Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-039-338-255	0.85	C[C@]12CCC[C@]3(OC1=O)[C@@H]2CC[C@@]12C[C@H](CC[C@]31C)C(=C)C2
MolPort-046-761-510	0.83	CC12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@](O)(CC[C@H]4[C@@]3(CC[C@@H]1O)OC2=O)C(=C)C5O
MCULE-3998592213	0.83	C123CCC(O)C(C(=O)O1)(C)C2([H])C(C12CC(C(C1)(O)CCC23[H])=C)C(=O)O
MolPort-035-706-167	0.82	C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)CC[C@@H]12
MCULE-2873628166	0.82	[C@@]12([H])CC[C@H](O)[C@@]1(C)C[C@@H]1C(=C)C(=O)O[C@H]1C[C@H]2C
MCULE-7238325614	0.82	C1C[C@@]23[C@]([C@]([C@H]1O)(C)C(=O)O2)([H])[C@H](C(=O)O)[C@@]12CC(=C)[C@@]([H])(C1)CC[C@@]32[H]
MolPort-001-742-424	0.81	C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)[C@@H](O)CC12
MCULE-6599042408	0.81	[C@@]12(C)[C@@H](O)[C@H](CC1[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(O1)=O)O
MCULE-3747126841	0.80	C1C[C@@]23OC(=O)[C@](C)([C@]2([H])CC(=O)[C@]2([H])C[C@@](C=C)(C)CC[C@]23C)C1
MCULE-8011378409	0.80	C1C[C@]2([C@]3([H])[C@@H](OC(=O)C)C[C@@]4(O)C(C([C@@]3(C4)CC[C@]2([H])[C@@](CO)(C)C1)=O)=C)C
MCULE-7007682454	0.80	[C@]12(C)C[C@@H]3C(=C)C(=O)O[C@@H]3C[C@H](C)[C@]1([H])CC(=O)[C@@H]2O
MCULE-8209146843	0.80	[C@@H]1(O)C[C@]2(C)C[C@@]3([H])OC(=O)[C@@H](C)[C@@]3([H])C[C@@]2([H])C(=C)C1
MolPort-039-338-133	0.80	C[C@@]12CCC[C@@]3(OC1=O)[C@H]2CC(=O)[C@@H]1C[C@@](C)(CC[C@@]31C)C=C
MolPort-035-705-877	0.80	CC(=O)O[C@H]1C[C@]2(O)C[C@@]3(CC[C@@H]4[C@](C)(CO)CCC[C@@]4(C)[C@H]13)C(=O)C2=C
MolPort-046-761-513	0.80	C[C@]12[C@H]3O[C@H]3C[C@@]3(OC1=O)[C@@H]1CC[C@]4(O)C[C@]1(CC4=C)[C@H]([C@H]23)C(O)=O
MolPort-035-706-562	0.80	C[C@H]1[C@H]2C[C@H]3C(=C)C[C@H](O)C[C@]3(C)C[C@H]2OC1=O
MolPort-027-853-725	0.80	C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)C(=O)C[C@@H]12
MolPort-001-742-423	0.79	C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1CCC2=O
MolPort-002-513-483	0.79	C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1=C
MolPort-039-052-476	0.79	CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H](CC[C@@]23C)[C@]2(C)CCC(=O)O2)[C@@]1(C)CCC(O)=O
MolPort-046-761-512	0.79	C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@@]3(C[C@H](O)[C@@H]1O)OC2=O)C(=C)C5
MCULE-3993197405	0.79	[C@@]12(C)C(=O)CC[C@@]1([H])[C@H](C)C[C@H]1[C@H](C2)C(=C)C(O1)=O
MCULE-6179991618	0.79	C1(=O)O[C@]2([C@]([H])(CC3[C@](C)(CCC[C@@]43CO4)C2)C1=C)[H]
MCULE-1245334026	0.79	C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@@]3([C@@]([H])([C@@]4(CCC(=O)O4)C)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C)[H]
MCULE-3066550157	0.79	[C@@]12(C)CC[C@@]3(C([C@H](C(C)=C)CC3)[C@@]1([H])CCC1[C@@]2(C)CCC2[C@]1(C)CC[C@H](OC(CCC(O)=O)=O)C2(C)C)C(O)=O
MCULE-8373483440	0.79	CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2([C@]([C@@]4([C@](CC2)(C(=O)O)CC[C@H]4C(=C)C)[H])([H])CC3)C)[H])(C)CC[C@@H]1OC(=O)CC(C)(C(=O)O)C)C
MolPort-000-803-190	0.79	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-006-170-151	0.79	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-001-742-436	0.78	C[C@@]1(O)CC[C@H]2[C@H]1CC1[C@H](CC2=C)OC(=O)C1=C
MolPort-001-740-925	0.78	CC(=O)O[C@H]1C(=C)C2C[C@@]11CCC3[C@@](C)(CCC[C@@]3(C)C(O)=O)C1CC2
MolPort-044-755-265	0.78	CC(=O)O[C@@H]1C(=C)[C@H]2C[C@@]11CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(O)=O)[C@@H]1CC2
MCULE-9964052623	0.78	C1(=O)O[C@@H]2C(C[C@@]3([C@]([H])(CC[C@@]3(C)O)C(=C)C2)[H])C1=C
MCULE-9495313349	0.78	[C@@]12(C)C(=O)CC[C@@]1(O)[C@@H](C)CC[C@]1([H])[C@@]2([H])OC(C1=C)=O
MCULE-4045639684	0.78	C12(C)C(=O)CCC1(O)C(C)CCC1C2OC(C1=C)=O
MCULE-1298920669	0.78	C1(=O)OC2C(CC3(C(C)(CCCC3=C)C2)[H])C1=C
MCULE-6570626188	0.78	C1(C(O[C@]2([H])C[C@]3([C@@]([H])(C[C@@]21[H])[C@]3([H])CCC(O)C)C)=O)=C
MCULE-4508036866	0.78	[C@]12(C)C[C@H]3OC(C(=C)[C@H]3C[C@]1([C@]2([H])CCC(C)=O)[H])=O
MCULE-7284631582	0.78	O=C1C(=C)[C@@]2([H])C[C@@]3([C@@](C[C@@]2([H])O1)(C)[C@H]3CCC(=O)C)[H]
MCULE-8316292329	0.78	C1(=O)O[C@H]2[C@H](C[C@@]3([C@](C)(CCCC3=C)C2)[H])C1=C
MCULE-7304039848	0.78	C1C[C@]2(C)C[C@@]3([H])OC(=O)C(=C)[C@@]3([H])C[C@@]2([H])C(=C)C1
MolPort-010-969-190	0.78	CC1CCC2C(OC(=O)C2=C)C2(C)C(=O)CCC12O
MolPort-035-706-212	0.78	CC12CC[C@@H]3[C@H](OC(=O)C3(C)C)C(=C)CCC1O2
MolPort-005-945-004	0.78	CC(O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C
MolPort-001-742-430	0.78	CC(=O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C
MolPort-002-512-334	0.78	C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1=C
MolPort-035-705-883	0.77	CC1(C)CCC[C@]2(COC(=O)[C@@]34C[C@@H](C[C@@H](O)[C@@H]23)C(=C)C4=O)[C@@H]1C=O
MolPort-035-705-878	0.77	CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]13C[C@@](O)(C[C@H](OC(C)=O)[C@@H]21)C(=C)C3=O
MolPort-007-980-881	0.77	CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-039-338-354	0.77	COC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(CO)CC2)C(C)=C
MolPort-002-525-792	0.77	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-038-386-613	0.77	CC(=C)C1CCC2(CCC3(COC(C)=O)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12)C(O)=O
MolPort-002-801-253	0.77	COC(=O)C12CC[C@H](C1C1CCC3[C@@]4(C)CCC(OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
MolPort-035-683-181	0.77	CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(CO)CC[C@@]32C)C(C)=C)C1(C)C
MolPort-046-703-034	0.77	C=C1CC2(CCCCC2)OC1=O
MCULE-6061453971	0.77	C1C[C@]2([C@]3([H])[C@@H](OC(=O)C)C[C@@]4(O)C(C([C@@]3(C4)[C@H](O)C[C@]2([H])[C@@](COC(=O)C)(C)C1)=O)=C)C
MCULE-5956894545	0.77	C123C(O)CCC(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O
MCULE-8015641642	0.77	C1CC2(C)C3CCC4C5C(C(C)=C)CCC5(C(=O)O)CCC4(COC(=O)C)C3(C)CCC2C(C)(C)C1O
MCULE-6886775784	0.77	[C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1[C@@]2(C)CCC2[C@]1(C)CCC(OC(C)=O)C2(C)C)C(OC)=O
MCULE-2907347364	0.77	CC(OC1C23C(C(O)C4C(C)(C)C5CC(=O)C4(CO5)C2CCC(C3)C1=C)=O)=O
MCULE-5499340037	0.77	CC(=O)O[C@H]1[C@@]23C(=O)[C@@H](O)[C@]4([H])C(C)(C)[C@@]5([H])CC(=O)[C@@]4(CO5)[C@]2([H])CC[C@@]([H])(C1=C)C3
MCULE-3429356119	0.77	CC1([C@H]2CC(=O)[C@]3(CO2)[C@@H]1[C@@H](C([C@]12[C@H](OC(=O)C)C(=C)[C@@H](CC[C@H]13)C2)=O)O)C
MolPort-028-754-172	0.77	CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]11[C@@H](CC2)[C@]23CO[C@H](CC2=O)C(C)(C)[C@H]3[C@H](O)C1=O
MCULE-1605621815	0.76	C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@@H](C(=C)C)O4)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C
MCULE-5323981543	0.76	C1C2(O)COC(=O)C2C(C(O)C(=C)C(=O)O)C(C(C)C)C1
MolPort-035-706-353	0.76	CC(=C)[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]21C)C(C)=C
MolPort-042-675-451	0.76	CC(C)C1CCC2(O)COC(=O)C2C1C(O)C(=C)C(O)=O
MolPort-042-644-764	0.75	CC(=O)OCC12CCC(C1C1CCC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
MolPort-007-980-880	0.75	CC(=O)OCC12CC[C@H](C1C1CCC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
MolPort-002-524-287	0.75	CC(=O)OC[C@]12CC[C@H](C1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
MolPort-002-526-756	0.75	CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@@H]2C4[C@@H](CC[C@@]4(CC[C@@]32C)C=O)C(C)=C)C1(C)C
MolPort-001-742-405	0.75	C\C=C(\C)C(=O)O[C@@H]1C(=C)C2CC11CCC3[C@@](C)(CCC[C@@]3(C)C(O)=O)C1CC2
MolPort-038-386-084	0.75	CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)CC2O)C(=C)C5
MolPort-023-274-354	0.75	CC(=O)CCC[C@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O
MCULE-6837878494	0.75	C12C(C(=C)C)CCC1(COC(=O)C)CCC1(C)C3(C)CCC4C(C)(C)C(CCC4(C)C3CCC21)=O
MCULE-9145801664	0.75	C123CCC4[C@@](C)(CCC[C@@]4(C)C(O)=O)C1CCC(C(=C)[C@H]2OC(=O)/C(/C)=C\C)C3
MCULE-4831133913	0.75	C123C(O)CC(C(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O)O
MCULE-2046245375	0.75	C1(=O)O[C@H]2[C@H](CC([C@](C)(CCCC(C)=O)C2)=O)C1=C
MCULE-4347835968	0.75	[C@@]12([H])CC[C@H](O)[C@@]1(C)[C@@H](O)[C@@H]1C(=C)C(=O)O[C@H]1C[C@H]2C
MCULE-9718510983	0.75	[C@@]123C[C@@]4([H])[C@](C[C@@]1(C)CCC[C@]2(O3)C)([H])OC(=O)C4=C
MCULE-1501922749	0.75	[C@@]12(C)[C@H](O)C[C@H](O)[C@@]1([H])C(C)C[C@@H]1OC(=O)C(=C)[C@H]1C2O
MolPort-002-513-613	0.75	C[C@@]12CCC[C@]3(C)C[C@H]4OC(=O)C(=C)[C@H]4C[C@@]13O2
MolPort-035-705-881	0.75	CC(=O)O[C@H]1C[C@@H]2[C@]3([C@H](O)[C@@H]1C(=C)C3=O)[C@H](O)C[C@@H]1C(C)(C)CC[C@H](O)[C@@]21C
MolPort-002-526-830	0.75	CC1C[C@@H]2OC(=O)C(=C)[C@H]2C(O)[C@]2(C)[C@H](O)C[C@H](O)[C@@H]12
MolPort-035-706-168	0.75	C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@]2(C)[C@@H](O)CC[C@@H]12
MolPort-038-386-083	0.74	CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)C(O)C2O)C(=C)C5
MolPort-023-274-350	0.74	C[C@]12CCCC(=C)[C@]1(O)C[C@H]1[C@@H](C2)OC(=O)C1=C
MolPort-019-992-810	0.74	C=C1CCC2C1C1OC(=O)C(=C)C1CCC2=C
MolPort-006-822-624	0.74	C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C
MolPort-002-746-632	0.74	CC12CC3OC(=O)C(=C)C3CC1C(=C)C(O)CC2O
MolPort-029-943-133	0.74	CC12CCCC(=C)C1(O)CC1C(C2)OC(=O)C1=C
MolPort-028-600-138	0.74	C[C@H]1CCC[C@@H]2C[C@@]3(C[C@]12C)C(=C)COC3=O
MCULE-1480212854	0.74	C123C(O)C(O)C(C(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O)O
MCULE-4426803651	0.74	C12(C)C(O)CC(C(=C)C1CC1C(OC(C1=C)=O)C2)O
MCULE-2410723097	0.74	[C@]12([H])C(=C)CC[C@@]1([H])C(=C)CC[C@@]1([H])C(C(=O)O[C@]21[H])=C
MCULE-4077568356	0.74	[C@]12(O)C(CCC[C@]1(C)C[C@@H]1[C@H](C2)C(=C)C(O1)=O)=C
MCULE-6609866523	0.74	[C@@H]12[C@]3([H])C(=C)CC[C@@]3([H])C(CC[C@H]1C(C(=O)O2)=C)=C
MCULE-3773780560	0.74	C1CC2(C)CC3OC(=O)C(=C)C3CC2(O)C(=C)C1
MCULE-1084105274	0.74	O1C(C(=C)[C@H]2CCC(=C)[C@H]3CCC(=C)[C@H]3[C@H]12)=O
MCULE-3657815830	0.74	[C@@H]12[C@@]3([H])C(=C)CC[C@@]3([H])C(CC[C@H]1C(C(=O)O2)=C)=C
MCULE-2503470402	0.74	C1C[C@]2([H])C[C@]3(C(=C)COC3=O)C[C@]2(C)[C@@H](C)C1
MCULE-4724847409	0.74	[C@@]12(C)[C@H](O)C[C@H](OC(C)=O)[C@@]1([H])[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2OC(C)=O
MCULE-2167149407	0.74	[C@@]12([H])[C@@H](OC(=O)C)C[C@H](O)[C@@]1(C)[C@@H](OC(C)=O)[C@@H]1C(=C)C(=O)O[C@H]1C[C@H]2C
MCULE-7668130081	0.74	[C@]12(C)C[C@H](C(C(=O)O)=C)[C@H]3O[C@@]1([C@@H](C)C3)CCC2=O
MCULE-7605717253	0.74	C1CC2(C)C(CC(CC2OC(CC(C)CC)=O)C(C(=O)O)=C)C(C1)=C
MCULE-1256663608	0.74	C1(=O)CC2(C)C(CCC(C)CCOC(=O)C)C(=C)CCC2C(C)(C)C1
MolPort-002-524-486	0.74	C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@H](O)C[C@H](OC(C)=O)[C@@H]12
MolPort-039-338-339	0.74	C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)[C@@H]12
MolPort-027-853-726	0.74	C[C@H]1C[C@@H]2O[C@]11CCC(=O)[C@@]1(C)C[C@@H]2C(=C)C(O)=O
MolPort-001-742-428	0.74	C[C@@]12C[C@H]3OC(=O)C(=C)[C@H]3CC1C(=C)CC[C@H]2O
MolPort-019-937-225	0.74	CCC(C)CC(=O)OC1CC(CC2C(=C)CCCC12C)C(=C)C(O)=O
MolPort-027-853-632	0.74	CC(CCOC(C)=O)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C
MolPort-019-937-286	0.73	OC1CC2C(C3OC(=O)C(=C)C3CCC2=C)C1=C
MolPort-002-527-681	0.73	CC(=C)[C@@H]1CC[C@]2(COC(=O)CCC(O)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
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MolPort-039-242-410	0.61	OC(=O)[C@@H]1CCCO[C@H]1C=C
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MolPort-002-530-312	0.61	CC([NH3+])(CO)CO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
MolPort-002-528-272	0.61	CC(C)([NH3+])CO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
MolPort-019-937-339	0.61	CC1CC(=O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C12
MolPort-003-986-216	0.61	COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
MolPort-042-683-898	0.61	COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)C13
MolPort-006-167-612	0.61	COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23OC2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)C13
MolPort-035-394-839	0.61	COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13
MolPort-006-393-950	0.61	[2H]C([2H])([2H])OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
MolPort-003-720-941	0.61	CCCC12CCC3(CC1CCC3C2=O)OC(C)=O
MolPort-039-052-540	0.61	C[C@]1(CCC[C@]2(C)[C@@H]1[C@H](O)C[C@@]13C[C@H](CC[C@@]21O)C(=C)C3=O)C(O)=O
MolPort-044-195-525	0.61	CCOC(=O)C(C1CCCC1=O)C(C)=O
MolPort-001-510-478	0.61	OC(=O)CCC(=O)OC1CC2CCC1C2
MolPort-046-766-659	0.61	CC1(C)C[C@@H]2[C@H]1C(=O)OC2=O
MolPort-044-750-285	0.61	OC(=O)C1CCC2CC1CO2
MolPort-002-709-008	0.61	C[C@]12CCC3C(CCC4CCCC[C@]34C)C1CC[C@@H]2OC(=O)CCC(O)=O
MolPort-000-708-511	0.61	CCOC(=O)C1CC(=O)C(CC1=O)C(=O)OCC
MolPort-044-878-311	0.61	OC(=O)[C@@H]1CC[C@H]2C[C@@H]1CO2
MolPort-023-220-614	0.61	C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@@]3(CC[C@@H]1O)OC2=O)C(=C)C5.C[C@@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
MolPort-002-801-260	0.61	CC(C)[C@@H]1CC[C@]2(CCOC(=O)CCC(O)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)C12
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MolPort-006-137-049	0.61	CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C
MolPort-014-170-039	0.61	CCOC(=O)CC(=O)CC1CCCO1
MolPort-000-142-069	0.61	O=C1OC(=O)C2CCC12
MolPort-005-935-870	0.61	CCOC(=O)CC(=O)C1CCOC1
MolPort-000-145-424	0.61	CCOC(=O)C12CCC(CC1=O)(C(=O)OCC)C(=O)C2
MolPort-038-386-044	0.61	CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C5CCC34C)C(O)=O)C2C1C
MolPort-020-005-949	0.61	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
MolPort-021-804-563	0.61	CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC32C)C1(C)C(O)=O
MolPort-020-005-947	0.61	CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)[C@@]1(C)C(O)=O
MolPort-046-793-320	0.61	CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)C(O)=O
MolPort-002-911-091	0.61	CCC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CC(=O)C23)C1
MolPort-003-941-230	0.61	CC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)\C=C(/C)C[C@H](C)[C@@H]1OC(=O)[C@H]1C
MolPort-005-944-607	0.61	CC1C=CC2CCCCC2C1CCC1CC(O)CC(=O)O1
MolPort-039-052-444	0.61	CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@H]2O)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12
MolPort-006-668-279	0.61	COC(=O)C1(C)OC(=O)C2C3(C)C(OC(C)=O)C(OC(C)=O)C4C(C)(C)C(=O)CC(O)C4(C)C3CC(=C)C2(C)C1=O
MolPort-044-637-543	0.61	COC1C=C2C3C(C)C(C)CCC3(C)CCC2(C)C2(C)CCC3C(C)(CCC(OC(C)=O)C3(C)C(O)=O)C12
MolPort-046-153-176	0.61	COCC1C2CC\C(C)=C\CC\C(C)=C\C2OC1=O
MolPort-046-153-045	0.61	CC(C)C1CCC2(C)C3C1C(C(CC(O)=O)OC3O)C2=C
MolPort-005-944-397	0.61	COC(=O)C1(C)OC(=O)C2C3(C)C(OC(C)=O)C(O)C4C(C)(C)C(=O)CC(O)C4(C)C3CC(=C)C2(C)C1=O
MolPort-005-944-039	0.61	COC(=O)C1(C)OC(=O)[C@@H]2[C@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C4C(C)(C)C(=O)CC[C@]4(C)C3CC(=C)[C@@]2(C)C1=O
MolPort-027-853-724	0.61	C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)C(=O)C=C12
MolPort-038-386-495	0.61	CC\C=C/CC1C(=O)C=CC1(O)CCCCC1CCC(=O)O1
MolPort-021-804-540	0.61	CC1=CC(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC12
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MolPort-003-894-751	0.60	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
MolPort-046-702-827	0.60	CCCCCCOC(=O)CCCCCCC(=O)OCCCCCC
MolPort-046-702-826	0.60	CCCCCC(CC)OC(=O)CCCCCC(C)C
MolPort-001-740-812	0.60	CC(=O)[C@]12C[C@@H](CC[C@@]1(C)CC[C@@H]2O)C(=C)C(O)=O
MolPort-003-803-152	0.60	CCCCOC(=O)CCCCCCCC(=O)OCCCC
MolPort-001-756-603	0.60	CCOC(=O)CCCC=C
MolPort-027-730-559	0.60	CCCCOC(=O)C1CCCC1
MolPort-046-588-244	0.60	CCCCCOC(=O)C1CCCC1
MolPort-002-530-241	0.60	CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-046-691-424	0.60	[2H]C([2H])(C(=O)OCC(CC)CCCC)C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC(CC)CCCC
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MolPort-046-424-009	0.60	CCOC(=O)CCC(C)C1CC[C@H]2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-027-836-012	0.60	CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C
MolPort-023-213-011	0.60	CC(=O)OCCCCCC=C
MolPort-044-723-603	0.60	CCCCCCCCCCCOC(=O)CCCCCCCCCCC
MolPort-002-511-164	0.60	C[C@H]1CCCCCCCCCCCOC1=O
MolPort-044-727-772	0.60	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
MolPort-044-727-600	0.60	CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCC)CCCCCCCC(O)=O
MolPort-044-561-664	0.60	CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
MolPort-044-561-661	0.60	CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
MolPort-044-561-393	0.60	CCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
MolPort-044-561-382	0.60	CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(O)=O
MolPort-044-560-837	0.60	CCC[C@H]1COC(=O)C1
MolPort-044-727-616	0.60	CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCC)CCCCCCCCC(O)=O
MolPort-044-727-618	0.60	CCCCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCC)CCCCCCCCC(O)=O
MolPort-044-183-410	0.60	CCCCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCCC)CCCCCCCC(O)=O
MolPort-000-843-752	0.60	CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC
MolPort-044-183-405	0.60	CCCCCCCCCCCC[13CH2][13CH2][13CH2][13C](=O)OC(CCCCCCCCC)CCCCCCCC(O)=O
MolPort-044-183-404	0.60	[2H]C([2H])(CCCCCCCC)C([2H])([2H])CCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(O)=O
MolPort-044-183-384	0.60	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC(CCCCCCCCC)CCCCCCCC(O)=O
MolPort-044-183-371	0.60	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
MolPort-044-183-362	0.60	CCCCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
MolPort-044-183-361	0.60	CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(O)=O
MolPort-044-727-771	0.60	CCCCCCCCCCCC[13CH2][13CH2][13CH2][13C](=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
MolPort-044-183-359	0.60	CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
MolPort-044-183-352	0.60	CCCCCCCCCCCCCCCC(=O)OC(CCCCCCC)CCCCCCCC(O)=O
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MolPort-003-925-205	0.60	CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
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MolPort-003-937-778	0.60	CCCCCCCCCCCC(=O)OCCCC
MolPort-001-917-573	0.60	O=C1CCCCCCCCCCCCO1
MolPort-006-131-773	0.60	CCCCCCCCC(=O)OCC(CC)CCCC
MolPort-001-942-579	0.60	O=C1CCCCCCCCC(=O)OCCCCCCO1
MolPort-001-942-580	0.60	O=C1CCCCCCCC(=O)OCCCCCCO1
MolPort-006-128-681	0.60	CCCCCCCCCOC(=O)CCCCCCCCC
MolPort-006-126-898	0.60	CCCCCCCCCCCC(=O)OCCCCCC
MolPort-006-125-957	0.60	CCCCCCCCCCCCCC(=O)OCC(CC)CCCC
MolPort-006-125-956	0.60	CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC
MolPort-006-125-923	0.60	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC
MolPort-006-123-649	0.60	CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC
MolPort-002-132-483	0.60	CCCCCCCCCCOC(=O)CCCCCCCC
MolPort-002-508-801	0.60	O=C1CCCCCCCCCCCCCCCCO1
MolPort-006-110-648	0.60	CCCCCCCCCCCCCC(=O)OCCCC
MolPort-006-133-953	0.60	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC
MolPort-006-110-656	0.60	CCCCCCCCCCCCCCCC(=O)OCCCC
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MolPort-006-122-841	0.60	CCCCC(CC)COC(=O)CCCCCCCCCCC(=O)OCC(CC)CCCC
MolPort-006-122-569	0.60	CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC
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MolPort-006-122-073	0.60	CCCCCCCCCCCCCCCC(=O)OCCCCCCCC
MolPort-006-121-762	0.60	CCCCCCCCCCCCCC(=O)OCCCCCCCC
MolPort-006-116-294	0.60	CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
MolPort-006-115-905	0.60	CCCCC(CC)COC(=O)CCCCC(O)=O
MolPort-006-112-127	0.60	CCCCCCCOC(=O)CCCCCC
MolPort-006-114-531	0.60	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
MolPort-006-114-373	0.60	CCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC
MolPort-006-113-065	0.60	CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
MolPort-006-114-318	0.60	CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC
MolPort-006-132-893	0.60	CCCCCCCC(=O)OCC(CC)CCCC
MolPort-006-114-191	0.60	CCCCCCCCCC(=O)OCCC(C)C
MolPort-003-960-016	0.60	CCCCCCCC(=O)OCCCCCC
MolPort-001-787-811	0.60	O=C1CCCCCO1
MolPort-002-509-935	0.60	CC1CCCCCCCCCCCCCOC1=O
MolPort-003-931-579	0.60	CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
MolPort-003-959-957	0.60	CCCCCCCC(=O)OCCCCC
MolPort-006-396-343	0.60	CCCC1CC(C)OC1=O
MolPort-003-940-527	0.60	CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC
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MolPort-006-149-179	0.60	CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C
MolPort-011-006-491	0.60	CCCOC(=O)CCC1CCCCC1
MolPort-007-980-901	0.60	CC(=C)C1CCC2(COC=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC=O)C(C)(C)C5CC[C@@]34C)C12
MolPort-003-940-444	0.60	CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC
MolPort-008-154-524	0.60	CCCOC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-021-804-533	0.60	CC(C)CC(=O)OC[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)([C@H]1CC3)C(O)=O
MolPort-027-673-533	0.60	COC1CCCC(C1)OC(=O)CC1CC2CCC1C2
MolPort-002-708-877	0.60	CC(C)C1OC(=O)C2(CCCCC2)C(=O)C1(C)C
MolPort-009-680-176	0.60	OC12CC3CC(C1)CC(C3)(C2)OC(=O)C=C
MolPort-002-915-387	0.60	OC(=O)CC12OC3C4C5C(C14)C1CC5C3C21
MolPort-002-806-661	0.60	CC(=O)OC1CCC(=O)C2COC(=O)C12C
MolPort-046-703-304	0.60	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
MolPort-003-801-794	0.60	CC12CCC(O1)C1(C)C2C(=O)OC1=O
MolPort-006-120-069	0.60	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C
MolPort-046-762-004	0.60	C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C
MolPort-003-801-795	0.60	CC12CCC(O1)C1C(=O)OC(=O)C21C
MolPort-002-893-940	0.60	CC(CCC(=O)OC1CC2CC1C=CC2)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-002-083-762	0.60	COC(=O)C1CC(=O)OC11CCCCC1
MolPort-003-983-935	0.60	C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O
MolPort-044-721-400	0.60	CC1CC2(C)CC(C1C(=O)OCCC#C)C(=O)O2
MolPort-002-911-147	0.60	CC(=O)O[C@@]1(C)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
MolPort-001-508-621	0.60	O=C1OC(=O)C2C3CCC(O3)C12
MolPort-006-128-830	0.60	CCCCCCCCCCCCOC(=O)CCCCCCC\C=C/C\C=C/CCCCC
MolPort-035-706-354	0.60	CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H](CC[C@@]23C)[C@]2(C)CCC(O)(O2)C(C)(C)O)[C@@]1(C)CCC(O)=O
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MolPort-005-933-758	0.60	O=C1OC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@H]12
MolPort-001-832-709	0.60	O=C1OC(=O)C2[C@@H]3CC[C@@H](O3)C12
MolPort-003-665-556	0.60	C[C@]12C3CCC(O3)[C@@]1(C)C(=O)OC2=O
MolPort-046-765-407	0.60	C[C@]12CC[C@@H]3[C@H]([C@H]1[C@@H]1C[C@@H]1C21CCC(=O)O1)[C@@H](CCl)CC1=CC(=O)CC[C@]31C
MolPort-039-052-517	0.60	CC(=C)[C@@H]1[C@@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(O)CO[C@H]2[C@]13C
MolPort-010-969-195	0.60	CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)C(=C)[C@H]12
MolPort-046-689-078	0.60	C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@@H](CCl)CC1=CC(=O)CC[C@]31C
MolPort-039-337-161	0.60	CC(=C)C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CC=C(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
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