCULE-1067418427	0.77	CCC1OCC(C(C(O)=O)(O)C)C1
MCULE-6361775471	0.77	CCC1OCC(C(C(O)=O)O)C1
MCULE-1834027873	0.77	CC1(C=O)OC2(CCC3(CC3)CC2)CC1
MCULE-2691107149	0.77	C1(C(CCCC1=O)CCC(O)=O)OCC(C)C
MolPort-009-758-568	0.77	O.O.O.[Na+].C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]11C[C@](CO)(CC([O-])=O)CO1
MolPort-046-697-158	0.76	CC1C2CC(O)C(OCC(O)C(O)C(O)C(O)CO)C1(C(O2)C(C)=O)C(O)=O
MCULE-1635612199	0.76	COC(C1C2(CC(C)CC2)OCC1=O)=O
MCULE-8684762811	0.76	O1C23C4CCC(C4(C)CCC2C2(C1OC)CCC(O)CC2(O)CC3)C(CO)=O
MCULE-9848830905	0.76	COC(C1C(=O)COC1C1CCCC1)=O
MCULE-9426464783	0.76	COC(C1C2(CCCCC2)OCC1=O)=O
MCULE-1540848436	0.76	COC(C1C2(C(C)CCC2)OCC1=O)=O
MCULE-8890209545	0.76	COC(C1C2(CCCC2)OCC1=O)=O
MCULE-2811073907	0.76	C1C(O)C(OCC(O)C(C(O)C(CO)O)O)C2(C(O)=O)C(C(=O)C)OC1C2C
MCULE-4572620582	0.76	CC1C(CC2(CCCCC2)O)C(=O)CO1
MCULE-5343627440	0.76	CC1C(C2C(O)(C)CCC2)C(=O)CO1
MCULE-8015373769	0.76	CC1C(C2C(O)CCC2)C(=O)CO1
MCULE-6572623476	0.76	CC1C(C2C(O)CCCC2)C(=O)CO1
MCULE-2559656865	0.76	O=C1CC2(C3(CCOCC3)CCC2)OC1
MCULE-9227045931	0.76	CC1C(C2C(O)(C)CCCC2)C(=O)CO1
MCULE-3320833832	0.76	CC1C2(OCC(=O)C2)CCOC1
MCULE-8411199777	0.76	CC1C(CC2(CCCC2)O)C(=O)CO1
MCULE-1275804043	0.76	CC1C(C2(C(O)(C)CCC2)C)C(=O)CO1
MCULE-1393037586	0.76	C12(CCCO1)CCOCC2=O
MCULE-2525840784	0.76	C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CC3C2(C1)O3)C(C)=O)OC(C)=O
MCULE-1185168922	0.76	CCCC1C2(OC(C=O)(C)CC2)COC1
MCULE-5984426924	0.76	CC(C1OCC2(OC(C=O)(C)CC2)C1)C
MCULE-6619078855	0.76	CCC1OCC2(OC(C=O)(C)CC2)C1
MCULE-9418650075	0.76	CC1C2(OC(C=O)CC2)COC1
MCULE-3927219141	0.76	CCC1OCC2(OC(C=O)CC2)C1
MCULE-6551696049	0.76	CC1C(C)C2(OC(C=O)(C)CC2)CO1
MCULE-7392015266	0.76	CCC1C2(OC(C=O)CC2)COC1
MCULE-8268837507	0.76	O=C1CCC2(C)C3C(CC4(C)C(CCC4C3CCC32C1O3)C(C)=O)OC(C)=O
MCULE-9843633999	0.76	CCCC1C2(OC(C=O)CC2)COC1
MCULE-9804728228	0.76	CCC1C2(OC(C=O)(C)CC2)COC1
MCULE-1249557418	0.76	OC12CC3(C(OCC(COC(C45CC6CC(C4)(CC(C6)C5)O)=O)=O)=O)CC(C1)CC(C3)C2
MCULE-8692865318	0.76	O1C2CC3C4CCC(C4(C)CCC3C3(C)CCC(O)CC132)C(COC(C)=O)=O
MCULE-9218141999	0.76	CC(C1C2(OC(C=O)(C)CC2)COC1)C
MCULE-3468006574	0.76	CC(C1C2(OC(C=O)CC2)COC1)C
MCULE-4344954004	0.76	CC1C2(OC(C=O)(C)CC2)COC1
MCULE-6045410808	0.76	CC1C(C)C2(OC(C=O)CC2)CO1
MCULE-2865011024	0.76	CC1OCC2(OC(C=O)(C)CC2)C1
MCULE-9409997812	0.76	[C@H]1(C[C@H]2O[C@@H]1C(C2)=O)C(O)=O
MCULE-1847471117	0.76	[C@@H]1(C[C@H]2O[C@@H]1C(C2)=O)C(O)=O
MCULE-7816788663	0.76	CC(C1OCC2(OC(C=O)CC2)C1)C
MCULE-7504722867	0.76	CC1OCC2(OC(C=O)CC2)C1
MCULE-8140752933	0.76	O=C1C23C4CCC5(C)C(CCC5C4(CCC2(O)CC(O)CC3)O1)C(O)=O
MCULE-7177289219	0.76	C12OC1CC(C)(C)CC2=O
MCULE-4567583389	0.76	O=C(C1OCCC1)CC1CC2C(C2)CC1
MCULE-5876104796	0.76	CC1C(CC2C(O)CCCC2)C(=O)CO1
MCULE-7687787396	0.76	CCCCCC1OC1CC1OC1CCCCCCCC(O)=O
MCULE-1347044938	0.76	O=C1CC(C2C3CC(CC3)C2)OC1
MCULE-7163303661	0.76	CC1(C2C3CC(CC3)C2)OCC(=O)C1
MCULE-4614386905	0.76	COCCC1(OCC(=O)C1)C
MCULE-3463994724	0.76	C1C(=O)C2OC2(C)CC1(C)C
MCULE-3016759697	0.76	COC1CC(C2C(=O)COC2C)CCC1
MCULE-4116245492	0.76	O=C(C1OCCC1)C1CC(=O)CC1
MCULE-7562289301	0.76	O=C1C(CCC2OCCC2)COC1
MCULE-8942435129	0.76	CC1(C=O)OC(C2CC3C(C3)CC2)CC1
MCULE-6702841332	0.76	O=C1CC2(C3CC(CC3)C2)OC1
MCULE-9126653492	0.76	O=C1CC2(C3(CCCCC3)CCC2)OC1
MCULE-8132515149	0.76	O=C1CC2(C3(CCCC3)CCCC2)OC1
MCULE-5446705789	0.76	CC1C(CCC2OCCC2)C(=O)CO1
MCULE-8442177926	0.76	O=CC1OC(C2CC3C(C3)CC2)CC1
MCULE-3905753710	0.76	[C@]12(C)[C@@]3(C)CCCC(C)(C)C3CC(=O)[C@]1(O2)C
MCULE-2514680995	0.76	O=C1CC2(CCC3(CCCC3)CC2)OC1
MCULE-6357222736	0.76	COCC(C1OCC(=O)C1)C
MolPort-003-211-156	0.76	OC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)COC(=O)C12CC3CC(CC(O)(C3)C1)C2
MolPort-042-556-650	0.76	OC(=O)[C@@H]1C[C@@H]2CC(=O)[C@H]1O2
MolPort-044-755-224	0.76	C[C@@]12CCC[C@H]1[C@@H]1CC(=O)[C@]34O[C@H]3CCC[C@]4(C)[C@H]1CC2
MolPort-046-588-272	0.76	CCCCCC1OC1CC1OC1CCCCCCCC(O)=O
MolPort-006-123-595	0.76	CC12CCCC(=O)C1O2
MolPort-029-866-217	0.76	OC(=O)C1CCC(CC1)OC1CCOCC1
MolPort-030-082-483	0.76	C[C@]12O[C@@]1(C)[C@@]1(C)CCCC(C)(C)C1CC2=O
MolPort-001-763-313	0.76	CC12CC(C)(C)CC(=O)C1O2
MCULE-4975782961	0.75	C1(CC)(C(OC)=O)C2(O1)CCCOCC2
MCULE-4876696376	0.75	CCC1C2(OC(C=O)CC2)CCCCC1
MCULE-3275170163	0.75	CC1(OC(C(O)=O)CC1)CC1COCC1
MCULE-3857914843	0.75	C123CCC(CC1(C)C1C(C4C(C)CC(C(C)=O)C4(CC1)C)CC2O3)O
MCULE-7391486458	0.75	C(C(OCC)=O)(C(OCC)=O)C(=O)C1CCCO1
MCULE-2933343268	0.75	[C@]123CCC(C[C@]1(C)C1C(C4C(C)CC(C(C)=O)[C@]4(CC1)C)C[C@@H]2O3)O
MCULE-6346924981	0.75	CC(C(O)=O)(C1CC(C2CC2)OC1)O
MCULE-6979364753	0.75	CC1C2(OC(C=O)(C)CC2)CCCCC1
MCULE-5285511098	0.75	CC1C2(OC(C=O)CC2)CCCCC1
MCULE-9327406191	0.75	OC(C(O)=O)C1CC(C2CC2)OC1
MCULE-5378991050	0.75	C(C)(=O)OC1CCC23C4CCC5(C)C(CCC5C4(CCC2(O)C1)OC3=O)C(O)=O
MCULE-4816619944	0.75	O=CC1OC2(CC(C3CC3)OC2)CC1
MCULE-8421629880	0.75	CC1(C=O)OC2(CC(C3CC3)OC2)CC1
MolPort-046-419-783	0.75	OC(=O)C12CC(CO1)CCC2
MolPort-044-195-722	0.75	O=C1CCCC11CCCCO1
MolPort-002-691-851	0.75	CC1CC(C(C)=O)[C@@]2(C)CCC3C(C[C@@H]4O[C@@]44CCC(O)C[C@]34C)C12
MolPort-002-301-269	0.74	CC(C)COC1C(CC(O)=O)CCCC1=O
MolPort-002-536-158	0.74	CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCCC45C(C)=O)C3C[C@@H]3O[C@]23C1
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