Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-003-665-808	1	Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1
MolPort-000-706-683	1	Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
MCULE-3959902732	1	OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-5624348400	1	C1(C(=O)O)CC2C=CC1CC2
MolPort-004-955-148	0.97	Oc1ccc2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
MCULE-9625022025	0.95	CC1CCC(C(=O)O)(C)CC=1
MCULE-8879177648	0.95	OC(C1(CC=CCC1)CC1CC=CC1)=O
MCULE-5064546197	0.95	[C@H]1(C)[C@H](C)[C@@]2([H])C3=CC[C@@]4([C@@]5(C)CCC(C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1)=O)[H]
MCULE-5111117747	0.95	C[C@H]1[C@H](C)[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
MCULE-6367656540	0.95	C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O)[H]
MCULE-3212175174	0.95	C1(C)(CCC(=C(C)C1)C)C(O)=O
MCULE-8045386580	0.95	C1(=O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CCC(C1)(C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
MCULE-3143886740	0.95	C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-6217200752	0.95	O=C(O)[C@]12[C@@](C3=CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])([H])[C@@H](C)[C@H](C)CC2
MCULE-6601751883	0.95	C1(C)CC(CCC=1C)C(O)=O
MCULE-9335086572	0.95	CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
MCULE-7088367969	0.95	[C@@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@H](O)C2(C)C)[H])C(O)=O
MCULE-2445591436	0.95	C1C[C@]2([H])[C@](C(=O)O)(C)[C@H](C[C@@H](CC)O)C(C)=C[C@]2([H])CC1
MCULE-1308336736	0.95	C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C(C(O)CC[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)C(C)C21)C(O)=O)[H]
MCULE-6888052424	0.95	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-9474095410	0.95	[C@@H]1(O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CC[C@H]([C@@H]1C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
MolPort-003-844-653	0.93	[2H]c1cc(cc([2H])c1O)-c1oc2c([2H])c(O)c([2H])c(O)c2c(=O)c1[2H]
MolPort-001-740-354	0.93	Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
MolPort-003-665-821	0.93	COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
MolPort-006-393-842	0.93	[2H]C([2H])([2H])Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
MCULE-2496014695	0.93	C1(C)(C(O)=O)C2CCCCC2=C2C(CCCC2)C1C(O)=O
MCULE-9700928997	0.93	C12CCCCC1C(C(O)=O)C(C1CCCCC=21)C(O)=O
MCULE-1857694923	0.93	[C@@]12([H])C[C@@]([H])(C=C1)C[C@@H]2C(O)=O
MCULE-7626806338	0.93	C1CC2(C)C3CC=C4C5C(C)C(C)C(O)CC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-2721005128	0.93	C1CC2(C(CC=1)(C(O)=O)CCCC2)CC(O)=O
MCULE-8297574712	0.93	C1(C2CCC(C=C2)C1C(O)=O)C(O)=O
MCULE-5677861178	0.93	[C@H]1(C(O)=O)[C@]2([H])C[C@]([H])(C1)C=C2
MCULE-2570487264	0.93	OC(C1C2C=CC(C2)C1)=O
MCULE-3023348221	0.93	C1(C)(CC2CC1C=C2)C(O)=O
MolPort-001-740-950	0.92	COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
MolPort-003-724-680	0.92	Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
MolPort-023-277-567	0.92	Oc1cc(cc(O)c1O)-c1cc(=O)c2ccccc2o1
MolPort-005-945-542	0.92	Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1O
MolPort-023-277-567	0.92	Oc1cc(cc(O)c1O)-c1cc(=O)c2ccccc2o1
MCULE-6409888378	0.92	C1[C@]2([H])[C@@](C(O)=O)(CC[C@]3(C)C2=CC[C@@]2([H])[C@@]3(C)CC[C@]3([H])[C@]2(C)CC[C@H](O)[C@]3(CO)C)CCC1(C)C
MCULE-3614931522	0.92	CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2(C([C@]4([C@](CC2)(C(=O)O)CC[C@@H](C)[C@@H]4C)[H])=CC3)C)[H])(C)C[C@@H](O)[C@@H]1O)C
MCULE-9211922250	0.92	C12[C@H]3[C@@](CCC(C)(C)C3)(C(O)=O)CC[C@]1(C)[C@@]1(C)CC[C@@H]3[C@@](C)(CC[C@H](O)[C@@]3(C)CO)[C@H]1CC=2
MCULE-2299251979	0.92	C[C@@]12CC[C@@]3([H])C([C@@H](O)[C@H](O)C[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C(=O)O)CC[C@@]21C)(C)C
MCULE-2675118265	0.92	C1[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CCC1(C)C
MCULE-3171016035	0.92	C1CCC2C(C(O)=O)C2C=CC1
MCULE-3800481886	0.92	C1(C)(C)C[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@](CO)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
MCULE-1780641937	0.92	C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C([C@@H](O)[C@H](O)C[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
MCULE-1067283755	0.92	C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-1602610126	0.92	CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CC=C32)CC1
MCULE-7633761938	0.92	C(O)(C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)=O
MolPort-046-687-434	0.91	COc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
MolPort-002-511-856	0.91	COc1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
MolPort-046-687-434	0.91	COc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
MCULE-2016404995	0.91	C(O)(CC1(C)C(CC=C2C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12)([H])C(O)=O)=O
MolPort-004-955-680	0.90	Oc1ccc(cc1O)-c1cc(=O)c2ccc(O)c(O)c2o1
MolPort-000-774-377	0.90	COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)c(O)c1
MolPort-004-964-316	0.90	COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(O)c1
MolPort-004-955-375	0.90	Oc1ccc(cc1)-c1cc(=O)c2c(O)cccc2o1
MolPort-001-770-287	0.90	Oc1ccc(cc1O)-c1cc(=O)c2ccccc2o1
MolPort-046-153-796	0.90	COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
MolPort-001-742-013	0.90	Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-046-153-796	0.90	COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
MCULE-7708235386	0.90	OC(C1(CC=CC1)CC1CC=CCC1)=O
MCULE-5031139336	0.90	C12(C3C=CC1C(C3)C(O)=O)CC2
MCULE-5113003290	0.90	OC(C1CC2CC(CC=C2)C1)=O
MCULE-4280394560	0.90	C1C(=O)[C@]2(C)C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2[C@](C)(CO)[C@H]1O
MCULE-1144217583	0.90	C1(C=O)CCC(CCCC(O)(C)C)=CC1
MCULE-2451101251	0.90	C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
MCULE-7400247321	0.90	C12C=CC(C)C1C2C(O)=O
MCULE-4874634113	0.90	C1(CCCC)(C(O)=O)CC(C)=C(CC1C(O)=O)C
MCULE-3664047551	0.90	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-9341616847	0.90	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-4504483614	0.90	C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
MCULE-5025931577	0.90	C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
MCULE-5327458615	0.90	CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
MCULE-8509022096	0.90	[C@]12(C)[C@@]([H])(CC[C@@]3(C)[C@@]4(C)C([C@@]5([H])[C@](C(=O)O)(CCC(C)(C)C5)[C@H](O)C4)=CC[C@]13[H])[C@](C)(C=O)[C@@H](O)CC2
MCULE-2374686913	0.90	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(O)=O)[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-8052468805	0.90	C1C(CC)C(C(=O)O)C(C(=O)O)CC=1
MCULE-4272187140	0.90	C1(CC(C)=CC(C)C1C(O)=O)C(O)=O
MCULE-7057445911	0.90	C12C(C=CC1)C2C(O)=O
MCULE-4023009546	0.90	C([C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@]4(CC[C@H](O)[C@@](C)(C=O)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O)C)(=O)O
MCULE-7147126046	0.90	C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
MCULE-9137191737	0.90	C1(C)(C)C=C(C)CC(C(O)=O)C1C(O)=O
MCULE-4609643145	0.90	C12C(C)(C)CCCC=1CC(C(O)=O)C(C(O)=O)C2
MCULE-1939531919	0.90	CC1CC(C(O)=O)(C2C=CCCC2)C1
MolPort-001-741-408	0.89	Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
MolPort-005-310-458	0.89	COc1cc(cc(OC)c1O)-c1cc(=O)c2c(O)cc(O)cc2o1
MolPort-035-705-974	0.89	COc1ccc(cc1O)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
MolPort-039-338-424	0.89	COc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(O)c(O)c1
MolPort-003-665-797	0.89	Oc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
MolPort-001-759-135	0.89	O.Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
MolPort-023-278-998	0.89	COc1c(O)cc(cc1O)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
MolPort-046-683-310	0.89	COc1ccc(cc1OC)-c1cc(=O)c2c(O)cc(O)cc2o1
MolPort-046-683-310	0.89	COc1ccc(cc1OC)-c1cc(=O)c2c(O)cc(O)cc2o1
MolPort-039-338-424	0.89	COc1cc2oc(cc(=O)c2c(O)c1O)-c1ccc(O)c(O)c1
MolPort-035-705-974	0.89	COc1ccc(cc1O)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
MolPort-023-278-998	0.89	COc1c(O)cc(cc1O)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
MCULE-9416273604	0.89	CC1(CC[C@@]2(C(=O)O)[C@H](C3=C(CC2)[C@@]2(CC[C@H]4[C@@](C(=O)O)(C)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]2CC3)C)C1)C
MCULE-1049317957	0.89	[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)C(=C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-7221302841	0.89	CC1(C)CC2C(C(O)=O)(CCC3C4(C)CCC5C(C(O)=O)(C)C(O)C(O)CC5(C)C4CCC=32)CC1
MCULE-9966885116	0.89	[C@@H]1(O)CC2(C3CC=C4C5C(C)C(=C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(CO)(C)[C@H]1O)C
MolPort-002-131-742	0.88	O.O.Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
MolPort-004-960-055	0.88	Oc1ccc2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
MolPort-046-683-774	0.88	[2H]c1c([2H])c(c([2H])c(O)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
MolPort-001-740-532	0.88	Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
MolPort-001-740-557	0.88	Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
MolPort-000-674-523	0.88	O.Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
MolPort-004-964-320	0.88	COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(OC)c1
MolPort-046-683-774	0.88	[2H]c1c([2H])c(c([2H])c(O)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
MCULE-5213682431	0.88	C1(C(O)=O)CC(C(C)C)=CCC1C(O)=O
MCULE-6190365385	0.88	C(O)(CC1(C)C(CC(O)=O)(CC=C2C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12)[H])=O
MCULE-5074709635	0.88	C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(O)(CO)C1)C3)C
MCULE-1218384038	0.88	[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@H]1O
MCULE-6147550234	0.88	[C@@H]1(C[C@@]2([C@@]3([H])CC=C4[C@@]5([H])[C@](CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@]([C@H]1O)(C)CO)(C(O)=O)CCC(C)(C)C5)C)O
MCULE-3724391729	0.88	C1(C(O)=O)CC(C)=C(CC1C(O)=O)C
MCULE-9693195749	0.88	[C@@H]1(O)C[C@@]2(C3CC=C4C5CC(C)(C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2[C@]([C@@H]1O)(C)CO)C
MCULE-4431659207	0.88	C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(C)C1O
MCULE-1389326170	0.88	[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@@H]1O
MCULE-4320729921	0.88	C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-2506870963	0.88	C12(C)CCCC(C)(C(O)=O)C1CCC1CCC(O)CC2=1
MCULE-5436553655	0.88	[C@@H]1(O)C[C@@]2([C@@]3([H])CC=C4[C@]5([C@](C(O)=O)(CCC(C)(C)C5)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@](C)(CO)[C@H]1O)[H])C
MCULE-3885425015	0.88	[C@H]1(C[C@@]2([C@@]3([H])CC=C4[C@]5([C@](CC[C@@]4(C)[C@]3(C)C[C@H]([C@@]2([H])[C@](CO)([C@H]1O)C)O)(C(=O)O)CC[C@@H](C)[C@@H]5C)[H])C)O
MCULE-7925068743	0.88	[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@@H]1O
MCULE-4522488137	0.88	[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-1918074338	0.88	C(C(=O)O)C[C@]1(C)C2=CC[C@@]3(C(=O)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C
MCULE-1974040943	0.88	C12=CC[C@]3([C@@](C)(CC[C@]4([H])[C@]3(C)C[C@@H](O)[C@@H]([C@@]4(C)CO)O)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
MCULE-5686534690	0.88	C12=CCC3C(C)(CCC4C3(C)CC(O)C(C4(C)CO)O)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O
MCULE-2253127357	0.88	C1(CC(C)=CCC1C(O)=O)C(O)=O
MCULE-5774214368	0.88	[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MolPort-046-687-437	0.87	COc1cc(ccc1O)-c1cc(=O)c2c(OC)cc(O)cc2o1
MolPort-019-936-735	0.87	COc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
MolPort-003-665-819	0.87	COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
MolPort-006-069-397	0.87	COc1cc(cc(OC)c1OC)-c1cc(=O)c2c(O)cc(O)cc2o1
MolPort-006-147-776	0.87	Oc1ccc(cc1O)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
MolPort-046-687-437	0.87	COc1cc(ccc1O)-c1cc(=O)c2c(OC)cc(O)cc2o1
MolPort-006-668-410	0.87	COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
MolPort-019-936-735	0.87	COc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
MolPort-001-742-466	0.87	Oc1cccc2oc(cc(=O)c12)-c1ccccc1
MCULE-9499600420	0.87	C12CC1C1C(C(O)=O)C(C(O)=O)C2C=C1
MCULE-5009469360	0.87	[C@@H]1(C(O)=O)CCC=CC1
MCULE-7030538659	0.87	C12(C(=O)O)C3C4C5C1C=CC5C2(C(=O)O)C4C=C3
MCULE-8721985369	0.87	OC(C1C2C(C(O)=O)C(C(O)=O)C(C=C2)C1C(O)=O)=O
MCULE-9797420475	0.87	OC([C@H]1CC=CCC1)=O
MCULE-1597942572	0.87	OC([C@@H]1CC=CCC1)=O
MCULE-6262725586	0.87	OC(C1CC=CCC1)=O
MCULE-6215840629	0.87	[C@H]1(C(O)=O)CCC=CC1
MCULE-6492075764	0.87	C1CC2(C(CC=1)(C(O)=O)CCCC2)CCC#N
MCULE-7139174666	0.87	C1CC(C(O)=O)(CC=C1)[H]
MolPort-005-981-181	0.86	Oc1ccc2oc(cc(=O)c2c1O)-c1ccccc1
MolPort-000-882-130	0.86	Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
MolPort-001-742-461	0.86	COc1ccc(cc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
MolPort-008-821-910	0.86	COc1ccc2c(c1)oc(cc2=O)-c1ccc(O)c(OC)c1
MolPort-046-703-081	0.86	C.Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
MolPort-004-955-681	0.86	Oc1ccc(cc1O)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O
MolPort-046-153-728	0.86	COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(OC)c(OC)c(OC)c1
MolPort-003-933-790	0.86	O.Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
MolPort-019-937-021	0.86	COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1
MolPort-009-754-980	0.86	COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1
MolPort-008-155-866	0.86	COc1ccc(cc1OC)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
MolPort-046-703-081	0.86	C.Oc1ccc2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
MolPort-019-937-021	0.86	COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1
MolPort-046-153-728	0.86	COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(OC)c(OC)c(OC)c1
MolPort-003-665-822	0.86	COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
MCULE-8057091309	0.86	[C@@]1(C)(C(O)=O)[C@@H](C(O)=O)C2C=CC1C2
MCULE-7930269142	0.86	C12C(C1/C(/C1CC21)=C(\C)/C)C(O)=O
MCULE-3600048668	0.86	[C@@]12(C)C[C@@H](O)[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)C[C@@H]([C@H](O)[C@@]2(C)CO)O)[H])C(O)=O
MCULE-8919412541	0.86	C12CC(C(C(O)=O)C1C(O)=O)C=C2
MCULE-1536126723	0.86	C(O)(C1C(C2C3(CCCC3)C1C=C2)C(O)=O)=O
MCULE-1585586063	0.86	C12C(CCC(=O)C=1)CC(C(O)=O)C2
MCULE-9798718462	0.86	[C@@H]12C[C@H]([C@@H](C(O)=O)[C@@H]1C(O)=O)C=C2
MCULE-8179123738	0.86	[C@@H]1(C(=O)O)[C@]2([H])C=C[C@@]([H])(C2)[C@H]1C(=O)O
MCULE-6588005387	0.86	[C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([C@]([C@@H](C[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)([C@H]1O)CO)O)(C(=O)O)CCC(C)(C)C5)[H]
MCULE-7688714216	0.86	O=C(O)[C@@]12[C@H](O)C[C@]3(C)C(=CC[C@]4([C@@]3(C)CC[C@]3([H])[C@@]4(C[C@@H]([C@@H](C3(CO)CO)O)O)C)[H])[C@]1([H])CC(C)(C)CC2
MCULE-8918435387	0.86	C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(O)=O)=O
MCULE-2991720663	0.86	C123C(C([H])(O)C1=O)(CC=CC2)CC=CC3
MCULE-8005965492	0.86	[C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
MolPort-039-339-017	0.85	COc1cc(cc(O)c1OC)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
MolPort-039-338-391	0.85	COc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1
MolPort-039-338-391	0.85	COc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)cc1
MolPort-039-013-993	0.85	Oc1ccc(c(O)c1O)-c1cc(=O)c2ccccc2o1
MolPort-001-742-467	0.85	Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
MolPort-039-013-993	0.85	Oc1ccc(c(O)c1O)-c1cc(=O)c2ccccc2o1
MolPort-004-964-315	0.85	COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)cc2o1
MolPort-039-339-017	0.85	COc1cc(cc(O)c1OC)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
MolPort-003-849-813	0.85	COc1cc(OC)c2c(c1)oc(cc2=O)-c1cc(OC)c(OC)c(OC)c1
MolPort-001-740-838	0.85	COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
MolPort-004-960-043	0.85	COc1cc(OC)c2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1
MCULE-4980717954	0.85	C1CC(C)(CC(O)=O)C(C)(CC(=O)O)CC=1
MCULE-6809736977	0.85	COC(C1C2C=CC(CC2)C1)=O
MCULE-9038165616	0.85	CC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-5267198059	0.85	OC(C1(CC=CC1)CC1CCCCC1)=O
MCULE-5967042891	0.85	[C@]12(C)CCC3[C@@]([H])(CC([C@@]4([H])CC=CC[C@]34C)=O)C1CCC2[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C
MCULE-7677256646	0.85	OC(C1(CC=CC1)CC1CCCC=1)=O
MCULE-4778256781	0.85	C(O)(=O)CC[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(C)=C
MCULE-9777116319	0.85	C1CC2(C(CCCC2)(CC=1)C(OC)=O)CCC(OC)=O
MCULE-7100298727	0.85	COC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-6641232569	0.85	CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
MCULE-1202438669	0.85	C1C=CCCC(C(O)=O)CC1
MCULE-4851646103	0.85	CC1CCC(C2(C(O)=O)CC=CC2)CC1
MCULE-1670830332	0.85	C(C(O)=O)C[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@]1(C(C)=C)[H]
MCULE-4750287883	0.85	C1=CCC(C(O)=O)(C)C(C(C)=O)([H])C1
MCULE-8500547238	0.85	CC1CC(C2(C(O)=O)CC=CC2)CCC1
MolPort-039-338-414	0.84	Cc1c(O)c(C)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1
MolPort-039-338-414	0.84	Cc1c(O)c(C)c2oc(cc(=O)c2c1O)-c1ccc(O)cc1
MolPort-001-742-303	0.84	Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
MolPort-004-960-042	0.84	Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1O
MolPort-009-753-911	0.84	COc1ccc(cc1O)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
MolPort-006-668-548	0.84	COc1cc(cc(OC)c1OC)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
MolPort-006-395-271	0.84	Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(O)c(O)c1O
MolPort-001-740-873	0.84	COc1cc(ccc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
MolPort-001-740-364	0.84	COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
MolPort-000-735-128	0.84	COc1ccc2c(c1)oc(cc2=O)-c1ccc(OC)c(OC)c1
MCULE-7173744939	0.84	C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C=C2[C@@H](C)C1
MCULE-3556089734	0.84	C1=CC2C1C(C(O)=O)C2C(O)=O
MCULE-1391058013	0.84	C12(CC1)C1C=CC2C(C1C(O)=O)C(O)=O
MCULE-6672254923	0.84	C(=O)(O)C(C)(C)C1CC[C@@]2(C(CC=C3[C@]4([H])[C@@](O)(C)[C@H](C)CC[C@]4(C(=O)O)CC[C@@]23C)[C@@]1(C)CC(=O)O)C
MCULE-3259874247	0.84	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-8342191825	0.84	C1(=C(C)C)C2CCC1C(C2C(O)=O)C(O)=O
MCULE-2458381576	0.84	C1C2C(=O)C(CC(C(=O)O)C2)C=C1
MCULE-6949149768	0.84	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](C=O)(C)[C@H]1O
MCULE-9341959688	0.84	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@]1([H])CC=CC[C@@]21C(C)=O)[H]
MCULE-9929818229	0.84	[Na+].[Na+].C1C2CC(C(C([O-])=O)C2C([O-])=O)C=1
MCULE-1352194754	0.84	C1CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MolPort-046-688-827	0.83	Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(OCc3ccccc3)cc2o1
MolPort-023-278-991	0.83	COc1cc(cc(O)c1OC)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
MolPort-039-101-243	0.83	COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(O)c(OC)cc2o1
MolPort-046-153-746	0.83	COc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(OC)cc2o1
MolPort-039-338-733	0.83	Oc1ccc(cc1)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
MolPort-002-904-409	0.83	COc1ccc(cc1)-c1cc(=O)c2c(OC)cc(OC)cc2o1
MolPort-001-741-568	0.83	Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
MolPort-005-981-182	0.83	COc1cccc(c1)-c1cc(=O)c2c(OC)cc(OC)cc2o1
MolPort-039-101-243	0.83	COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(O)c(OC)cc2o1
MolPort-001-742-174	0.83	COc1cc(cc(OC)c1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
MolPort-023-278-991	0.83	COc1cc(cc(O)c1OC)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
MolPort-046-688-827	0.83	Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(OCc3ccccc3)cc2o1
MolPort-046-153-746	0.83	COc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(OC)cc2o1
MolPort-039-338-733	0.83	Oc1ccc(cc1)-c1oc2cc(O)c(O)c(O)c2c(=O)c1O
MolPort-002-903-705	0.83	COc1ccc(cc1)-c1cc(=O)c2ccc(O)cc2o1
MCULE-8429170945	0.83	C1C(CC(O)=O)C(C=C)CC=1
MCULE-5286515274	0.83	C1C(C(C)(C(=O)O)C(=O)O)C=CCC1
MCULE-1190191150	0.83	OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
MCULE-2546809155	0.83	CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
MCULE-3865951643	0.83	C1(C(O)=O)C(C)C(C)=CC(/C=C(/C)\C)C1C(O)=O
MCULE-3124415982	0.83	C1(O)C(O)C2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(CO)C1=O
MCULE-9024921933	0.83	OC(C(CC1C2C=CC(CC2)C1)=O)=O
MCULE-7136534003	0.83	CC=CCC1(C(O)=O)CC2(CCC2)C1
MCULE-6560423282	0.83	[C@H]1(CC(CC[C@@H]1C(O)=O)=CC/C=C(/C)\C)C(O)=O
MCULE-5225374056	0.83	CC(C(CC1C2C=CC(CC2)C1)=O)O
MCULE-1652773504	0.83	C1(/CCC(C/1)C(O)=O)=C(\C)/C
MCULE-8439103614	0.83	OC1C(C2(C(O)=O)CC=CC2)CCCC1
MCULE-5258251736	0.83	C(O)(=O)C(CC=CCCCCCCCCCCCCC)CC(O)=O
MCULE-3655330509	0.83	OC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-1831569032	0.83	C1(CC(CCC1C(O)=O)=CC/C=C(\C)/C)C(O)=O
MCULE-6962013531	0.83	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC(=O)[C@@]2([H])[C@@](C=O)(C)[C@H]1O
MCULE-2217416730	0.83	C1C(C)C(C(O)=O)(C)C(C(O)=O)CC=1
MCULE-2964563648	0.83	C1(C(C)C=CC(C)C1C(O)=O)C(O)=O
MCULE-3490312737	0.83	C/C(/C)=C\CC1(C(O)=O)CC2(CCC2)C1
MCULE-2911613762	0.83	[C@H]1(C[C@H]2C[C@@H]1C=C2)CC(O)=O
MCULE-1243088880	0.83	C1=CC(C)C(C(=O)O)C(C(=O)O)C1
MCULE-2960890696	0.83	C12C(C(=O)O)C3C4C(C(C(=O)O)C(C14)C=C2)C=C3
MolPort-000-659-817	0.82	COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-008-818-972	0.82	Cc1cc(C)c2oc(cc(=O)c2c1)-c1ccc(O)c(O)c1
MolPort-000-779-119	0.82	COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1
MolPort-019-998-217	0.82	Oc1ccc(cc1)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O
MolPort-008-821-339	0.82	COc1cc(ccc1O)-c1cc(=O)c2ccc3ccccc3c2o1
MolPort-046-156-405	0.82	COc1ccc(cc1Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1)-c1cc(=O)c2c(O)cc(O)cc2o1
MolPort-000-695-731	0.82	COc1cc(ccc1O)-c1cc(=O)c2ccccc2o1
MolPort-003-757-487	0.82	COc1cc(O)cc2oc(cc(=O)c12)-c1ccccc1
MolPort-001-741-112	0.82	COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)cc2o1
MolPort-003-724-691	0.82	Cc1c(O)cc(O)c2c1oc(-c1ccc(O)c(O)c1)c(O)c2=O
MolPort-046-765-444	0.82	[2H]C([2H])([2H])Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(OCc3ccccc3)cc2o1
MolPort-003-665-818	0.82	COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
MolPort-019-937-219	0.82	COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccccc1
MolPort-046-506-359	0.82	Oc1cc(cc(O)c1O)-c1oc2ccccc2c(=O)c1O
MolPort-001-741-910	0.82	COc1ccc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
MolPort-039-337-171	0.82	COc1c(O)cc(cc1O)-c1oc2cc(O)cc(O)c2c(=O)c1O
MolPort-000-703-687	0.82	Oc1ccc(cc1)-c1cc(=O)c2ccccc2o1
MolPort-019-998-217	0.82	Oc1ccc(cc1)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O
MolPort-046-765-444	0.82	[2H]C([2H])([2H])Oc1ccc(cc1O)-c1cc(=O)c2c(O)cc(OCc3ccccc3)cc2o1
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MCULE-7617211001	0.75	[C@H]1(C(=O)O)C([C@@H]1/C=C(\C)/C)(C)C
MCULE-3216123627	0.75	C1CC(C(C1(CC(=O)O)C)CC/C(=C/CCC(=O)C)/CO)C(C)(C)O
MCULE-9335291007	0.75	CC1(C(=O)CC[C@@]2(C)[C@H]1CC=C1[C@@]3(C)[C@]([C@H]([C@@H](C3)O)[C@H](C(=O)O)CCC(C(C)C)=C)(C)CC=C12)C
MCULE-1541926426	0.75	C1C[C@]2(C)C3=CC[C@@]4([C@@]([C@@H](C[C@@]4(C)C3=CC[C@@]2([H])C([C@H]1O)(C)C)O)([H])[C@H](C(O)=O)CCC(=C)C(C)C)C
MCULE-5371407715	0.75	C12(CCC(C(=C)C1(C)C)C2)C(O)=O
MCULE-8155210029	0.75	C[C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CO
MCULE-9071849084	0.75	C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CC(C)C2(O)C(C)=O)[H]
MCULE-7226046270	0.75	C12C(CCC(O)C=1)CC(C(OC)=O)C2
MCULE-1990275167	0.75	C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-6267867370	0.75	C12(C(C)(C)C)C=CC1(C(=O)C2(C)O)C(C)(C)C
MCULE-7654868641	0.75	CC(C(C1(C(O)=O)CC=CC1)C)C
MCULE-4241274271	0.75	C1(=O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
MCULE-1294118086	0.75	[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)=O
MCULE-1591105974	0.75	C12(CO)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)O
MCULE-3945869814	0.75	C12C(=O)C[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CCC1C=2CC[C@@]2([C@]1(C)CC[C@@H](O)C2)[H]
MCULE-1323295889	0.75	C1C[C@@H](C(C(O)=O)=C)C[C@@]2([H])C(O)(CC[C@@]3([H])[C@]4([H])C[C@H](C(=C)C(=O)O)CC[C@@]4(C)C=CC3=O)C(=O)C=C[C@@]21C
MCULE-5274452426	0.75	[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
MCULE-7244926496	0.75	CCC(C1(C(O)=O)CC=CCC1)C#N
MCULE-3841271177	0.75	C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2
MCULE-5063748511	0.75	C12CCC3=CC([C@H](C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MolPort-004-964-332	0.75	COc1cc(ccc1O)-c1oc2cc(O)cc(O)c2c(=O)c1OC
MolPort-039-338-670	0.75	COc1cc(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c12
MolPort-046-590-413	0.75	COc1ccc(cc1)-c1cc(=O)c2c(OC)cc(OCc3ccccc3)cc2o1
MolPort-027-637-295	0.75	COc1ccc(cc1OC)-c1cc(=O)c2c(OC)cc(OC)c(OC)c2o1
MolPort-000-674-956	0.75	COc1cc(ccc1O)-c1cc(=O)c2cc(C)cc(C)c2o1
MolPort-023-298-910	0.75	CC(C)=CCc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
MolPort-003-845-112	0.75	O=c1cc(oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12)-c1ccc(OCc2ccccc2)cc1
MolPort-006-318-038	0.75	Oc1cc(OCc2cccc3ccccc23)cc2oc(cc(=O)c12)-c1ccccc1
MolPort-008-818-985	0.75	COc1cc(ccc1O)-c1cc(=O)c2cc(Cl)ccc2o1
MolPort-000-709-017	0.75	Oc1cc(OCc2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
MolPort-039-141-802	0.75	COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O
MolPort-008-003-221	0.75	COc1ccc(cc1)-c1cc(=O)c2ccc(OCc3ccccc3)cc2o1
MolPort-023-274-268	0.75	COc1ccc(cc1O)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
MolPort-027-637-295	0.75	COc1ccc(cc1OC)-c1cc(=O)c2c(OC)cc(OC)c(OC)c2o1
MolPort-008-818-988	0.75	COc1cc(ccc1O)-c1cc(=O)c2cc(Br)ccc2o1
MolPort-023-274-268	0.75	COc1ccc(cc1O)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
MolPort-001-902-688	0.75	CCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-008-818-978	0.75	COc1cc(ccc1O)-c1cc(=O)c2cc(C)c(C)cc2o1
MolPort-023-298-910	0.75	CC(C)=CCc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
MolPort-039-338-670	0.75	COc1cc(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c12
MolPort-046-590-413	0.75	COc1ccc(cc1)-c1cc(=O)c2c(OC)cc(OCc3ccccc3)cc2o1
MolPort-004-960-044	0.75	COc1ccc(cc1OC)-c1cc(=O)c2ccc(OC)c(OC)c2o1
MolPort-001-740-298	0.75	COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c1O
MolPort-001-742-139	0.75	COc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OC)c2=O
MolPort-000-677-257	0.75	Cc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1
MolPort-000-668-398	0.75	COc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1
MolPort-006-827-856	0.75	COc1ccc(cc1OC)-c1cc(=O)c2cc(N)ccc2o1
MolPort-009-753-034	0.75	COc1cc(ccc1O)-c1oc2c(OC)c(O)cc(O)c2c(=O)c1O
MolPort-000-165-392	0.75	COc1cc(O)c2c(c1)oc(cc2=O)-c1cc(OC)c(OC)c(OC)c1OC
MolPort-039-141-802	0.75	COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O
MolPort-046-761-065	0.74	COc1cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c(O)c1OC
MolPort-008-818-969	0.74	Cc1cc(C)c2oc(cc(=O)c2c1)-c1ccc(O)cc1
MolPort-000-668-397	0.74	COc1ccc(cc1)-c1cc(=O)c2cc(C)ccc2o1
MolPort-000-719-481	0.74	CCOc1ccc(cc1)-c1cc(=O)c2ccccc2o1
MolPort-039-338-552	0.74	COc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
MolPort-022-396-299	0.74	Oc1ccc2cc(oc2c1)-c1cc(O)cc(O)c1
MolPort-000-718-794	0.74	O=c1cc(oc2ccccc12)-c1ccc2OCOc2c1
MolPort-046-761-065	0.74	COc1cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c(O)c1OC
MolPort-023-279-000	0.74	CC(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccccc1
MolPort-021-804-611	0.74	COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1
MolPort-046-761-061	0.74	COc1ccc(cc1)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1O
MolPort-022-396-299	0.74	Oc1ccc2cc(oc2c1)-c1cc(O)cc(O)c1
MolPort-044-559-814	0.74	Oc1cc(O)c2cc(O)c([o+]c2c1)-c1ccc(O)c(O)c1
MolPort-039-338-552	0.74	COc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
MolPort-000-424-825	0.74	COc1ccc(cc1OC)-c1cc(=O)c2cc(Br)ccc2o1
MolPort-044-754-191	0.74	Oc1c(O)c(-c2c(O)c(O)c(O)c3c2oc(cc3=O)-c2ccccc2)c2oc(cc(=O)c2c1O)-c1ccccc1
MolPort-039-063-526	0.74	COc1ccc(cc1)-c1oc2cc(OC)cc(OC)c2c(=O)c1O
MolPort-019-846-889	0.74	Oc1cc(O)c2cc(O)c([o+]c2c1)-c1cc(O)c(O)c(O)c1
MolPort-001-741-083	0.74	COc1ccc(cc1OC)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
MolPort-044-559-814	0.74	Oc1cc(O)c2cc(O)c([o+]c2c1)-c1ccc(O)c(O)c1
MolPort-001-904-341	0.74	Oc1ccc(cc1)-c1oc2ccccc2c(=O)c1O
MolPort-000-572-887	0.74	COc1ccc(cc1)-c1cc(=O)c2cc(OC)ccc2o1
MolPort-046-761-061	0.74	COc1ccc(cc1)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1O
MolPort-021-804-611	0.74	COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)c(OC)c2o1
MolPort-023-279-000	0.74	CC(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccccc1
MolPort-001-742-367	0.74	COc1cc(ccc1O)-c1oc2cc(O)c(OC)c(O)c2c(=O)c1OC
MCULE-2232302900	0.74	C1(CC2CCC1C=C2)C(C)=O
MCULE-3305395898	0.74	C12C3C4C5C1C(C1C5C5C4C(C(O)C5C1=O)C3=O)C=C2
MCULE-1897348776	0.74	O=C1C2CC=CCC2CC2CC=CCC21
MCULE-9151137367	0.74	O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(C)=O
MCULE-2637255261	0.74	C1C2C=CC3C(C(O)=O)C(C23)C=1
MCULE-4633610104	0.74	C(=O)(OC)C(C)(C)C1CC[C@@]2(C)[C@]3(C)CC[C@@]4(C(=O)O)CC[C@@H](C)[C@](O)(C)[C@@]4([H])C3=CCC2[C@@]1(C)CC(=O)O
MCULE-9156595873	0.74	C(CCCCC)C(O)CC=CCCCCCCCC(=O)O
MCULE-2832089707	0.74	C1CC2(C)C3=CC(=O)C(C)(C=C)CC3CCC2C(C(=O)O)(C)C1
MCULE-9742304708	0.74	C1C(C(O)=O)=CC[C@@H](C(O)(C)C)C1
MCULE-8991093142	0.74	OC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
MCULE-9036760572	0.74	[C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)O
MCULE-4786407254	0.74	C1CC2=C(C3(CCC(O)C(C(=O)O)C31)C)C(CC1(C(CCC21)C(O)C)C)O
MCULE-3516804753	0.74	C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@H](C(C(O)O)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-7472546811	0.74	C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-]
MCULE-8712180858	0.74	CC(C(C1(C(O)=O)CC=CC1)C)O
MCULE-8827470848	0.74	CC(CC1(C(O)=O)CC=CC1)(O)C
MCULE-7081301004	0.74	OC[C@H]1[C@H]2C=C[C@H](CC2)C1
MCULE-5701652206	0.74	C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
MCULE-4207394958	0.74	C1(C(C)=CC2C(C1(C)C(CCO)=O)C(C(=O)O)CC(C)(O)C2)/C(=C/CO)/C
MCULE-5797410500	0.74	O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CCC2=C1)C(C)=O
MCULE-2011201542	0.74	[C@]12(C)CCC([C@H](C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC=CC1=O
MCULE-6153090139	0.74	C1C2CCC(CC2C=O)C=1
MCULE-9093112563	0.74	CC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-1842199780	0.74	C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)[C@H]1O
MCULE-6709791224	0.74	C1CC2(C)C3C(=O)CC4(C)C(C(CCC(=O)O)=C)CC(O)C4(C)C=3CCC2C(C)(C)C1=O
MolPort-003-665-803	0.74	COc1ccc(cc1OC)-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1
MolPort-001-830-219	0.74	Cc1ccc(COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1
MolPort-009-754-975	0.74	Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(O)cc3)c2o1
MolPort-039-063-526	0.74	COc1ccc(cc1)-c1oc2cc(OC)cc(OC)c2c(=O)c1O
MolPort-044-754-191	0.74	Oc1c(O)c(-c2c(O)c(O)c(O)c3c2oc(cc3=O)-c2ccccc2)c2oc(cc(=O)c2c1O)-c1ccccc1
MolPort-008-818-980	0.74	CCc1ccc2oc(cc(=O)c2c1)-c1ccc(O)c(OC)c1
MolPort-001-889-888	0.74	Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
MolPort-001-742-489	0.74	COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
MCULE-8463642691	0.73	C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@](O)(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MolPort-005-938-589	0.73	COc1ccc(cc1O)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1OC
MolPort-046-689-626	0.73	COc1ccc(cc1OC(C)=O)-c1cc(=O)c2c(OC(C)=O)cc(OC(C)=O)cc2o1
MolPort-023-298-907	0.73	CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-002-508-323	0.73	COc1ccc2c(c1)oc(cc2=O)-c1ccc2OCCCCOc2c1
MolPort-001-740-349	0.73	COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1
MolPort-000-165-389	0.73	COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1OC
MolPort-000-698-625	0.73	Oc1ccc2oc(cc(=O)c2c1)-c1ccc2OCOc2c1
MolPort-000-659-818	0.73	CCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-006-318-188	0.73	COc1cc(OCc2ccccc2)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-002-510-003	0.73	CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(cc2=O)-c1ccc(OC(C)=O)c(OC(C)=O)c1
MolPort-003-804-008	0.73	COc1cc(cc(OC)c1OC)-c1oc2cc(O)cc(O)c2c(=O)c1OC
MolPort-000-767-868	0.73	COc1cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c(O)c1OC
MolPort-019-936-991	0.73	COc1cc(O)c2c(c1)oc(-c1ccc(O)c(OC)c1)c(OC)c2=O
MolPort-005-945-277	0.73	Oc1ccc(cc1)-c1cc(=O)c2c(O)c(c(O)cc2o1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1
MolPort-002-510-821	0.73	OC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-044-754-193	0.73	COc1c(O)c(O)c(O)c2c1oc(cc2=O)-c1ccccc1
MolPort-002-521-806	0.73	COc1cc(cc(I)c1O)-c1cc(=O)c2ccccc2o1
MolPort-001-801-391	0.73	CCCOc1cc(OCCC)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-000-712-834	0.73	CCOc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1
MolPort-002-115-438	0.73	COc1ccc(cc1)-c1cc(=O)c2ccc(C)cc2o1
MolPort-039-338-723	0.73	COc1c(O)cc(O)c2c1oc(-c1ccc(O)cc1)c(O)c2=O
MolPort-003-803-042	0.73	COc1ccc2c(c1)oc(cc2=O)-c1ccc(C=O)cc1
MolPort-003-939-101	0.73	[Cl-].Oc1cc(O)c2cc(O)c([o+]c2c1)-c1ccc(O)c(O)c1
MolPort-003-932-836	0.73	[Cl-].Oc1cc(O)c2cc(O)c([o+]c2c1)-c1cc(O)c(O)c(O)c1
MolPort-000-424-823	0.73	COc1ccc(cc1OC)-c1cc(=O)c2cc(Cl)ccc2o1
MolPort-000-674-958	0.73	COc1ccc(cc1OC)-c1cc(=O)c2cc(C)cc(C)c2o1
MolPort-000-424-824	0.73	COc1ccc(cc1OC)-c1cc(=O)c2cc(F)ccc2o1
MolPort-000-735-677	0.73	CCOc1cc(OCc2ccccc2)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-044-754-193	0.73	COc1c(O)c(O)c(O)c2c1oc(cc2=O)-c1ccccc1
MolPort-021-802-750	0.73	CCc1ccc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1
MolPort-039-338-723	0.73	COc1c(O)cc(O)c2c1oc(-c1ccc(O)cc1)c(O)c2=O
MolPort-023-298-907	0.73	CC(=O)Oc1cc(OC(C)=O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-019-936-991	0.73	COc1cc(O)c2c(c1)oc(-c1ccc(O)c(OC)c1)c(OC)c2=O
MolPort-046-689-626	0.73	COc1ccc(cc1OC(C)=O)-c1cc(=O)c2c(OC(C)=O)cc(OC(C)=O)cc2o1
MolPort-000-704-041	0.73	O=c1cc(oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12)-c1ccccc1
MolPort-000-648-125	0.73	COc1cc(cc(OC)c1OC)-c1oc2ccccc2c(=O)c1O
MolPort-021-802-750	0.73	CCc1ccc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1
MolPort-008-821-909	0.73	COc1cc(ccc1O)-c1cc(=O)c2ccc(C)c(C)c2o1
MCULE-6552675485	0.73	C12(C)CCC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(C)=O)CCC12)C)=O
MCULE-7760721294	0.73	C1CC2(CCCCC2(CO)C(C)C=1)CO
MCULE-4484854858	0.73	OC(C1(CC=CCC1)CC#N)=O
MCULE-5054990207	0.73	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(CO)=O
MCULE-4154375600	0.73	C12(C(CC=CC1)(CO)CCCC2)CO
MCULE-6355846723	0.73	C1CC2=CC(=O)/C(/C[C@]2(C)[C@H]([C@@H]1O)C)=C(\C)/C
MCULE-2022303549	0.73	C1(=O)CCC2(C)C3C(O)CC4(C=O)C(C(CO)=O)CCC4C3CCC2=C1
MCULE-2260551226	0.73	C1(C(OC)=O)CC(C)=C(CC1C(OC)=O)C
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MCULE-8414811975	0.72	CC(C)([C@H]1CCC(C)=CC1)O
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MCULE-5049706558	0.72	C1(CC(O)=O)(C(O)CCC(=O)C1)C/C=C(\C)/CC(/C=C(\C)/C)=O
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MCULE-7490068037	0.72	C1(=C)C2CCCC1CC(C(O)=O)C2
MCULE-4976051850	0.72	[C@]12(C)C[C@@H]([C@H](O)[C@@](C)(C(=O)O)[C@]1([H])CC[C@@]1(C)C3CC[C@@]4(C(=O)O)CCC(C)(C)C[C@@]4([H])C=3[C@@H](CCl)C[C@]21[H])O
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MCULE-7846055076	0.72	C1C[C@@]([H])(CCC=1C)[C@@](C)(CC/C=C(/C)\C)O
MCULE-8651982947	0.72	C(C)(C1(O)C(=C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-2400907851	0.72	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
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MolPort-001-742-474	0.72	COc1ccc2c(c1)oc(-c1ccccc1)c(O)c2=O
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MolPort-035-705-978	0.72	COc1ccc(cc1)-c1oc2c(OC)c(O)cc(O)c2c(=O)c1O
MolPort-001-740-789	0.72	COc1cc(O)c2c(c1)oc(-c1cc(O)c(OC)c(OC)c1)c(OC)c2=O
MolPort-005-945-338	0.72	COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O
MolPort-002-535-474	0.72	COc1c(O)c(O)c2oc(cc(=O)c2c1OC)-c1ccccc1
MolPort-005-981-178	0.72	COc1ccc2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OC)c2=O
MolPort-002-508-988	0.72	O=c1cc(oc2c3ccccc3ccc12)-c1ccc2OCCOc2c1
MolPort-001-759-205	0.72	O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1
MolPort-001-830-220	0.72	Cc1ccc(COc2cc(OCc3ccc(C)cc3)c3c(c2)oc(cc3=O)-c2ccccc2)cc1
MolPort-046-691-416	0.72	CC(C)=CCc1c(O)cc2oc(cc(=O)c2c1O)-c1ccccc1
MolPort-001-759-204	0.72	O=c1cc(oc2c3ccccc3ccc12)-c1ccccc1
MCULE-2200029918	0.71	OC(C(C1C=CCCCCC1)C#N)=O
MCULE-8186617947	0.71	C1=CC2C3C=C(C)C3C1C(C(OC)=O)C2C(OC)=O
MCULE-8236621147	0.71	C12C3C(C)(CCC(C)(C(OC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
MCULE-9381861258	0.71	C1(O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
MCULE-4207554768	0.71	C12C=CC(C(C(OC)=O)C1C(OC)=O)C1C=CC21
MCULE-2278067941	0.71	C12C3C(C)(CCC(C)(C(OC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)=O)C
MCULE-4121463357	0.71	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](C)C(C)C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@H]1O
MCULE-8464537126	0.71	CC12C(O)CCCC1=CC(=O)CC2
MCULE-3553508294	0.71	OC(C1C(CC2CC=CC2)CC1)=O
MCULE-6441405293	0.71	OC(C1(CC2C(C2)C1)CC1CC=CC1)=O
MCULE-2754580936	0.71	C/C(/C)=C/CC([C@H](C(C)=O)[C@@H]1[C@@]2(C)CC=C3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]1O)=C
MCULE-2255462467	0.71	C1C[C@]([C@@]2([C@](C1)(C)C1[C@]3(CC2)CC(=C)[C@@]([H])(C(=O)C=1)C3)[H])(C(O)=O)C
MCULE-6498196947	0.71	C12C=CC1C1CC(O)C12
MCULE-2896292130	0.71	OC(C1(CC1)CC1CC=CC1)=O
MCULE-6086039312	0.71	O=C1C2(O)C(C)(CCC(O)C2)C2(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C2=C1)[H]
MCULE-5733786329	0.71	C(C(=O)O)C[C@]1(C)C2=CC[C@]3(C)[C@@]([H])([C@H](C(=O)O)CC/C=C(/C)\C)[C@H](O)C[C@@]3(C)C2=CC[C@@]1([H])C(=C)C
MCULE-9031983714	0.71	C1=CC2C3C(C)=C(C)C3C1C(C(OC)=O)C2C(OC)=O
MCULE-9448141357	0.71	C12C(=O)CC(CC=1CC1(CC2(O)CC(C1)(C)C)C)(C)C
MCULE-3005532858	0.71	OC(C1(CCC1)CC1CC=CC1)=O
MCULE-3632970812	0.71	O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
MCULE-2390783905	0.71	[C@]12(C)[C@H](O)CC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1[C@H](C[C@@H]2C(C)=O)O
MCULE-4899138148	0.71	C1C2C3([H])C(C2(C(O)=O)C(O)(C)C)C=CC3C=1
MCULE-6242790082	0.71	C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1O
MCULE-9975844805	0.71	O=C(OC1(C2CC3CC(C2)CC1C3)C)C1CC2CC1C=C2
MCULE-7633282937	0.71	C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)C)C)CC(O)C4(C)C3=CCC2C(C)(C)C1=O
MCULE-7929024326	0.71	C1(O)C(=O)C=C(C)C2(CCC(C(O)(CO)C)C2)C1C
MCULE-1067345384	0.71	[C@]12(CO)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CO)O
MCULE-7022735372	0.71	C1(=O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
MCULE-9780635677	0.71	[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CC[C@@H](C(C)C)CC)CC3)C(=O)C=2
MCULE-8297407788	0.71	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@H]1O
MCULE-5773937031	0.71	C12C3C=CC1C(C(OC)=O)(C)C1C=CC(C3(C(OC)=O)C)C12
MCULE-5683974067	0.71	C1C[C@]2(C([C@](C(O)=O)(C)C1)CCC13C2CCC(C(CO)=C1)C3)C
MCULE-4440606459	0.71	C1([H])(C(OC)=O)C2C3C4C1C=CC4C([H])(C(OC)=O)C3C=C2
MCULE-7053911643	0.71	C(O)(=O)CC1C(CC=CC)CC(C1)=O
MCULE-8638278493	0.71	O=C(OC1(CCCCC1)C)C1CC2CC1C=C2
MCULE-3331110138	0.71	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC(=O)[C@@]2(O)C[C@H]1O
MCULE-2237684707	0.71	C12(CC(C(=O)C(C)=C1CC)C)C(=O)CCC2C(O)=O
MCULE-6346527900	0.71	C1(O)C2C3CC(C=C3)C2C(=O)C=1
MCULE-6884173238	0.71	CC1C(C(O)=O)(CC2CC=CC2)CCC1
MCULE-4596209637	0.71	CC1CC(C(O)=O)(CC2CC=CC2)CC1
MCULE-9579621162	0.71	C1C[C@]2(C)[C@@]3([H])C[C@H](O)C(C(C)C)=CC3=CC[C@@]2([H])[C@@](C(=O)O)(C)C1
MCULE-8247739375	0.71	C12=CCC3C(C)(CCC4C(C(OC(C)=O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(OC)=O
MCULE-8772466243	0.71	C1CC23CCOC(=O)C2(CCCC3)CC=1
MCULE-5339139192	0.71	[C@@]1(C(C)=C)([H])CC=C2[C@]3(C)C[C@@H](O)[C@H]([C@@H](CCC(=C)C(C)C)C(O)=O)[C@@]3(C)CC=C2[C@]1(CCC(=O)O)C
MolPort-046-689-591	0.71	CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(O)c(O)c2o1
MolPort-000-695-891	0.71	COc1cc(cc(OC)c1OC)-c1oc2ccc(C)cc2c(=O)c1O
MolPort-001-740-355	0.71	COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(OC)c2=O
MolPort-002-521-132	0.71	COc1cc(cc(I)c1OC)-c1cc(=O)c2ccccc2o1
MolPort-001-756-829	0.71	Nc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1
MolPort-004-955-678	0.71	Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1O
MolPort-046-690-255	0.71	COCOc1ccc(cc1)-c1oc2cc(OCOC)cc(O)c2c(=O)c1O
MolPort-008-818-971	0.71	COc1cc(ccc1O)-c1cc(=O)c2cc(Cl)cc(Cl)c2o1
MolPort-008-818-975	0.71	COc1cc(ccc1O)-c1cc(=O)c2cc(Cl)c(C)cc2o1
MolPort-000-659-819	0.71	CCCCOc1cc(OCCCC)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-002-367-352	0.71	CC(Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1)C(C)=O
MolPort-002-367-360	0.71	Cc1ccc(C)c(COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)c1
MolPort-001-802-999	0.71	CCCCCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-000-676-258	0.71	COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
MolPort-001-741-187	0.71	COc1ccc(cc1)-c1oc2cc(OC)cc(O)c2c(=O)c1OC
MolPort-046-690-255	0.71	COCOc1ccc(cc1)-c1oc2cc(OCOC)cc(O)c2c(=O)c1O
MolPort-002-509-678	0.71	Oc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1
MolPort-000-675-877	0.71	Oc1c(oc2ccccc2c1=O)-c1ccccc1
MolPort-001-889-824	0.71	CC(Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1)C(O)=O
MolPort-046-689-591	0.71	CN(C)c1ccc(cc1)-c1cc(=O)c2ccc(O)c(O)c2o1
MolPort-000-656-755	0.71	CC(C)=CCOc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-001-804-853	0.71	COC(=O)c1ccc(COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1
MolPort-000-676-308	0.71	COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(OCCOc3ccc(C)cc3)ccc2o1
MolPort-000-676-303	0.71	COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(OCC=C)ccc2o1
MolPort-000-676-304	0.71	COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(OCC#N)ccc2o1
MolPort-000-656-754	0.71	CC(=C)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-005-944-718	0.71	COc1cc(ccc1O)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1OC
MolPort-002-508-399	0.71	COc1cc(OC)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O
MolPort-001-742-702	0.71	COc1ccc(cc1OC)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1OC
MolPort-001-741-167	0.71	COc1ccc(cc1)-c1cc(=O)c2c(OC)c(OC)c(OC)c(OC)c2o1
MolPort-002-523-141	0.71	OC(=O)COc1cc(OCC(O)=O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-003-804-089	0.71	COc1c(O)c(O)c2c(oc(cc2=O)-c2ccccc2)c1OC
MCULE-6846923078	0.70	C1(C(C(O)=O)C2CC1C=C2)(C(F)(F)F)C(F)(F)F
MCULE-7293878607	0.70	C(/C/C=C\CCCC(=O)O)=C/C/C=C\C/C=C\CCCCC
MCULE-3077397941	0.70	C1(C(CCCC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-2665091779	0.70	C12(CO)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(CO)=O)[H]
MCULE-7903507006	0.70	C1(C(CCC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-3556525470	0.70	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC(C)=C2C(C)=O
MCULE-7420090326	0.70	C1(C(C)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-3038839535	0.70	C12C(C)(C)CCCC=1CC(C)C(CO)(CO)C2
MCULE-6934036262	0.70	C1(C(CCCC(C2C(=O)CC(CC2=O)(C)C)C2C(=O)CC(CC=2O)(C)C)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-2871457061	0.70	C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(C)=C)CC[C@@]5(CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C([C@@H]1O)(C)C)C(O)=O
MCULE-1993565165	0.70	C1(/CCC(C/1)C(OC)=O)=C(/C)\C
MCULE-8925145429	0.70	O=C1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C1O)C)[H])C
MCULE-3066570238	0.70	C(O)(=O)[C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@]1(C)[C@@](C([C@H](CC1)O)(C)C)([H])CC3)C)(C)CC2
MCULE-9656399480	0.70	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C(O)C1=O
MCULE-2014291882	0.70	C(OCC)(C1CC=C2C1(C)CCC1C2CCC2(O)CC(O)CCC21CO)=O
MCULE-3790245367	0.70	C1(CO)(CO)C(C)CC(=CC1C)C
MCULE-6148148354	0.70	C1(C)C(C(O)C2(CO)C(C)CC=CC2)CC=CC1
MCULE-8322667113	0.70	C1(C(CC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-8763282524	0.70	OC([C@@]12CC[C@@]3(C(O)=O)CCC(C(C)=C)C3[C@@]1([H])CCC1[C@@]2(C)CCC2[C@@]1(CC[C@H](O)C2(C)C)C)=O
MCULE-2620645862	0.70	[O-]C(=O)CCCCCCCC=CCC=CCCCCC.[K+]
MCULE-5097841519	0.70	C1(=O)C([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@@]1([C@@](CC[C@H]1C(C)=C)(C(O)=O)CC3)[H])C)(C)CC2)[H])(C)C
MCULE-5453524094	0.70	OC(C1CC(CC2CC=CC2)(O)C1)=O
MCULE-5368790248	0.70	C(O)(=O)[C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@]1(C)[C@@](C([C@H](CC1)O)(C)C)([H])CC3)C)(C)CC2
MCULE-6499225679	0.70	CC(C(O)=O)(CC1CCCCC=1)N
MCULE-1643283288	0.70	C1(C(=O)CC(CC=1O)(C)C)C(C(C)C)C1C(=O)CC(CC1=O)(C)C
MCULE-7329243914	0.70	C12(CO)CCC(C(C)(CCC(C)CC(O)=O)C1CCC=C2CO)C
MCULE-2526639251	0.70	[C@]1(C)(C(CC=C)O)CCC(=CC1C)C
MCULE-2275715129	0.70	C12(C)CCC3(C(C(C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-7182736800	0.70	C(CC=CCCCC(O)=O)=CCC=CCC=CCCCCC
MCULE-4777198621	0.70	CCCCC/C=C\CCCCCC(C(=O)O)C(O)CC(=O)O
MCULE-3490442378	0.70	C1C[C@]2(C)CC[C@@H](C(C(=O)OC)=C)CC2=C(C)C1
MCULE-5625416311	0.70	OC(C1(CC=CCC1)C/C=C(/Cl)\Cl)=O
MCULE-3633249572	0.70	C1CC23CC(C(OC)=O)C(=O)C2(CC=CC3)CC=1
MCULE-2404322318	0.70	C(=O)(CC(O)C/C=C\CCCCCC)O
MCULE-3069989292	0.70	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
MCULE-9611860953	0.70	C(O)(=O)[C@]12[C@@](C3=CC[C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC1)C)C)C(C)(C)[C@@H](OC(=O)[C@]13[C@@](C4=CCC6[C@]7(C)C(CC[C@]6([C@@]4(CC1)C)C)C(C)(C)C(=O)CC7)([H])[C@@H](C)[C@H](C)CC3)CC5)([H])[C@@H](C)[C@H](C)CC2
MCULE-8322152301	0.70	CC(C1C2C3C(C)(CCC2(C(O)=O)CC1)C1(C)C(C2(C)C(CC1)C(C)(C)C(=O)CC2)CC3)=C
MCULE-2723569406	0.70	C1CC2(C)C3C(=O)CC4(C)C(C(CCC(=O)O)=C)CC(O)C4(C)C=3C(=O)CC2C(C)(C)C1=O
MCULE-3541967763	0.70	[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
MCULE-7419704729	0.70	C123C=CC1(CCC(O)C2)CCCC3
MCULE-9605736984	0.70	C1CC23C=CC2(CCCC3)CC1=O
MCULE-6309054443	0.70	C1=CC2C1C(C(OC)=O)C2C(OC)=O
MolPort-039-338-366	0.70	COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(OC)cc3)c2o1
MCULE-4442751651	0.70	C1=CC2C(O)C1C1C(=O)C=CC12
MolPort-004-955-080	0.70	COc1cccc(c1)-c1oc2ccccc2c(=O)c1O
MCULE-9982252588	0.70	O=C(O)[C@]12[C@]([C@]3(CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])[H])([H])[C@H](C(=C)C)CC2
MolPort-000-450-875	0.70	COc1ccc2c(c1)oc(cc2=O)-c1ccccc1F
MCULE-6482685801	0.70	C1CC2(C)C3C(=O)CC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
MolPort-002-536-512	0.70	CN(C)C(=O)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-4487348024	0.70	[C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(=O)C2(C)C)C(=O)[O-]
MolPort-000-708-500	0.70	O.OS(O)(=O)=O.Cc1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
MCULE-1720910553	0.70	[O-]C(=O)CCCCCCCC([H])=C([H])CC([H])=C([H])CCCCC.[Na+]
MolPort-001-789-185	0.70	Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3)c2cc1O
MCULE-2125200193	0.70	[C@@]12(C)CC[C@]3([C@]([H])([C@H](C(C)=C)CC3)[C@@]1([H])CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)O)CC[C@@]21C)C)C(O)=O
MolPort-046-687-450	0.70	COc1c(O)cc(O)c2c1oc(-c1ccccc1)c(O)c2=O
MolPort-046-790-441	0.70	COc1cc(OC)c2c(oc(cc2=O)-c2ccccc2)c1OC
MolPort-000-668-405	0.70	COc1ccc(cc1)-c1cc(=O)c2cc(OC(C)=O)ccc2o1
MolPort-009-753-052	0.70	COc1c(O)ccc(O)c1-c1cc(=O)c2c(O)cc(O)c(OC)c2o1
MolPort-001-741-078	0.70	Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(=O)c4c(O)cc(O)cc4o3)c2o1
MolPort-045-902-764	0.70	Cc1oc(C)c2c1c(O)cc(cc2=O)-c1ccc(O)cc1
MolPort-002-894-048	0.70	COc1ccc2c(c1)oc(cc2=O)-c1ccccc1OC
MolPort-003-582-558	0.70	CCOc1ccc(cc1)-c1cc(=O)c2cc(N)ccc2o1
MolPort-000-655-357	0.70	COC(=O)C(C)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-002-519-727	0.70	COc1cc(cc(I)c1OC)-c1cc(=O)c2cc(O)ccc2o1
MolPort-000-659-814	0.70	CCOC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-001-845-378	0.70	COC(=O)COc1cc(OCC(=O)OC)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-023-279-004	0.70	COc1ccc(cc1)-c1oc2c(OC)c(O)cc(O)c2c(=O)c1OC
MolPort-000-450-880	0.70	COc1ccc2oc(cc(=O)c2c1)-c1ccc(C)cc1
MolPort-023-298-916	0.70	COc1cc(cc(OC)c1OC)-c1oc2cc(OC)c(OC)c(OC)c2c(=O)c1OC
MolPort-003-665-800	0.70	COc1ccc(cc1OC)-c1oc2cc(OC)c(OC)c(OC)c2c(=O)c1OC
MolPort-046-766-198	0.70	Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc2OC(Oc2c1)(c1ccccc1)c1ccccc1
MolPort-003-896-962	0.70	Brc1ccc(COc2cc(OCc3ccc(Br)cc3)c3c(c2)oc(cc3=O)-c2ccccc2)cc1
MolPort-000-676-309	0.70	COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(OCCCOc3cccc(C)c3)ccc2o1
MolPort-000-479-697	0.70	COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(Cl)cc(Cl)c2o1
MolPort-001-949-882	0.70	NC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-000-648-141	0.70	Cc1ccc(cc1)-c1cc(=O)c2ccccc2o1
MolPort-002-627-222	0.70	COc1cc(ccc1O)-c1cc(=O)c2cc(Br)cc(Br)c2o1
MolPort-002-832-070	0.70	COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccccc1
MolPort-002-249-610	0.70	Cc1ccc(cc1)-c1cc(=O)c2ccc3ccccc3c2o1
MolPort-000-796-906	0.70	COc1ccc(cc1)-c1cc(=O)c2cc(Cl)ccc2o1
MolPort-008-821-908	0.70	COc1cc(ccc1O)-c1cc(=O)c2c(C)c(Cl)c(C)cc2o1
MolPort-000-695-889	0.70	COc1ccc(cc1OC)-c1oc2ccc(C)cc2c(=O)c1O
MolPort-023-220-501	0.70	Oc1cc(O)c2cc(O)c([o+]c2c1)-c1ccc(O)c(O)c1.Cc1cc(cc(C)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O.Oc1cc(O)c2cc(O)c([o+]c2c1)-c1cc(O)c(O)c(O)c1
MolPort-001-838-570	0.70	CC(C)(C)c1ccc(COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1
MolPort-000-674-959	0.70	CCOc1ccc(cc1OC)-c1cc(=O)c2cc(C)cc(C)c2o1
MolPort-001-742-273	0.70	Cc1cc(=O)c2c(O)cc(O)cc2o1
MolPort-046-687-450	0.70	COc1c(O)cc(O)c2c1oc(-c1ccccc1)c(O)c2=O
MolPort-046-790-441	0.70	COc1cc(OC)c2c(oc(cc2=O)-c2ccccc2)c1OC
MolPort-039-338-366	0.70	COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3c(O)cc(O)c4c3oc(cc4=O)-c3ccc(OC)cc3)c2o1
MolPort-023-298-916	0.70	COc1cc(cc(OC)c1OC)-c1oc2cc(OC)c(OC)c(OC)c2c(=O)c1OC
MolPort-046-766-198	0.70	Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc2OC(Oc2c1)(c1ccccc1)c1ccccc1
MolPort-023-279-004	0.70	COc1ccc(cc1)-c1oc2c(OC)c(O)cc(O)c2c(=O)c1OC
MolPort-023-220-501	0.70	Oc1cc(O)c2cc(O)c([o+]c2c1)-c1ccc(O)c(O)c1.Cc1cc(cc(C)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O.Oc1cc(O)c2cc(O)c([o+]c2c1)-c1cc(O)c(O)c(O)c1
MolPort-045-902-764	0.70	Cc1oc(C)c2c1c(O)cc(cc2=O)-c1ccc(O)cc1
MolPort-023-298-919	0.70	COc1cc(OC)c2c(oc(-c3cc(OC)c(OC)c(OC)c3)c(OC)c2=O)c1O
MolPort-000-695-719	0.70	COc1ccc(cc1)-c1oc2ccccc2c(=O)c1O
MolPort-001-776-699	0.70	COc1ccc(cc1)-c1cc(=O)c2cc(F)ccc2o1
MolPort-023-298-919	0.70	COc1cc(OC)c2c(oc(-c3cc(OC)c(OC)c(OC)c3)c(OC)c2=O)c1O
MolPort-000-597-136	0.70	COc1ccc(cc1OC)-c1oc2cc(C)ccc2c(=O)c1O
MolPort-000-648-469	0.70	Cc1ccc2oc(cc(=O)c2c1)-c1ccccc1
MolPort-003-722-782	0.70	COc1ccc2oc(cc(=O)c2c1)-c1ccc2OCCOc2c1
MolPort-002-508-429	0.70	O=c1cc(oc2ccccc12)-c1ccc2OCCCOc2c1
MolPort-002-646-664	0.70	O=c1cc(oc2c3ccccc3ccc12)-c1ccc2OCCCOc2c1
MolPort-008-821-340	0.70	COc1cc(cc(Cl)c1O)-c1cc(=O)c2ccc3ccccc3c2o1
MolPort-002-367-363	0.70	Oc1cc(OCc2ccc(C=C)cc2)cc2oc(cc(=O)c12)-c1ccccc1
MolPort-003-178-482	0.70	Cc1ccc2oc(-c3ccccc3)c(O)c(=O)c2c1
MCULE-2001524479	0.69	C[C@@]12[C@H]3CC=C4[C@H]5CC(C)(C)[C@@H](O)[C@H](O)[C@]5(CO)[C@H](O)C[C@@]4(C)[C@]3(C)CCC1[C@](CO)(C)[C@@H](O)CC2
MCULE-9190698368	0.69	O=C(CC1CCC(=O)C1CC=CCC)OC
MCULE-8274191901	0.69	[C@@]12(C)C[C@H]([C@]([H])([C@H](C(=O)O)CCC(=C)C(C)C)[C@@]1(C)CCC1[C@@]3(C)CC[C@H](OC(=O)C)C(C)(C)[C@]3([H])CCC2=1)O
MCULE-6095158575	0.69	C1=C(C(C)C)[C@@]2([H])[C@H]3C(C(C)C)=C[C@H]([C@@](C)(O)C3=O)[C@@]2([H])[C@@](C)(O)C1=O
MCULE-3465723245	0.69	[C@@H]1(CCC(=O)[C@@H]1CC=CCC)CC(=O)OC
MCULE-6534469638	0.69	C(CCCCC=CCCCC)CCC(=O)OC
MCULE-3684696083	0.69	CCCCCC/C=C/CCCCCCCC(OC)=O
MCULE-5533097898	0.69	C(CCCC(=O)OC)CCCC=CCCCCCC
MCULE-3272252898	0.69	O=C1CCC2(CO)C3CCC4(C)C(CCC4(C3CCC2=C1)[H])C(O)=O
MCULE-7240141445	0.69	[C@@]12([H])CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-8924549531	0.69	C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@H](C(O)=O)CCC(=C)C(C)C)[C@H](O)C[C@@]4(C)C=3CC[C@@]2([H])C(C)(C)[C@H]1OC(C)=O
MCULE-4392799968	0.69	C1(C=O)CCC(C)=C(C)C1
MCULE-8838919541	0.69	OC1(C(CC2CC=CC2)=O)CCCC1
MCULE-1397397840	0.69	O=C1CCC2(O)C3CCC4(C)CC(O)CC4C3CCC2=C1
MCULE-7329433097	0.69	C1(C(O)=O)C(N)C2CC1C=C2
MCULE-6674544067	0.69	OC(C1(CC=CC1)CC1CC(F)(F)C1)=O
MCULE-5946438019	0.69	C[C@]12C3[C@@H]([C@@]4([C@@H](CC=3)C(C)(C)[C@H](O)CC4)C)CC[C@]1(C)[C@@H]1[C@@H](C)[C@H](C)CC[C@]1(C)CC2
MCULE-8499932204	0.69	C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3[C@H](O)C[C@@]2([H])[C@@](CO)(C)C1
MCULE-3987885076	0.69	C12=CC[C@]3([C@@H](CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
MCULE-7594353501	0.69	C1C[C@@]2(C)C3=CC[C@@]4(O)C(=C)C(=O)[C@@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
MCULE-2350131012	0.69	C(CCCCCCCCC=CCCCCCC)(OC)=O
MCULE-6713995732	0.69	C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C3=CCC2C(C)(C)C1=O
MCULE-9945880207	0.69	[C@@H]12C[C@H]([C@@H](C(O)=O)[C@@H]1C(N)=O)C=C2
MCULE-4995415924	0.69	C(CCC)CCCC/C=C\CCCCCCCC(=O)OC
MCULE-8526293555	0.69	C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C)CC(=O)OC
MCULE-5218628817	0.69	C12CC(C(C(O)=O)C1C(N)=O)C=C2
MCULE-9060371972	0.69	C12CC[C@H](O)[C@@]1(C)CCC(=O)C=2
MCULE-7199540909	0.69	O=C(C1CCCCC1)CC1CC=CCC1
MCULE-4589748840	0.69	NC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-2614181271	0.69	CC(C(CC1C2C=CC(CC2)C1)=O)(C)C
MCULE-1470831787	0.69	C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1OC(=O)C
MCULE-9723128082	0.69	C12CC(C=C1)CC2C(OC1(C)CCCC1)=O
MCULE-3810560225	0.69	C12C(CCC(F)C=1)CC(C(OC)=O)C2
MCULE-2122796304	0.69	C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(OCC)=O)=O
MCULE-6144873686	0.69	C12=CC(=O)[C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21O)=O
MCULE-3957085478	0.69	C1(C(O)=O)CCC(Br)=CC1
MCULE-4280624613	0.69	[C@@H]1(C(O)=O)[C@H](N)[C@]2(C[C@]1([H])C=C2)[H]
MCULE-7284740085	0.69	NC1(C(O)=O)[C@@H]2C=C[C@@H](C2)C1
MCULE-7688284225	0.69	C1(C=O)(C)CCC(C)=C(C)C1
MCULE-9029872817	0.69	C1(CCCCCCCO)C(=O)C[C@@H](O)C=1
MCULE-9852233406	0.69	OC(C(CC1CC=CC1)=O)=O
MCULE-1627239407	0.69	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](O)C2=CC1=O
MCULE-4563413881	0.69	CC(C(O)=O)(CC1CCCCC=1)N.Cl
MCULE-3487233745	0.69	C1(C)CC(C)C(CC=1C)C=O
MCULE-4050021987	0.69	[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC=C2C(CO)=O
MCULE-9576334626	0.69	C(C1CC(C)=CC(C)C1C)=O
MCULE-8493572612	0.69	C([H])(CCCCCCCC)=C(CCCCCCCCCCCC(=O)OC)[H]
MCULE-2479536906	0.69	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(OC)=O)[H]
MCULE-2039968402	0.69	C12(C)CCC(C(C)(C)C1C=CC1C3C(C)(C(CC3)OC(C)=O)CCC21)=O
MCULE-7023706443	0.69	C1C(O)C(C)(C)C2CC=CCC2(C)C1
MCULE-7277661521	0.69	C1C(O)C2(C)C3C(O)CC4(C)C(C(C)=O)=CCC4C3CC=C2CC1O
MCULE-3860629045	0.69	C12=CC(O)(C(C)C)CCC1C1(C(C(C(O)=O)(C)CCC1)CC2=O)C
MolPort-000-676-307	0.69	COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(OCC(O)=O)ccc2o1
MCULE-6566332427	0.69	C12=CC[C@]3(C(CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
MolPort-001-904-025	0.69	Brc1cccc(c1)-c1cc(=O)c2ccccc2o1
MCULE-8140747078	0.69	C(CCCCCCCC=CCCCCCCCC)(OC)=O
MolPort-000-695-721	0.69	Cc1ccc(cc1)-c1oc2ccccc2c(=O)c1O
MCULE-6501593178	0.69	C1(O)CC2(C(CO)C(C)=CC(=O)C2C(C)(C)C1)C
MolPort-044-561-633	0.69	[Cl-].COc1cc(O)c2ccc([o+]c2c1)-c1ccc(O)cc1
MCULE-5534930691	0.69	C1CC(CCC=1C)C=O
MolPort-008-821-338	0.69	COc1cc(ccc1O)-c1cc(=O)c2cc(Cl)cc(C)c2o1
MCULE-2036056204	0.69	C1CC2(C)C=C(C(=O)O)C(O)CC2C(C)(C)C1
MolPort-000-695-883	0.69	COc1ccc(cc1)-c1oc2ccc(C)cc2c(=O)c1O
MCULE-1997774461	0.69	C12(C)C(CCC1(C)C(O)=O)C(=C2)Br
MolPort-004-955-145	0.69	COc1ccc(cc1)-c1oc2ccc(OC)cc2c(=O)c1O
MCULE-2247897001	0.69	COC(C1C2(C)C(C3C(CC2)C2(C)C(CC(CC2)O)=CC3)CC1)=O
MolPort-039-338-687	0.69	COc1cccc2oc(cc12)-c1cc(O)cc(O)c1
MCULE-6950544067	0.69	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCC(OC)=O)[H]
MolPort-039-338-688	0.69	COc1cc(O)cc(c1)-c1cc2c(O)cccc2o1
MCULE-9909477927	0.69	OC(CC1CCCCC=1)=O
MolPort-004-931-072	0.69	CCOC(=O)COc1cc(O)cc2oc(cc(=O)c12)-c1ccccc1
MCULE-8805854090	0.69	[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
MolPort-016-585-824	0.69	Cc1oc(C)c2c1c(O)cc(cc2=O)-c1ccccc1
MCULE-5208181398	0.69	C1(C(=C(O)C(=O)C23C1C(C)C=CC2CCC(=O)C3)C)=O
MolPort-035-705-977	0.69	COc1ccc(cc1)-c1oc2c(OC)c(O)c(OC)c(O)c2c(=O)c1OC
MCULE-1052417281	0.69	C(CCCCCCCCCCCCCC=CCCCCCCCC)(OC)=O
MolPort-007-981-718	0.69	COc1ccc(cc1)-c1cc(=O)c2ccc(N)cc2o1
MCULE-6377131123	0.69	C1CC(CO)CCC=1C
MolPort-000-668-424	0.69	CCCOc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)cc1
MCULE-5100609642	0.69	[C@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)[C@]1(C)CCC1[C@@]3(C(C(C)(C)[C@H](CC3)O)CCC2=1)C)C
MolPort-000-676-310	0.69	COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(OCCCCOc3cccc(C)c3)ccc2o1
MCULE-8045534685	0.69	C(O)(C(CC)C1CCCCC=1)=O
MolPort-002-522-670	0.69	Oc1cc(OCC(Cl)=C)cc2oc(cc(=O)c12)-c1ccccc1
MCULE-3020606954	0.69	O=C1CC(C)(C)C2CC=CCC2C1(C)C
MolPort-000-598-823	0.69	COc1ccc(cc1OC)-c1oc2cc(C)cc(C)c2c(=O)c1O
MCULE-2410702763	0.69	C(O)(=O)CCCCC(O)CC(/C=C\C/C=C\CCCCC)O
MolPort-000-656-580	0.69	Oc1cc(OCc2ccc(F)cc2)cc2oc(cc(=O)c12)-c1ccccc1
MCULE-1010776591	0.69	C1C[C@@]2(C)C(C(C)(C)C1)C(=O)C=C(C)[C@@H]2CO
MolPort-023-277-566	0.69	COc1cc(ccc1O)-c1oc2cc(C)c(C)cc2c(=O)c1O
MCULE-7528842962	0.69	C1(C)C[C@H](C)[C@@H](CC=1C)C=O
MolPort-002-508-556	0.69	Cc1ccc2c(c1)oc(cc2=O)-c1ccc2OCCOc2c1
MCULE-8374663959	0.69	C1C(C)C(C(O)=O)(C)C(C(OC)=O)CC=1
MolPort-000-676-259	0.69	CCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1
MCULE-7214232871	0.69	C1C2=CCCC(C(C)C)C2CC(C=O)C1C
MolPort-000-656-589	0.69	Oc1cc(OCc2ccc(Cl)cc2)cc2oc(cc(=O)c12)-c1ccccc1
MCULE-6541953240	0.69	C1CCC(C(C)(C(O)=O)C)=CCCC1
MolPort-002-735-905	0.69	CCOc1ccc(cc1OCC)-c1oc2ccccc2c(=O)c1O
MCULE-9185909244	0.69	C1(=O)C2C3CC(C=C3)C2C(C2C3C=CC(C3)C21)=O
MolPort-046-509-041	0.69	COc1ccc(cc1OC)-c1oc2c(O)c(OC)c(OC)c(OC)c2c(=O)c1OC
MCULE-7311176198	0.69	C(=O)(O)CCCCCCCC(O)C(O)C(O)/C=C\CCCCC
MolPort-039-338-248	0.69	COc1cc2cc(oc2cc1O)-c1cc(O)cc(O)c1
MCULE-1284522477	0.69	C12C3C4C=CC1C(C4C(=O)C3)C(=O)C2
MolPort-005-945-612	0.69	Oc1cccc(Cc2c(O)cc(O)c3c2oc(cc3=O)-c2ccccc2)c1O
MCULE-3392411245	0.69	[C@]12(O)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MolPort-000-853-772	0.69	COc1cc(OC(=O)N(C)C)cc2oc(cc(=O)c12)-c1ccccc1
MCULE-5362337107	0.69	C12(C)C(C(C)CCC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2=CC1O)O
MolPort-000-689-018	0.69	CC(C)(C)OC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-2422100047	0.69	C1(C/C=C/CC)=C(CCC1=O)CCCCCCCC(=O)O
MolPort-000-802-375	0.69	COC(=O)c1ccc(COc2cc(OCc3ccc(cc3)C(=O)OC)c3c(c2)oc(cc3=O)-c2ccccc2)cc1
MolPort-000-451-450	0.69	CCOC(=O)Oc1cc(OC(=O)OCC)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-001-839-738	0.69	CC(C)OC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-000-659-816	0.69	CC(Oc1cc(OC(C)C(O)=O)c2c(c1)oc(cc2=O)-c1ccccc1)C(O)=O
MolPort-002-510-401	0.69	Oc1c2OCCOc2cc2oc(cc(=O)c12)-c1ccccc1
MolPort-002-915-242	0.69	COc1ccc(cc1)-c1c(oc2cc(O)ccc2c1=O)-c1ccccc1
MolPort-000-675-873	0.69	Oc1ccc2oc(cc(=O)c2c1)-c1ccc(Cl)cc1
MolPort-035-705-982	0.69	COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(O)c1OC
MolPort-003-804-013	0.69	COc1cccc(c1)-c1oc2cc(OC)ccc2c(=O)c1OC
MolPort-035-705-982	0.69	COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(O)c1OC
MolPort-039-338-688	0.69	COc1cc(O)cc(c1)-c1cc2c(O)cccc2o1
MolPort-039-338-248	0.69	COc1cc2cc(oc2cc1O)-c1cc(O)cc(O)c1
MolPort-046-509-041	0.69	COc1ccc(cc1OC)-c1oc2c(O)c(OC)c(OC)c(OC)c2c(=O)c1OC
MolPort-023-277-566	0.69	COc1cc(ccc1O)-c1oc2cc(C)c(C)cc2c(=O)c1O
MolPort-035-705-977	0.69	COc1ccc(cc1)-c1oc2c(OC)c(O)c(OC)c(O)c2c(=O)c1OC
MolPort-039-338-687	0.69	COc1cccc2oc(cc12)-c1cc(O)cc(O)c1
MolPort-044-561-633	0.69	[Cl-].COc1cc(O)c2ccc([o+]c2c1)-c1ccc(O)cc1
MolPort-000-676-315	0.68	COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(OCc3ccc(Br)cc3)ccc2o1
MCULE-6212623017	0.68	C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(=C)C)CC[C@]5(C(=O)O)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O)C
MolPort-008-819-799	0.68	COc1cc(ccc1O)-c1cc(=O)c2cc(NC(C)=O)ccc2o1
MCULE-4195671425	0.68	Cl.C1(C(O)=O)C(N)C2CC1C=C2
MolPort-000-668-425	0.68	COc1ccc(cc1)-c1cc(=O)c2cc(OCC=C)ccc2o1
MCULE-8868589151	0.68	C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1
MolPort-008-818-976	0.68	Cc1cc(C)c2oc(cc(=O)c2c1)-c1ccc(O)c(Br)c1
MCULE-5053755296	0.68	C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1C
MolPort-000-668-439	0.68	COc1ccc(cc1)-c1cc(=O)c2cc(OCc3ccc(C)cc3)ccc2o1
MCULE-9408264926	0.68	OC([C@H]1[C@H](C(F)(F)F)CC=CC1)=O
MolPort-000-603-263	0.68	COc1ccc(cc1OC)-c1oc2cc(C)c(C)cc2c(=O)c1O
MCULE-6900103591	0.68	C1CC2(C)C3C=CC4=C(C(CC(O)C(O)C(O)(C)C)C)C(=O)CC4(C)C3(C)CCC2C(C)(C)C1=O
MolPort-000-676-305	0.68	COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(OCC(N)=O)ccc2o1
MCULE-5903352413	0.68	CCCCCC1CC(=CC(=O)C1)O
MolPort-000-695-884	0.68	COc1cccc(c1)-c1oc2ccc(C)cc2c(=O)c1O
MCULE-6976868103	0.68	OC1CC(=O)C(CCCCCCC(O)=O)C1/C=C/C(O)CCCCC
MolPort-002-367-351	0.68	COC(=O)C(C)Oc1cc(OC(C)C(=O)OC)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-2122490766	0.68	C1CC23CCCCC2(C(=O)OC3=O)C2CCCCC=12
MolPort-000-787-244	0.68	COc1ccc2oc(cc(=O)c2c1)-c1ccc(Br)cc1
MCULE-2517844980	0.68	O=C(CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](CCCCC)O)O
MolPort-046-763-881	0.68	COc1ccc(cc1OC(=O)c1ccccc1)-c1cc(=O)c2c(OC(=O)c3ccccc3)cc(OC(=O)c3ccccc3)cc2o1
MCULE-7065925222	0.68	C[C@]12CC=C3[C@](CCC4[C@]3(C)C=CC(=O)C=4)([H])[C@]1([H])C[C@@H](C)[C@]2(O)C(=O)CO
MolPort-000-676-323	0.68	Oc1ccc2oc(cc(=O)c2c1)-c1ccco1
MCULE-1348157475	0.68	C12CCC3[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CCC=21)O
MolPort-045-903-271	0.68	COc1ccc2oc(cc(=O)c2c1)-c1cccc(C)c1
MCULE-1102900161	0.68	[C@]1(Cl)(CC2CC1C=C2)C(O)=O
MolPort-003-938-972	0.68	[Cl-].Oc1ccc(cc1)-c1[o+]c2cc(O)cc(O)c2cc1O
MCULE-1085165933	0.68	[C@]12(C)CCC[C@](C)(C(=O)O)[C@]1([H])CCC(=C)[C@@H]2CCC(C)=CCO
MolPort-001-742-698	0.68	CC(C)=CCc1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1
MCULE-3401105479	0.68	C1CC2(C(=O)O)C3(O)CCC(C)(C=C)C=C3C(=O)CC2C(C)(C)C1
MolPort-003-699-944	0.68	Brc1ccc2oc(cc(=O)c2c1)-c1ccccc1
MCULE-2959266522	0.68	CCCCCCCC(O)/C=C\C(CCC(O)CCCC(=O)O)O
MolPort-000-648-133	0.68	Brc1ccc(cc1)-c1cc(=O)c2ccccc2o1
MCULE-5828095144	0.68	[C@@]12([H])CC[C@H](C(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
MolPort-001-825-079	0.68	CCOC(=O)COc1cc(OCC(=O)OCC)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-2845490138	0.68	[C@]123CC[C@H](C1)C(C(=C)[C@@]2([H])CC[C@@H]3C(O)=O)(C)C
MolPort-000-450-864	0.68	Cc1ccc(cc1)-c1cc(=O)c2cc(C)ccc2o1
MCULE-6569170574	0.68	C1CC2(C(C3(C(C(C(C31)(C)C)O)C=O)C)CCC1C3C(C(C)=C)CCC3(CCC21C)C(=O)O)C
MolPort-005-945-034	0.68	COc1cc(cc(OC)c1OC)-c1oc2c(OC)c(OC)cc(OC)c2c(=O)c1OC
MCULE-1087443932	0.68	C1CC2C3C(=O)OC(=O)C3C3CCCCC3=C2CC1
MolPort-000-719-189	0.68	[O-][Cl](=O)(=O)=O.Oc1cc([o+]c2c1ccc1ccccc21)-c1ccccc1
MCULE-1252077735	0.68	C1CC23CC(=O)OC(=O)C2(CCCC3)CC=1
MolPort-000-668-427	0.68	COc1ccc(cc1)-c1cc(=O)c2cc(OCc3ccccc3)ccc2o1
MCULE-7552770733	0.68	C1CC2(C)C3C(=O)CC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3C(O)CC2C(C)(C)C1=O
MolPort-000-668-440	0.68	COc1ccc(cc1)-c1cc(=O)c2cc(OCc3cccc4ccccc34)ccc2o1
MCULE-6893473009	0.68	C1(C(C)CC(/C=C(\C)/C)=O)CC(O)C(=C)C=C1
MolPort-000-676-242	0.68	CC(=O)Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1
MCULE-9857200349	0.68	C1(CCC(CC=1)C(C)(C)C)C(O)=O
MolPort-000-695-880	0.68	Cc1ccc(cc1)-c1oc2ccc(C)cc2c(=O)c1O
MCULE-7356333105	0.68	C([C@H]1CCC(=O)[C@@H]1CCCCCCC(OC)=O)=C[C@H](CCCCC)O
MolPort-003-896-963	0.68	CC(C)(C)c1ccc(COc2cc(OCc3ccc(cc3)C(C)(C)C)c3c(c2)oc(cc3=O)-c2ccccc2)cc1
MCULE-5380264709	0.68	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(OC)=O
MolPort-002-832-073	0.68	COc1ccc(cc1OC)-c1cc(=O)c2c(ccc3c(C)cc(=O)oc23)o1
MCULE-5454494701	0.68	C123CCC4C(C)(CCCC4(C)C(O)=O)C1CC(C1C(OC(=O)C21)=O)C(C(C)C)=C3
MolPort-009-015-209	0.68	COc1cc(cc(OC)c1OC)-c1oc2c(OC)c(OC)c(OC)c(OC)c2c(=O)c1OC
MCULE-2126006986	0.68	C1(C)(C(C)=O)CC=C(CC1C)CC/C=C(\C)/C
MolPort-005-945-033	0.68	COc1ccc(cc1OC)-c1oc2c(OC)c(OC)c(OC)c(OC)c2c(=O)c1OC
MCULE-8091131175	0.68	[C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(=O)C2(C)C)C(=O)[O-].[K+]
MolPort-001-572-500	0.68	CCOc1ccc(cc1)-c1oc2ccccc2c(=O)c1O
MCULE-2846082692	0.68	C(C(C1(C)C2C(C2C(=O)C=C1C(O)=O)(C)C)C)C(O)=O
MolPort-002-903-951	0.68	CCOC(=O)COc1ccc2c(c1)oc(cc2=O)-c1ccccc1
MCULE-9427917092	0.68	C1(CCC=C(C)C)CC(C)C(CC=1)C=O
MolPort-000-655-197	0.68	Oc1cc(OCc2ccccc2Cl)cc2oc(cc(=O)c12)-c1ccccc1
MCULE-8228429125	0.68	C1C2(C(C=C(C(=O)O)C2CC(O)=O)CC1(C)C)C(=O)CO
MolPort-001-801-578	0.68	CC(C)(C)OC(=O)COc1cc(OCC(=O)OC(C)(C)C)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-2112175098	0.68	CC(C1C2C3C(C)(CCC2(C(O)=O)CC1)C1(C)C(C2(C)C(CC1)C(CO)(C)C(O)CC2)CC3)=C
MolPort-039-338-851	0.68	COc1cc(O)c2c(oc(cc2=O)-c2c(O)cccc2O)c1OC
MCULE-7591578797	0.68	[C@H]1(CCCCCCC(=O)O)C(=O)C[C@@H](O)[C@@H]1C=C[C@@H](O)CCCCC
MolPort-000-659-815	0.68	CCOC(=O)C(C)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-1383087393	0.68	C1=C[C@@]([H])([C@H](CC(/C=C(/C)\C)=O)C)C[C@H](O)C1=C
MolPort-002-536-358	0.68	COc1cc2oc(cc(=O)c2c(O)c1CN(C)C)-c1ccccc1
MCULE-8275719671	0.68	C1CC(C)(CCC=1CC/C=C(\C)/C)C=O
MolPort-005-944-638	0.68	COc1c(O)cc(O)c2c1oc(-c1ccccc1)c(OC)c2=O
MCULE-3213163274	0.68	COC1C(C2(C(O)=O)CC=CC2)CCC1
MolPort-035-706-534	0.68	COc1cc(O)c2c(oc(cc2=O)-c2ccccc2O)c1OC
MCULE-7890127494	0.68	C12CCC(=O)C(C)=C1C=CC1CC(O)C(O)CC21
MCULE-6191127237	0.68	O=C1CCC2C(=C1C)C=CC1(C)C2CC(O)C(O)C1
MCULE-7281449678	0.68	C1(CC/C=C(/C)\C)CC(C)C(CC=1)CO
MCULE-3459478440	0.68	CC(C(CC1CC=CC1)=O)(O)C
MCULE-6711156232	0.68	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
MCULE-5848120811	0.68	C1(=C)C2CCC1CC(C(O)=O)C2
MCULE-1525311774	0.68	Cl.[C@@H]1(C(O)=O)[C@H](N)[C@]2(C[C@]1([H])C=C2)[H]
MCULE-5160344949	0.68	O=C1C2C3C=CC(C3)C2C2C1C1CC2C=C1
MCULE-1944708514	0.68	C12CC(C=C1)CC2C(C)=O
MCULE-5918636692	0.68	C1(=O)[C@H](CCCCCCC(=O)O)[C@@H](C=C[C@@H](O)CCCCC)[C@H](O)C1
MCULE-6471729935	0.68	C1CC2[C@@]3([H])CC[C@]4(C)[C@@](C#C)(O)CC[C@@]4([H])[C@]3([H])[C@H](C)CC=2CC1=O
MCULE-3558747073	0.68	[C@]12(CC[C@]3([C@@](CC[C@@]4([H])[C@](C)(CO)[C@H](CC[C@]34C)O)([C@]1(C)CC[C@@]1(C(O)=O)CC[C@@H](C(C)=C)[C@@]12[H])C)[H])[H]
MCULE-1210480263	0.68	C1CC(C(=O)OCC)CCC=1
MCULE-5757363366	0.68	C12C3C4C=CCC4C1C(C)(C(OC)=O)C1C4CCC5(C)C(O)C3(C)C(C45)C21
MCULE-9150714373	0.68	C1(C(C)(C)CCCC=1C)C(O)=O
MCULE-5248179465	0.68	CCCCCC(C=CC1C(CCCCCCC(=O)O)C(=O)CC1O)O
MCULE-2797527002	0.68	C1(C(=O)O)=CCC(CCCCCC)CC1
MCULE-3020807810	0.68	C1=CC2CC1C(C2)C=O
MCULE-9103372368	0.68	C1(=O)C2C3CCC(C=C3)C2C(=O)O1
MCULE-4665716653	0.68	N(CC)(CC)CC.C12(C)CCC(O)CC1=CCC1C2CCC2(C)C(CCC21)(O)CCC(O)=O
MCULE-5587193921	0.68	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCC(OC)=O
MCULE-3025026991	0.68	C[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1[C@@H](CC3=C([C@H]1CC2)CCC(=O)C3)C
MolPort-001-802-998	0.68	CN(C)C(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-9513706661	0.68	C1CC2(C(CCC(C2CC/C(=C\CO)/C)=C)C(C1)(C(=O)O)C)C
MolPort-005-945-165	0.68	COc1ccc2oc(cc(=O)c2c1OC)-c1c(OC)cccc1OC
MCULE-3719801152	0.68	[C@@H]1(O)C[C@@]2(C3CCC4C5[C@H](C(C)=C)CC[C@]5(C(=O)O)CC[C@]4([C@]3(C)CCC2C([C@H]1O)(C)C)C)C
MolPort-000-676-444	0.68	COc1ccc(cc1OC)-c1oc2ccccc2c(=O)c1OC
MCULE-4162330770	0.68	C1CC2=CC(=O)C(C(=C)C)CC2(CO)C(C)C1O
MolPort-002-367-358	0.68	Oc1cc(OCc2ccccc2F)cc2oc(cc(=O)c12)-c1ccccc1
MCULE-2817082882	0.68	C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/CO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
MolPort-000-668-443	0.68	COc1ccc(cc1)-c1cc(=O)c2cc(OCC#N)ccc2o1
MCULE-9554247289	0.68	C1CC2(CO)CC(C)(C)CC2(CO)CC=1
MolPort-039-338-851	0.68	COc1cc(O)c2c(oc(cc2=O)-c2c(O)cccc2O)c1OC
MCULE-3750924928	0.68	C1C(C=O)=C[C@H](O)[C@@H](C(C)C)C1
MolPort-035-706-534	0.68	COc1cc(O)c2c(oc(cc2=O)-c2ccccc2O)c1OC
MCULE-8776636782	0.68	C1CC23C(=O)OC(=O)C2(CCCC3)CC=1
MolPort-046-763-881	0.68	COc1ccc(cc1OC(=O)c1ccccc1)-c1cc(=O)c2c(OC(=O)c3ccccc3)cc(OC(=O)c3ccccc3)cc2o1
MCULE-2979260832	0.68	C1CC2(CO)CCCC2(CO)CC=1
MolPort-045-903-271	0.68	COc1ccc2oc(cc(=O)c2c1)-c1cccc(C)c1
MCULE-7258934827	0.68	C1C[C@@]2(C)[C@]([H])(/C=C/C(=O)C)C(=C)CC[C@]2([H])[C@](C(O)=O)(C)C1
MolPort-000-854-894	0.68	COc1cc2oc(cc(=O)c2c([O-])c1C[NH+](C)C)-c1ccccc1
MCULE-7323379876	0.68	C1C2(CO)CCC2(CO)CC=C1
MolPort-021-745-737	0.67	CSc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1
MolPort-035-946-515	0.67	CC(C)Oc1ccc(cc1)-c1oc2ccccc2c(=O)c1O
MolPort-007-981-717	0.67	CCOc1ccc(cc1)-c1cc(=O)c2ccc(N)cc2o1
MolPort-000-597-010	0.67	COc1ccc(cc1)-c1oc2cc(C)ccc2c(=O)c1O
MolPort-008-818-979	0.67	COc1cccc(c1O)-c1cc(=O)c2cc(C)cc(C)c2o1
MCULE-6837855043	0.67	C12(C(C)=O)C3C4C5C(C1(C(C)=O)C4C=C3)C=CC25
MolPort-002-834-822	0.67	CC(C)Oc1ccc(cc1)-c1cc(=O)c2c(OC(C)C)cc(OC(C)C)c(I)c2o1
MCULE-5212919737	0.67	CC(C(CC1C2C=CC(CC2)C1)=O)=C
MolPort-003-804-015	0.67	COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(=O)c4c(O)cc(O)cc4o3)c2o1
MCULE-4540266032	0.67	C(O)(=O)CC1CCCC1C=C
MolPort-000-695-886	0.67	CCOc1ccc(cc1)-c1oc2ccc(C)cc2c(=O)c1O
MCULE-7855057974	0.67	O=C(C1CCC1)CC1C2C=CC(CC2)C1
MolPort-000-659-507	0.67	Clc1ccc2oc(cc(=O)c2c1)-c1ccc2OCCOc2c1
MCULE-3406692868	0.67	CC1(C(CC2C3C=CC(CC3)C2)=O)CC1
MolPort-000-676-313	0.67	COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(OCc3ccc(F)cc3)ccc2o1
MCULE-1280449807	0.67	CC1C(C(CC2C3C=CC(CC3)C2)=O)C1
MolPort-006-113-296	0.67	[Cl-].COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O
MCULE-4617598220	0.67	CC(C1(C(O)=O)CC2(CCC2)C1)C=C
MolPort-004-930-858	0.67	COc1ccc(cc1OC)-c1cc(=O)c2cc(NC(C)=O)ccc2o1
MCULE-9715251524	0.67	C1(CC2CCC1(OC)C=C2)C(OC)=O
MolPort-000-450-854	0.67	Cc1ccc(cc1)-c1cc(=O)c2cc(Br)ccc2o1
MCULE-5866062254	0.67	O=C(C1CC1)CC1C2C=CC(CC2)C1
MolPort-002-151-625	0.67	Cc1ccc(cc1)-c1cc(=O)c2ccc(C)cc2o1
MCULE-7704943892	0.67	C1(CC)CC(=O)CCCCC=C1
MolPort-008-818-970	0.67	COc1cc(cc(Br)c1O)-c1cc(=O)c2cc(C)cc(C)c2o1
MCULE-7790352459	0.67	C[C@@]1([C@H](CC2CCCC=2)CCCC1)O
MolPort-001-524-693	0.67	COc1cc(cc(OC)c1OC)-c1oc2ccc(Cl)cc2c(=O)c1O
MCULE-4888197133	0.67	C1(=O)CC2(C)C(CCC(C)CCO)C(=C)CCC2C(C)(C)C1
MolPort-042-675-382	0.67	CC(C)=CCc1cc(ccc1O)-c1cc(=O)c2cc(CC=C(C)C)c(O)cc2o1
MCULE-7634595841	0.67	C1CC2(C)C(=O)C3(CC(C=C)(C)CC3O)CCC2C(C(=O)O)(C)C1
MolPort-035-946-519	0.67	CCOc1ccc2oc(-c3ccc(OC)cc3)c(O)c(=O)c2c1
MCULE-8714614317	0.67	C=CC(CC1C2C=CC(CC2)C1)=O
MolPort-003-722-803	0.67	Cc1ccc2c(c1)oc(cc2=O)-c1ccc2OCCCOc2c1
MCULE-5060620930	0.67	CC(C=O)(CC1C2C=CC(CC2)C1)C
MolPort-000-602-563	0.67	Cc1cc2oc(-c3ccccc3)c(O)c(=O)c2cc1C
MCULE-4852376400	0.67	O=CCCC1C2C=CC(CC2)C1
MolPort-002-512-756	0.67	COc1ccc(cc1OC)-c1ccc2ccccc2[o+]1
MCULE-6020208251	0.67	O[C@@H]1C(C)(C)[C@@]2([H])[C@](C3CC[C@]4(C)[C@@](CC[C@H]4[C@H](C)CC/C=C(/C)\C)(C)C=3CC2)(C)CC1
MolPort-003-845-114	0.67	Oc1c(oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2c1=O)-c1ccc(OCc2ccccc2)cc1
MCULE-3247130765	0.67	OC1CC(CC2CC=CCC2)CCC1
MolPort-003-582-551	0.67	Nc1ccc2oc(cc(=O)c2c1)-c1ccccc1
MCULE-1097149426	0.67	OC1C(CC2CC=CCC2)CCCC1
MolPort-046-688-830	0.67	Oc1cc(OCc2ccccc2)cc2oc(cc(=O)c12)-c1ccc2OC(Oc2c1)(c1ccccc1)c1ccccc1
MCULE-2582951504	0.67	C1CC2(C)C(C(O)=O)=CCC2C(C)(C)C1
MolPort-001-955-842	0.67	Cc1ccc2oc(cc(=O)c2c1)-c1cccc(Br)c1
MCULE-1536375497	0.67	CC1(C(CC2CCCC=2)CCCC1)O
MolPort-004-955-072	0.67	Oc1ccccc1-c1oc2ccccc2c(=O)c1O
MCULE-4639928435	0.67	C1CC2(C)C3CCC4(C)C(C(C)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MolPort-002-118-661	0.67	COc1ccc2oc(cc(=O)c2c1)-c1ccccc1C
MCULE-9310117393	0.67	C1CC2(C)C3CCC(C)(C=C)C=C3C(O)CC2C(C(=O)O)(C)C1
MolPort-000-648-131	0.67	Oc1c(oc2ccccc2c1=O)-c1ccc(Br)cc1
MCULE-6347280691	0.67	OC(C1(CC=CC1)CC1(C#N)CC1)=O
MolPort-001-955-844	0.67	COc1ccc2oc(cc(=O)c2c1)-c1cccc(Br)c1
MCULE-4264397804	0.67	COC([C@@]1(CC=CC[C@]1(C(OC)=O)[H])[H])=O
MolPort-000-668-406	0.67	CCC(=O)Oc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)cc1
MCULE-3947647621	0.67	N[C@H]1C=CC[C@H](C(O)=O)C1
MolPort-003-935-844	0.67	[Cl-].COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O
MCULE-3919531574	0.67	C1CC(CCC=1C)C(C)CO
MolPort-000-668-409	0.67	COc1ccc(cc1)-c1cc(=O)c2cc(OC(=O)C(C)(C)C)ccc2o1
MCULE-7859787767	0.67	CC(C(CC1CC=CCC1)=O)(C)C
MolPort-000-668-408	0.67	COc1ccc(cc1)-c1cc(=O)c2cc(OC(=O)C(C)C)ccc2o1
MCULE-1327121373	0.67	CC(CC1(C(O)=O)CC2(CCC2)C1)=C
MolPort-000-005-902	0.67	COc1cccc(c1N)-c1cc(=O)c2ccccc2o1
MCULE-1872459490	0.67	C(C[C@@]1(/C(/CC[C@@]2([H])[C@]3(C)CC[C@]([H])([C@@H](CC/C=C(\C)/C(=O)O)C)[C@@]3(C)CC[C@]21C)=C(\C(O)=O)/C)[H])C(O)=O
MolPort-005-945-453	0.67	COc1ccc2oc(cc(=O)c2c1OC)-c1ccccc1OC
MCULE-3556948980	0.67	C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@](C(O)=O)(C)C1
MolPort-002-367-362	0.67	Oc1cc(OCc2c(Cl)cccc2Cl)cc2oc(cc(=O)c12)-c1ccccc1
MCULE-2870645391	0.67	C12(C3C4C5C1C=CC5C2(CO)C4C=C3)CO
MolPort-001-742-603	0.67	COc1cc(OC)c2c(c1)oc(-c1ccccc1)c(OC)c2=O
MCULE-8099197121	0.67	C1(=O)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
MolPort-001-838-312	0.67	Cc1cc2oc(cc(=O)c2cc1C)-c1ccc2OCCOc2c1
MCULE-6354515204	0.67	C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=O)C(=C)CC[C@@]2([H])[C@@](C(O)=O)(C)C1
MolPort-001-015-460	0.67	Oc1c(oc2ccccc2c1=O)-c1ccc2OCOc2c1
MCULE-5371316798	0.67	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC[C@@]2([H])C[C@H]1O
MolPort-000-695-890	0.67	CCOc1ccc(cc1OC)-c1oc2ccc(C)cc2c(=O)c1O
MCULE-9560150043	0.67	C1=CCC2(C(C1)(C(OC)=O)CCCC2)C#N
MolPort-035-705-970	0.67	COc1ccc(cc1)-c1cc(=O)c2c(OC(C)=O)c(C)c(OC)c(C)c2o1
MCULE-5491138764	0.67	C1(=O)C2C(C)C=C(CC2C(=O)O1)C
MolPort-001-836-330	0.67	Brc1ccc2oc(cc(=O)c2c1)-c1ccc2OCCOc2c1
MCULE-9426101692	0.67	OC(C1CC=CCC1)CC1CC=CC1
MolPort-046-688-830	0.67	Oc1cc(OCc2ccccc2)cc2oc(cc(=O)c12)-c1ccc2OC(Oc2c1)(c1ccccc1)c1ccccc1
MCULE-5845924187	0.67	OCCC1(C(O)=O)CC=CC1
MolPort-021-745-737	0.67	CSc1ccc(cc1)-c1cc(=O)c2cc(O)ccc2o1
MCULE-5844706578	0.67	C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@@](C(O)=O)(C)C1
MolPort-035-946-515	0.67	CC(C)Oc1ccc(cc1)-c1oc2ccccc2c(=O)c1O
MCULE-4713145304	0.67	C1C[C@]2(C)[C@@]([H])(CC[C@@H](C)CCO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
MolPort-042-675-382	0.67	CC(C)=CCc1cc(ccc1O)-c1cc(=O)c2cc(CC=C(C)C)c(O)cc2o1
MCULE-8590044340	0.67	C1(CC=CCC1C(OC)=O)C(O)=O
MolPort-035-946-519	0.67	CCOc1ccc2oc(-c3ccc(OC)cc3)c(O)c(=O)c2c1
MCULE-1774826218	0.67	C1CC(C)(C(O)=O)C(C(OC)=O)([H])CC=1
MolPort-035-705-970	0.67	COc1ccc(cc1)-c1cc(=O)c2c(OC(C)=O)c(C)c(OC)c(C)c2o1
MCULE-2989209658	0.67	C1(CO)(CO)CC=C(CC1C)C
MCULE-8719465843	0.67	C12(C)CCC([H])(C(C)CC/C=C(\C)/C)C1(C)CCC1C3(C([H])(C(C)(C)C(CC3)O)CCC2=1)C
MCULE-3773650223	0.67	C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
MCULE-6534635803	0.67	C12(CC1)C1C=CC2C2C1C(=O)C1C(C2=O)C2C3(CC3)C1C=C2
MCULE-8621711737	0.67	C12([H])CCC=CCCC1(C2C(OC)=O)[H]
MCULE-6531167311	0.67	CC(CCC1C2C=CC(CC2)C1)=O
MCULE-2519092915	0.67	C1CCC2(C)C3CCC(C(C)C)=CC3=CCC2C1(C(=O)OC)C
MCULE-5776284238	0.67	C12CC(C=C1)C(CO)C2CO
MCULE-3830868177	0.67	CC1CC(CC2CC=CCC2)C(=O)CC1
MCULE-7419185648	0.67	C1(CCC=CC1N)C(O)=O
MCULE-2936092419	0.67	CC(C(C)=O)CC1C2C=CC(CC2)C1
MCULE-3353799719	0.67	[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(C)=O
MCULE-5919685636	0.67	[C@@H]1(CCC=C[C@H]1N)C(O)=O
MCULE-2496032129	0.67	OC(C1(CC=CC1)CC1CCOCC1)=O
MCULE-9320911552	0.67	CCC(C(O)C(C(=O)C(C)/C=C(/CC(C(C(C(=O)OC)C)O)C)\C)C)C
MCULE-4660002495	0.67	COC([C@@]1(CC=CC[C@]1(C(O)=O)[H])[H])=O
MCULE-6436563816	0.67	C(CCCCCC)CC1CC=1CCCCCCCC(=O)OC
MCULE-8942246758	0.67	C1(C(O)=O)CC(=O)/C(=C(/C2CC2)\O)/C(=O)C1
MCULE-1183560917	0.67	C1(=O)C[C@@]2([C@]([H])(C/C/1=C(\C)/C)[C@@]2([H])CC[C@H](O)C)C
MCULE-8008111833	0.67	[C@]12(CO)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
MCULE-9253743476	0.67	CC1([C@H](OC(=O)C)CC[C@@]2(C)[C@H]1CCC1[C@@]3(C)[C@]([C@@H]([C@H](C(=O)O)CC/C=C(/C)\C)CC3)(C)CCC=12)C
MCULE-1741751705	0.67	C[C@]12[C@@]3(CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC=C1[C@H]1[C@H](CCC(C1)(C)C)CC2)C
MCULE-7610148262	0.67	C1C(C(=O)O)(C)C=CCC1
MCULE-2663447615	0.67	CC1(C(F)(F)C1)CC1(C(O)=O)CC=CC1
MCULE-3559356203	0.67	O=C1CCC2(CO)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)=O
MCULE-3588534045	0.67	C12(C)CCCC(C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
MCULE-9301209033	0.67	[C@]12(CO)CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H]
MCULE-4904314440	0.67	[Na+].C12(C)C(CCC1(C)C(=O)[O-])C(=C2)Br
MCULE-1853994027	0.67	CC1(C(C2C=CCCC2)(C=O)CCO1)C
MCULE-3788851533	0.67	[C@]12(C)CCC[C@@](C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
MCULE-6927409255	0.67	C12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)C=1CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CC/C=C(/C)\C
MCULE-3836274754	0.67	C12CC(C=C1)C(CO)(CO)C2
MCULE-2814899152	0.67	O=CC1(CCCCC1)CC1CC=CCC1
MCULE-3157582211	0.67	OC(C1(C2C(C#N)CCC2)CC=CC1)=O
MCULE-6862768146	0.67	OC(C1(CC=CC1)CC1C(F)(F)C1)=O
MCULE-7009109930	0.67	C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)CO)C)CCC4(C)C3=CCC2C(C)(C)C1=O
MCULE-3531952070	0.67	C1CC2(C)C3CCC4(C)C(C(C(=O)/C=C(\C)/C(O)(C)C)C)CCC4C=3CCC2(O)C(C)(C)C1O
MCULE-7341595899	0.67	C1(CO)(CO)CC=C(CC1C)CC/C=C(\C)/C
MCULE-5486459234	0.67	OC(C1(CC2(CCC2)C1)CC=C)=O
MCULE-6692951185	0.67	[C@@]12(C)CC[C@H]([C@H](C)CC/C=C(/C)\C)[C@@]1(C)CCC1[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)O)CCC2=1)C
MCULE-7228704167	0.67	[C@@H]1(C(O)=O)[C@H](N)C=CCC1
MCULE-4351701102	0.67	C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CC[C@@]21O)C(C)=O
MCULE-7887886977	0.67	CC(C1(C(O)=O)CC=CC1)CO
MCULE-2344630269	0.67	C1(CCC(C)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
MCULE-7179291516	0.67	[C@@H]1(CC=CC[C@H]1C(=O)O)C(=O)OC
MCULE-8998480466	0.67	C1(CC=CCC1)C(N)C(=O)O
MCULE-6649773698	0.67	C1CC2(C(CCC(C2CC/C(=C\CO)/CO)=C)C(C(O)=O)(C)C1)C
MCULE-3449539268	0.67	C1CC2(C3CCC4C5C(C(C)=C)CCC5(CCC4(C(O)=O)C3(C)CCC2C(C)(C1O)C(=O)O)C(O)=O)C
MCULE-5127489047	0.67	C12=CC[C@@]3([C@](C)(CC[C@H](O)[C@H]3C)C1CC[C@]1(C)[C@H](CCC12)[C@H](C)CCC(C(C)C)=CC)[H]
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MCULE-9024219601	0.67	C1C2(CO)C(CCC3C2CCC2(C)C3CCC2=O)=CC(=O)C1
MCULE-4219960237	0.67	[C@@H]1(C(OC)=O)CC=CC[C@H]1C(O)=O
MCULE-8330160340	0.67	[C@@]12(C)CCC[C@@](C)(C(O)=O)[C@@]1([H])CCC(=C)[C@H]2CCC(C)CCO
MCULE-6577726631	0.67	CC1([C@@]2([H])[C@](C3CC[C@@]4(C)[C@@](C)(CC[C@@H]4[C@@H](CCCC(C)C)C)C=3CC2)(C)CC[C@@H]1O)C
MCULE-8100043699	0.67	O=CC1C(/C=C/C=C/CCC)CC(O)C(O)C1=O
MCULE-7659859570	0.67	[C@]12(C)CC(C)=C(C[C@@]1([H])C(C(C(C)=O)C2=O)=O)C
MCULE-6689462252	0.67	OCCCC1C2C=CC(CC2)C1
MCULE-6283271359	0.67	[C@H]1(CCCCCCC(=O)OC)C(=O)C[C@@H](O)[C@@H]1C=CC[C@@](C)(O)CCCC
MCULE-8152778304	0.67	C1(CO)(CO)CCC(=CC1)C
MCULE-7688397006	0.67	O(C)C([C@@H]1CC=CC[C@H]1C(=O)OC)=O
MCULE-4576776987	0.67	C1(C2C3C4CC4(C4CCC(=C4CC3(CO)CCC2(C(C1)O)C)C(O)=O)C)C(C)C
MCULE-2907287296	0.67	C1C(CC2C1(C(C(C(=O)O)=C2)CC(O)=O)C(=O)C)(C)C
MCULE-2960240255	0.67	O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@H]5[C@]4(C)CC[C@H]23)C1(C)C
MCULE-5494176046	0.67	O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@@H](CC[C@]5(C)[C@H]4CC[C@H]23)O)C1(C)C
MCULE-4860470388	0.67	O(C)C([C@@H]1CC=CC[C@H]1C(=O)O)=O
MCULE-6086633267	0.67	C12(CCC(C(C)(C)C1=C)(C(O)=O)C2)C(O)=O
MCULE-6742532196	0.67	C1(C)(CCC(=C)C1(C)C)C(=O)C(O)=O
MCULE-9070724061	0.67	C1(C)(CCC(=C)C1(C)C)C(O)C(O)=O
MCULE-7051383473	0.67	C1(C)(C)C(=C)CCC1C(O)C(O)=O
MCULE-5507744017	0.67	C1([C@H](CO)C(=O)[C@H](O)[C@H](O)C1)/C=C/C=C/CCC
MCULE-7089035597	0.67	C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(C)CCC(C)C(C)C21[H])[H]
MCULE-7223852983	0.67	[C@H]1(C(O)=O)[C@@H](N)C=CCC1
MCULE-4436654330	0.67	C1=CC2C3CC3C1C(CO)C2CO
MCULE-7821346211	0.67	C123C4C5C6C(C1(C(=O)CCC2=O)C5C=C4)C=CC36
MCULE-4393909687	0.67	C1CC2(C)C(CCC(C)CC(=O)O)C(=C)CCC2C(C)(C(=O)O)C1
MCULE-4490380859	0.67	O=C1CCC2(C)C3CC=C4C5(CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2(C1(C)C)[H])[H]
MCULE-7281525757	0.67	C1(C)(C)C(CCC1=C)CC(O)=O
MCULE-5595700484	0.67	[H]C12CC=CCC1(C)C1CCC3(C)CCCC3C1C(C2)=O
MCULE-6567295142	0.67	C1=CC2C3C4C5C6(C(O)CC5C5CC(O)C26C54)C13
MCULE-7642080407	0.67	C12C=CC3C4C1C(=O)C1C(C4=O)C3C21
MCULE-5815266173	0.67	C1(CCC(=C)C1(C)C)C(=O)C(O)=O
MCULE-2778793698	0.67	C12(C)CCC(C(C)CC/C=C(\C)/C)C1(C)CCC1C3C(C(C)(C)C(CC3)O)CCC2=1
MCULE-1556522580	0.67	C1(=O)CCC=CCCCCC1
MCULE-5641241273	0.67	O=C1C2C3C=CC(CCCC3)C2C(=O)O1
MCULE-2672801418	0.67	C1(C)(CC=CC1(C)C)C(O)=O
MCULE-4992964291	0.67	C1C2C3CC(CC(=O)C)C3C(C3([H])C(=O)OC(=O)C32[H])C=1
MCULE-9808647935	0.67	[H]C12C(C)(CCC(O)C1)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-4963816026	0.67	O=C1CCC2(C)C3CCC4(C)CCC(O)C4C3CC(O)C2=C1
MCULE-5485844450	0.67	C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1OC(=O)C
MCULE-5800803041	0.67	C1CCCC23C(=O)OC(=O)C2(CC=CC3)CCCCC1
MCULE-1244370752	0.67	C1(CC2CC1C=C2)C(OCCCCOC(C1CCC=CC1)=O)=O
MCULE-7818217503	0.67	C1CCC(=O)CCCC=1
MCULE-3727435032	0.67	C(O)(C1=CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-2170216646	0.67	O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(C)=O
MCULE-1124925533	0.67	C1(C)CC23CCCCCCCCCC2(C(=O)OC3=O)CC=1
MCULE-7712069033	0.67	C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O
MCULE-6049121935	0.67	[H]C12C(C)(CCC(O)C1)C1(CCC3(C)C(C(C)CCC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-5841728721	0.67	O=C1CC2(CC=C3C4CCC(C(C)CCC(C)C(C)C)C4(C)CCC3C2(C)C1)[H]
MCULE-5145834120	0.67	C1(C)(C(C)=C)CC1C(O)=O
MCULE-8110589241	0.67	C12CC1C1C=CC2C(C1C(=O)OC(C)C)C(O)=O
MCULE-7932579394	0.67	O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2=C1)C(CO)=O
MCULE-2810354958	0.67	C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-5304256304	0.67	C(=O)(CCCC=C)CCCCCC(=O)O
MolPort-000-580-608	0.66	COc1ccc(cc1OC)-c1oc2c(C)cc(C)cc2c(=O)c1O
MolPort-001-838-263	0.66	Oc1cc(OCc2ccc(Cl)cc2Cl)cc2oc(cc(=O)c12)-c1ccccc1
MolPort-003-898-445	0.66	Clc1ccccc1COc1cc(OCc2ccccc2Cl)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-003-898-444	0.66	Fc1ccccc1COc1cc(OCc2ccccc2F)c2c(c1)oc(cc2=O)-c1ccccc1
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MCULE-9740579162	0.64	C1(C(C)=O)CC(=O)C(C)=CC1
MCULE-1091799520	0.64	OC1([C@@H]2C=C[C@@H](C2)C1)CC1CC=CC1
MCULE-5396685230	0.64	C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(C)C(O)CCC(O)(C)C)=O
MCULE-4964860916	0.64	C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(O)(C)C(O)CCC(C)C)=O
MCULE-7455827757	0.64	C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
MCULE-8461044873	0.64	C1(C(CC(O)=O)C(C)=O)C(=O)CC(CC=1O)(C)C
MCULE-3060260292	0.64	CC(C1(C2C=CC(C2)C1)O)C
MCULE-5943346302	0.64	CCCC1(C2C=CC(C2)C1)O
MCULE-1617847451	0.64	CCC1(C2C=CC(C2)C1)O
MCULE-8431742814	0.64	O=C1C(C)CC(C)C(O)=C1
MCULE-8065006413	0.64	CC1C(CC/C=C(\C)/C)(O)CCCC1
MCULE-9677910881	0.64	CC1CC(CC/C=C(\C)/C)(O)CCC1
MCULE-7216680812	0.64	CC(CC(C1(C2C=CC(C2)C1)O)C)C
MCULE-7919759875	0.64	CC1([C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)CC(=O)C=12)O)C
MCULE-1233983645	0.64	CC12C3CCC4(O)C(CC3(C4)CCC1C(C(O)=O)(C)CCC2)=C
MCULE-4167735225	0.64	C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21O)[C@H](C)[C@H](O)CCC(O)(C)C)=O
MCULE-4736378843	0.64	CC(C=O)(CC1CC=CCC1)C
MCULE-7037894510	0.64	[C@]12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
MCULE-4078078854	0.64	CC(C(C)=O)CC1CC=CCC1
MCULE-4622236046	0.64	O=C(C1CCOCC1)CC1CC=CCC1
MCULE-7843809650	0.64	OCC1CC=CCC1
MCULE-1091603091	0.64	C1=C(C)CC[C@@](C)(CCC(C)O)C1C
MCULE-7534551137	0.64	CC1C(CO)CC=CC1
MCULE-4801332089	0.64	C12(CCC(C(=C)C1(C)C)C2)C(OC)=O
MCULE-3892173219	0.64	C(CCCCCCCC=C)(O)=O
MCULE-5549887798	0.64	C12C(CCC3([H])C[C@H](O)CC[C@]13C)C1CCC(C(C)CCC(OC)=O)[C@]1([C@@H](OC)C=2)C
MCULE-6238783971	0.64	[C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
MCULE-3124657861	0.64	C1[C@]2(CCOC(C)(C)C2)CCC(=O)C=1
MCULE-2555944797	0.64	CC1C(C2C=CCCCCC2)C(=O)CO1
MCULE-7241385729	0.64	C1(=O)C=C(C)CC(C)(C)C1C(C)=O
MCULE-5816353779	0.64	O1C(=O)C2C(CC(=CC2)CC/C=C(\C)/C)C1=O
MCULE-2458365976	0.64	C1CC2(C)CCC(C(=C)C(=O)O)CC2C(O)(C)C1O
MCULE-1638755617	0.64	O=C(C)C1C(C=C(C)CC1)=O
MCULE-7184104452	0.64	C12CCC(C=C1)C(C(O)=O)=C2C(O)=O
MCULE-2793674012	0.64	CC(C1C2(C)C(O)C(C3C4(C)CCC(O)C(C)(C)C4CC(=O)C=3C2(C)C(=O)C1)=O)CC(CC(C(O)=O)C)=O
MCULE-2215895979	0.64	C1=C(C)CCC(C)(CCC(CC)O)C1C
MCULE-7928135942	0.64	C(CCCCCCCCC=C)(O)=O
MCULE-9660893096	0.64	C12=CC(=O)[C@]3([C@](C)(C[C@@H]([C@H](O)C3)O)[C@@]1([H])CC[C@]1(C)[C@@](CC[C@@]21O)([H])[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
MCULE-5501982482	0.64	[H]C12C3(C)CCC(O)CC3(O)CC=C1C1CCC(C(C)C=CC(C)C(C)C)C1(C)CC2
MCULE-6906348244	0.64	C(C)(=O)OC1CCC2(C)C([H])(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21C)=O
MCULE-9368478699	0.64	O=C1[C@]2([H])[C@]([C@@]3(C=C[C@@]2([H])C3)[H])(C)C(=O)O1
MCULE-8078256499	0.64	OC1(C2CCCC2)C2C=CC(C2)C1
MCULE-9706743745	0.64	C1C[C@]2(C)[C@]3([H])CC[C@@]4(O)C(=C)C[C@@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
MCULE-6358122731	0.64	CC(CC1(C2C=CC(C2)C1)O)C
MCULE-2519662703	0.64	CC(C1(C2C=CC(C2)C1)O)(C)C
MCULE-3563281112	0.64	CCC(C1(C2C=CC(C2)C1)O)C
MCULE-7237464277	0.64	CCCCC1(C2C=CC(C2)C1)O
MCULE-4778747911	0.64	C1C(O)C2(C)CCC(C(O)(C)C)C=C2C(C)C1
MCULE-1655274985	0.64	C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CCC21O)C(C)(O)C(O)CCC(C)(C)O
MCULE-7974840074	0.64	C(CCCCCCCCC(CCCCCC(O)=O)=O)=C
MCULE-7543573924	0.64	C(C1CC=CCC1C)=O
MCULE-9048517900	0.64	C1C=CCC(CO)(C)C1
MCULE-3981843538	0.64	C12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
MCULE-5994930115	0.64	NOCC1C2C=CC(CC2)C1
MCULE-3754202975	0.64	C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
MCULE-9416510641	0.64	C1(=O)[C@H]2[C@H]3C[C@H](C=C3)[C@H]2C(=O)O1
MCULE-2031126090	0.64	C1CC2(C)C3=CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CC(O)C4(C)C3=CCC2C(C)(C)C1=O
MCULE-3179520262	0.64	C1(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C(=O)O1
MCULE-6863504457	0.64	O=C(CCCCC(O)=O)CCCCCCCCC=C
MCULE-7718531263	0.64	C1(=O)C2C3CC(C=C3)C2C(=O)O1
MCULE-6674917264	0.64	C(CCC=C(C)CC)(O)=O
MCULE-3735012527	0.64	C[C@@]1([C@@]2([H])[C@]([C@]3(CC[C@@]4(C[C@]3(CC2)CC4=C)O)[H])(C)CCC1)C(=O)O
MCULE-7331730341	0.64	C1(C(CO)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-6834807417	0.64	C1C2(CCOC(C)(C)C2)CCC(=O)C=1
MCULE-7212307650	0.64	C1CC2CC1C1=C2C2CC1C1C(=O)OC(=O)C12
MCULE-1695863761	0.64	C12C(CCC3([H])CC(O)CCC13C)C1CCC(C(C)CCC(OC)=O)C1(C(OC)C=2)C
MCULE-8643661135	0.64	O=C1C2C3C4C=CC4C(C=C3)C2C(=O)O1
MCULE-7604831622	0.64	C1(C)(CCC(=CBr)C1(C)C)C(O)=O
MCULE-6690425983	0.64	C1=CC2C3C(C)=C(C)C3C1C1C(=O)OC(=O)C12
MolPort-003-937-170	0.64	Nc1ccc2c(c1)oc(cc2=O)-c1ccccc1
MCULE-3121556913	0.64	[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)CO)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MolPort-022-376-970	0.64	Cc1cc(=O)c2c(C)cc(O)cc2o1
MCULE-2236994087	0.64	C1(CCC(CC=1)C(C)=C)C(O)=O
MolPort-000-676-244	0.64	CCOC(=O)Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1
MCULE-4967241885	0.64	C1(C)C2C3C(=O)OC(=O)C3C(C2)C=1
MolPort-000-478-149	0.64	CN(C)c1ccc(cc1)-c1oc2ccccc2c(=O)c1O
MCULE-8411365540	0.64	O=C1[C@@H]2C=C[C@@H](CC2)C1
MolPort-000-715-128	0.64	COc1cc(cc(=O)c2c(C)oc(C)c12)-c1ccc(O)c(O)c1
MCULE-9909269217	0.64	C1CC21C(C1C(=O)OC(=O)C1)C=CC2C
MolPort-001-909-461	0.64	CCOc1cc(ccc1O)-c1cc(O)c2c(C)oc(C)c2c(=O)c1
MCULE-1821855723	0.64	C1(CC2(C3CCC4(C(CCC4C(C(O)CC(C)C(O)(C)CO)(C)O)(C3=CC(C2CC1O)=O)O)C)C)O
MolPort-000-478-148	0.64	CN(C)c1ccc(cc1)-c1oc2c3ccccc3ccc2c(=O)c1O
MCULE-9145826081	0.64	C1=CC2CC(O)C3C(C)(O)CC1C23
MolPort-003-803-086	0.64	COc1cc(O)c2c(c1)oc(C)cc2=O
MCULE-8466128773	0.64	[C@H]1(O)C[C@]2(C)C3CC[C@]4(C)[C@@H]([C@@H]([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MolPort-001-949-957	0.64	CCOc1ccc(cc1)-c1cc(O)c2c(C)oc(C)c2c(=O)c1
MCULE-8251326522	0.64	C=C1C[C@@]23[C@](CC[C@@]1(C2)O)([H])[C@@]1(C)[C@]([C@@](CCC1)(C(=O)O)C)([H])CC3
MolPort-044-727-295	0.64	COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1-c1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
MCULE-6571932731	0.64	C=CCCCCCC(=O)O
MolPort-000-668-452	0.64	CCOC(=O)COc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)cc1
MCULE-2837812117	0.64	C=C(C)CCCCC(=O)O
MolPort-000-702-119	0.64	[O-][Cl](=O)(=O)=O.COc1ccc(cc1OC)-c1ccc2ccccc2[o+]1
MCULE-6091105789	0.64	C=C(CCCCCC(=O)O)C
MolPort-000-668-418	0.64	COc1ccc(cc1)C(=O)Oc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)cc1
MCULE-1403801057	0.64	C(CCCCCC(=O)O)CCCCCCC=C
MolPort-001-904-004	0.64	Cc1ccc2oc(cc(=O)c2c1)-c1ccc(cc1)C(C)(C)C
MCULE-7226741017	0.64	C12(C3C=CC(C45C=CC34CC=CC5)C1([H])C(=O)OC2=O)[H]
MolPort-035-791-694	0.64	Cc1ccc2oc(-c3ccc(OCc4ccccc4)cc3)c(O)c(=O)c2c1
MCULE-4282189276	0.64	C1(O)CC2(C)C3CC(O)C4(C)C(C(CCC(O)C(O)(C)C)CO)CCC4(C)C=3CCC2C(C)(C)C1O
MolPort-000-649-917	0.64	CCOC(=O)C(CC)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-7005445792	0.64	C1CC2(C)C(C(C(=O)O)(C)C1)CC=C1C2CC(OC(C)=O)C(C)(C=C)C1
MolPort-001-789-190	0.64	CN(C)c1ccc(cc1)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
MCULE-8227436556	0.64	C1(=O)CCCC=CCCCCCCCCCC1
MolPort-003-803-040	0.64	O=Cc1cccc(c1)-c1cc(=O)c2ccccc2o1
MCULE-5461214891	0.64	[C@]12([H])C(=O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)C
MolPort-000-676-335	0.64	COc1ccc2oc(cc(=O)c2c1)-c1ccco1
MCULE-2581880996	0.64	C(C)(C)(O)C(O)CC/C(/C)=C/CCC(C)(O)C=C
MolPort-000-450-861	0.64	COc1ccccc1-c1cc(=O)c2cc(C)ccc2o1
MCULE-5421418726	0.64	C1CC2CCCC=C2C(C)(C)C1=O
MolPort-000-676-299	0.64	COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(OC(=O)c3ccc(cc3)C(C)(C)C)ccc2o1
MCULE-2603538836	0.64	C12C(C(=O)OC1=O)C1C=CC2C23CCCCC12C=C3
MolPort-003-106-480	0.64	COc1ccc(cc1)-c1cc(=O)c2cc(NC(C)=O)ccc2o1
MCULE-6079251175	0.64	C1CC2(C(O)CC(CC2C(C1)(C)O)C(C(=O)O)=C)C
MolPort-000-584-412	0.64	CCOc1c(oc2ccccc2c1=O)-c1ccc(OC)c(OC)c1
MCULE-1661135480	0.64	C1C[C@]2(C)[C@@]3(O)CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC(=O)[C@@]2(O)C[C@H]1O
MolPort-000-668-436	0.64	COc1ccc(cc1)-c1cc(=O)c2cc(OCc3ccc(Br)cc3)ccc2o1
MCULE-7895815151	0.64	O=C1C=CC(O)C2CC=CC(C21)C(O)=O
MolPort-002-510-918	0.64	Cc1ccc2oc(-c3ccc4OCCOc4c3)c(O)c(=O)c2c1
MCULE-4758818217	0.64	O=C1C=CC(C2C(C=CCC21)C(O)=O)=O
MolPort-023-298-966	0.64	CC(C)c1cc(=O)c2c(O)cc(O)cc2o1
MCULE-8722569228	0.64	C1CC2(C)C(CO)C(C)=CCC2C(CO)(C)C1
MolPort-000-674-954	0.64	Cc1cc(C)c2oc(cc(=O)c2c1)-c1cccc(Br)c1
MCULE-1531690228	0.64	C1(COC(=O)C)C(C(=O)O)CC(C)=CC1
MolPort-000-450-856	0.64	Clc1ccc(cc1)-c1cc(=O)c2cc(Cl)ccc2o1
MCULE-6288478354	0.64	C1C[C@@]2(C)CC/C(=C(\C)/C)/C[C@]2([H])[C@@](C)(O)C1
MolPort-008-825-740	0.64	CCc1ccc2oc(-c3ccc(OC)cc3)c(O)c(=O)c2c1
MCULE-9592592086	0.64	C(=O)(O)C(C)C/C=C/CC(C)C(=O)O
MolPort-000-668-407	0.64	CCCC(=O)Oc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)cc1
MCULE-9111462538	0.64	O=C1C(C)(C)C2=CCCCC2(C)CC1
MolPort-003-665-806	0.64	COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(=O)c4c(O)cc(O)cc4o3)c2o1
MCULE-3979294448	0.64	[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MolPort-000-695-893	0.64	Cc1ccc2oc(-c3ccc(cc3)C(O)=O)c(O)c(=O)c2c1
MCULE-3092137801	0.64	C(/C=C(\C)/CC/C=C(\C)/CCC(O)C(O)(C)C)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C
MolPort-039-337-160	0.64	Cc1cc(=O)c2c(O)c(C)c(O)c(C)c2o1
MCULE-4479203479	0.64	[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MolPort-002-244-077	0.64	COc1ccc(cc1C)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
MCULE-6967238597	0.64	C12C=CCC(C1(C(OC)=O)[H])C=C2
MolPort-002-244-046	0.64	COc1cc(ccc1C)-c1c2cc(O)c(O)cc2oc2cc(=O)c(O)cc12
MCULE-7015396651	0.64	C12C(=O)OC(=O)C1C1CCCC2C=C1
MolPort-000-676-260	0.64	CCCCOc1ccc2oc(cc(=O)c2c1)-c1ccccc1
MCULE-7899364914	0.64	[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
MolPort-046-766-137	0.64	Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OS(O)(=O)=O)c2=O
MCULE-6074226479	0.64	C1=CC2C3C4CCCCC=4C3C1C1C(=O)OC(=O)C12
MolPort-000-648-123	0.64	Oc1c(oc2ccccc2c1=O)-c1ccc(F)cc1
MCULE-1501068987	0.64	C1(C(CC(O)C1O)/C=C/C=C/CCC)C(=O)O
MolPort-018-587-192	0.64	Oc1c(oc2ccc(F)cc2c1=O)-c1ccccc1
MCULE-5658801482	0.64	C1=CC2CC(=O)C3C(=O)CC1C23
MolPort-000-695-722	0.64	Oc1c(oc2ccccc2c1=O)-c1ccc(Cl)cc1
MCULE-3107036474	0.64	C1(O)C2C(O)CC3C2C(C=C3)C1
MolPort-001-955-792	0.64	COc1ccc2oc(cc(=O)c2c1)-c1cccc(F)c1
MCULE-3146262991	0.64	C1=CC2C3C=C(C)C3C1C1C(=O)OC(=O)C12
MolPort-002-559-053	0.64	Clc1ccc2oc(cc(=O)c2c1)-c1cccc(Br)c1
MCULE-2460476091	0.64	C1C[C@@]([H])(/C(/C)=C/C(=O)CC(C)C)CC=C1C(=O)O
MolPort-000-671-065	0.64	COc1cc(cc(OC)c1OC)C(=O)Oc1ccc2oc(cc(=O)c2c1)-c1cc(OC)c(OC)c(OC)c1
MCULE-9714012387	0.64	C(CCCCCCC(=O)O)C(=O)CCCCCCCCC=C
MolPort-000-676-314	0.64	COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(OCc3ccc(Cl)cc3Cl)ccc2o1
MCULE-6132152847	0.64	[C@H]1(O)C[C@]2(C)C3CC[C@]4(C)C([C@@](O)([C@H](O)C[C@H](C)C(C)C)C)CC[C@@]4(O)C3=CC(=O)C2C[C@H]1O
MolPort-000-668-444	0.64	COc1ccc(cc1)-c1cc(=O)c2cc(OCC(N)=O)ccc2o1
MCULE-2363731744	0.64	C1(C)(C(CCC2(C)C1CC(=O)C=C2C)C)CC/C(/C)=C/C(O)=O
MolPort-001-808-963	0.64	Oc1ccc2c(-c3ccccc3)c3ccc(=O)cc3oc2c1
MCULE-3188056951	0.64	C1(=O)CC2C(C)(CCC(C2(C)CC/C(/C)=C\C(=O)O)C)C(C)=C1
MolPort-028-913-030	0.64	COc1ccc2c(oc(cc2=O)-c2ccc(F)cc2)c1OC
MCULE-4729152230	0.64	C12CCC(C(C)CCCC(C)C)C1(C)CCC1=C3CCC(O)CC3(C(O)CC21)C
MolPort-006-069-278	0.64	COc1ccc(cc1-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
MolPort-002-515-732	0.64	COc1ccc(cc1OC(C)=O)-c1oc2cc(OC)c(OC(C)=O)c(OC)c2c(=O)c1OC
MolPort-023-298-966	0.64	CC(C)c1cc(=O)c2c(O)cc(O)cc2o1
MolPort-028-913-030	0.64	COc1ccc2c(oc(cc2=O)-c2ccc(F)cc2)c1OC
MolPort-046-766-137	0.64	Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(OS(O)(=O)=O)c2=O
MolPort-039-337-160	0.64	Cc1cc(=O)c2c(O)c(C)c(O)c(C)c2o1
MolPort-044-727-295	0.64	COc1cc(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1-c1cc(ccc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
MCULE-9819330201	0.63	[C@@]12([H])CC[C@H]([C@H](C)CCC[C@@H](C)CO)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-7515900360	0.63	O=C1CC[C@@H]2[C@]1(C)CC[C@@H]1C3CCC(CC=3C[C@@H](C)[C@@H]21)(OC)OC
MolPort-023-282-651	0.63	COc1cc(ccc1O)-c1oc2c(Br)cc(Br)cc2c(=O)c1O
MCULE-4359391178	0.63	C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1([H])CC=CCC21C(C)=O
MolPort-003-359-111	0.63	Cc1ccccc1-c1cc(=O)c2cc(N)ccc2o1
MCULE-3300513366	0.63	C1(=C)[C@@H]2C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(O)=O)[C@@H]3CC2)C1
MolPort-000-676-301	0.63	COc1ccccc1C(=O)Oc1ccc2oc(cc(=O)c2c1)-c1cc(OC)c(OC)c(OC)c1
MCULE-1089286417	0.63	C(/CCCCCCCC(OC)=O)=C/C/C=C\CCCCC
MolPort-000-676-291	0.63	CCOc1ccc2oc(cc(=O)c2c1)-c1ccc(Cl)cc1
MCULE-1585616264	0.63	C1[C@@H](O)[C@]2(C)CC[C@]([H])(/C=C(/C)\C)[C@@]2([H])[C@](O)(C)C1
MolPort-028-745-716	0.63	Oc1ccc(cc1)-c1cc2ccccc2o1
MCULE-2640054094	0.63	O=C1CC(O)C(C)=C1CC=C
MolPort-000-668-430	0.63	COc1ccc(cc1)-c1cc(=O)c2cc(OCc3ccc(Cl)cc3)ccc2o1
MCULE-9666470335	0.63	O[C@@]1(CC=C)CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
MolPort-000-656-553	0.63	Oc1cc(OCc2c(F)c(F)c(F)c(F)c2F)cc2oc(cc(=O)c12)-c1ccccc1
MCULE-1048579708	0.63	C12(C)CCCC(C)(C)C1=CC(=O)CC2
MolPort-002-674-671	0.63	Oc1cc(OCC(=O)NC2CC2)cc2oc(cc(=O)c12)-c1ccccc1
MCULE-8599123114	0.63	C12(C)CCCCC1=C(C)C(=O)CC2
MolPort-000-668-437	0.63	COc1ccc(cc1)-c1cc(=O)c2cc(OCc3ccc(F)cc3)ccc2o1
MCULE-9358636585	0.63	C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
MolPort-035-683-146	0.63	COc1c(oc2cc(OC(C)=O)cc(OC(C)=O)c2c1=O)-c1ccc(OC(C)=O)c(OC(C)=O)c1
MCULE-1342617339	0.63	C1CC2C3CCCCC3=CC(=O)C2CC1
MolPort-035-685-002	0.63	O=c1ccoc(c1)-c1ccccc1
MCULE-1607221597	0.63	C12C3C(=O)OC(=O)C3C(C31CC3)C=C2
MolPort-046-763-607	0.63	COc1ccc2c(oc(cc2=O)-c2ccc(cc2)N(C)C)c1OC
MCULE-8698326526	0.63	C(CCCCCCCCCC=CCC=CCCCCC)(=O)OC
MolPort-000-856-066	0.63	CN(C)C(=O)Oc1cc(OCc2ccccc2)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-2366326470	0.63	C12C3C4C(C5C1C(C(O)=O)=C(C(O)=O)C35)C2C=C4
MolPort-000-668-453	0.63	COc1ccc(cc1)-c1cc(=O)c2cc(OCC(=O)OC(C)C)ccc2o1
MCULE-4587768251	0.63	[H]C12CC(O)CCC1(C)C1(C)C(O)CC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2
MolPort-002-536-395	0.63	COc1cc(O)c(CN(C)C)c2oc(cc(=O)c12)-c1ccccc1
MCULE-3753766880	0.63	C(CCCCCCCC=CCC=CCC=CCC)(OC)=O
MolPort-000-424-042	0.63	CCN(CC)Cc1c(O)c(CN(CC)CC)c2oc(cc(=O)c2c1O)-c1ccccc1
MCULE-1777552821	0.63	C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4C[C@@H](C(=O)OC(C)C)[C@@]3([H])[C@]1([H])CC[C@]12CCC(=O)O1)C
MolPort-020-005-958	0.63	COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1
MCULE-9234552398	0.63	C1/C(/C(CC[C@@H]1O)=C)=C/C=C1\CCC[C@]2(C)[C@@H]([C@@H](CC(=O)O)C)CC[C@]2\1[H]
MolPort-000-850-289	0.63	COc1cc([O-])c(C[NH+](C)C)c2oc(cc(=O)c12)-c1ccccc1
MCULE-1875219399	0.63	C1/C(/C(CC[C@@H]1O)=C)=C/C=C1/[C@]2([H])CC[C@H]([C@@H](C(=O)O)C)[C@@]2(C)CCC/1
MolPort-019-937-105	0.63	COc1cccc(O)c1-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1
MCULE-2409753351	0.63	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CC[C@@H](CC)C(C)C)[H]
MolPort-000-696-525	0.63	CC[NH+](CC)Cc1c([O-])c(C[NH+](CC)CC)c2oc(cc(=O)c2c1[O-])-c1ccccc1
MCULE-1925425954	0.63	C12CCCCC1CCC(=O)C=2
MolPort-035-705-985	0.63	CC(C)=CCc1cc(ccc1O)-c1oc2cc(O)c(CC=C(C)C)c(O)c2c(=O)c1O
MCULE-6413140986	0.63	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
MolPort-035-705-956	0.63	COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3O)-c3cc(=O)c4c(O)cc(OC)cc4o3)c2o1
MCULE-2084098314	0.63	O=C(/C=C/CCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](C[C@H](CCCC)C)O)O
MolPort-000-695-734	0.63	O=c1cc(oc2ccccc12)-c1ccco1
MCULE-5784478301	0.63	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCCC(C)C
MolPort-000-450-868	0.63	Cc1ccc(cc1)-c1cc(=O)c2cc(F)ccc2o1
MCULE-9549317752	0.63	C12CC(C)(C)CC31C(C)CCC3C(C(O)=O)=C2
MolPort-000-695-728	0.63	Fc1ccccc1-c1cc(=O)c2ccccc2o1
MCULE-8166977907	0.63	O=C(OCC1CC=CCC1)CC1CCCC1
MolPort-039-337-159	0.63	COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(=O)c4c(O)cc(OC)cc4o3)c2o1
MCULE-9379846923	0.63	C[C@H](CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)O)=CC3)[H])([H])CC1)C)CO
MolPort-000-713-631	0.63	COc1ccc(cc1OC)-c1cc(OC)c2c(C)oc(C)c2c(=O)c1
MCULE-7781678672	0.63	C12CCCCC1C(CC(=O)C=2)C(C)C
MolPort-046-687-440	0.63	COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(=O)c4c(O)cc(O)cc4o3)c2o1
MCULE-4640003531	0.63	C1C[C@@]2(C)C3C4(CCC2[C@@](C(O)=O)(C)C1)CC(=C)C(CC3)C4
MolPort-009-754-970	0.63	COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3OC)-c3cc(=O)c4c(O)cc(OC)cc4o3)c2o1
MCULE-1416125605	0.63	CC(C1(C(O)=O)CC=CC1)C=C
MolPort-000-678-409	0.63	COc1cc(cc(OC)c1OC)-c1cc(=O)c2c(CN(C)Cc3ccccc3)c(O)ccc2o1
MCULE-2003683212	0.63	O=C(C[C@]1(C[C@]2([H])[C@]1(C=C(C2)CC)[H])CN)O
MolPort-023-279-015	0.63	COc1c(OC(C)=O)cc(OC(C)=O)c2c1oc(cc2=O)-c1ccccc1
MCULE-2873851707	0.63	OC(C1(CC=CC1)CC1OCCCC1)=O
MolPort-044-649-361	0.63	COc1ccc2oc(-c3ccccc3)c(Br)c(=O)c2c1
MCULE-9513148820	0.63	O=C1C=C(CCC2OCCCC2)CCC1
MolPort-000-450-872	0.63	COc1ccccc1-c1cc(=O)c2cc(Br)ccc2o1
MCULE-2935787590	0.63	O=C1C=CC2(C)C(C1)(CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H]
MolPort-000-671-074	0.63	CN(C)c1ccc(cc1)-c1cc(=O)c2c(C)cc(C)cc2o1
MCULE-1782460700	0.63	CC(C1(C2(C)C(C3C(CC2)C2(C)C(=CC(CC2)=O)C=C3)CC1)O)=O
MolPort-035-705-980	0.63	COc1cc(ccc1OC(C)=O)-c1oc2cc(OC(C)=O)c(OC)c(OC(C)=O)c2c(=O)c1OC
MCULE-5385888311	0.63	CC1OC(CC2(C(O)=O)CC=CC2)CC1
MolPort-035-705-979	0.63	COc1ccc(cc1OC)-c1oc2cc(OC)c(OC)c(OC(C)=O)c2c(=O)c1OC
MCULE-8464956672	0.63	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OCC)=O
MolPort-000-668-420	0.63	COc1ccc(cc1)-c1cc(=O)c2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)ccc2o1
MCULE-1538829806	0.63	[C@]12(O)CC[C@]3(C(CC=C3C#N)C1CC=C1CC(=O)CC[C@]21C)C
MolPort-000-668-415	0.63	COc1ccc(cc1)-c1cc(=O)c2cc(OC(=O)c3cccc(C)c3)ccc2o1
MCULE-4339982355	0.63	CC[C@@]12[C@](O)(C#C)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1C(=C)C2)CCC(=O)C=3
MolPort-000-450-859	0.63	Cc1ccc2oc(cc(=O)c2c1)-c1ccc(Cl)cc1
MCULE-8358015855	0.63	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CCCC(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
MolPort-000-450-877	0.63	Fc1ccc(cc1)-c1cc(=O)c2cc(F)ccc2o1
MCULE-1713939889	0.63	C12CC(O)(C)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
MolPort-001-955-787	0.63	Cc1ccc2c(c1)oc(cc2=O)-c1ccc(cc1)C(C)(C)C
MCULE-1537420527	0.63	[C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O
MolPort-000-843-476	0.63	COC(=O)CNC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-5456178986	0.63	OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
MolPort-001-902-689	0.63	Oc1cc(OCc2ccc(cc2)[N+]([O-])=O)cc2oc(cc(=O)c12)-c1ccccc1
MCULE-9037199231	0.63	OC(C1(CC=CC1)CC1OCCC1)=O
MolPort-001-529-372	0.63	COc1ccc(OC)c(c1)-c1oc2ccccc2c(=O)c1O
MCULE-6818941701	0.63	C1(O)CC2(C)CCC(C(=C)C(=O)O)CC2C(=C)C1
MolPort-003-849-421	0.63	Oc1ccc2oc(cc(=O)c2c1)-c1ccc(cc1)[N+]([O-])=O
MCULE-9824682578	0.63	[C@@]12(C)C[C@H]([C@]([H])([C@@](C)(O)C(CCC(C)(C)OC(C)=O)=O)[C@@]1(C)CC(=O)[C@@]1(C)[C@]3(C(C(C)(C)[C@@H]([C@@H](O)C3)O)=CC[C@]12[H])[H])O
MolPort-000-670-207	0.63	O=C(Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1)c1ccccc1
MCULE-1130296851	0.63	[C@]12(C)CCC3[C@@]([H])(CC=C4CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CC[C@@H](CC)C(C)C
MolPort-000-592-556	0.63	[O-][Cl](=O)(=O)=O.CCOc1cc([o+]c2ccc(C)cc12)-c1ccc(OC)c(OC)c1
MCULE-6686022329	0.63	C1(CCCCCCC(=O)OC)=C[C@@H](O)CC1=O
MolPort-000-676-265	0.63	COC(=O)c1ccc(COc2ccc3oc(cc(=O)c3c2)-c2ccccc2)cc1
MCULE-4894937500	0.63	[H]C12C=CCCC1(C)C1CC(C3(C)C(C(C)CCC(OC)=O)CCC3C1CC2)OC(C)=O
MolPort-008-819-796	0.63	Cc1ccc2c(c1)oc(-c1ccc(cc1)C(O)=O)c(O)c2=O
MCULE-4176831119	0.63	C12(C)CCC(C(OC=O)C1(C)CCC=C2C)C
MolPort-000-676-269	0.63	CC(Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1)C(O)=O
MCULE-2524148130	0.63	C(CCCC(=O)OC)CCCCCC=CCC=CCC=CCC
MolPort-002-250-012	0.63	O=c1cc(oc2c3ccccc3ccc12)-c1ccco1
MCULE-1900386533	0.63	C1[C@]2([H])[C@@]3([H])C(=C)C[C@@]4(CC)[C@@]([H])(CC[C@]4(C#C)O)[C@]3([H])CCC2=CC(=O)C1
MolPort-000-701-244	0.63	COc1ccc(cc1)-c1cc2ccccc2c(=O)o1
MCULE-3896942700	0.63	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CCCC(C)CO)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
MolPort-002-904-350	0.63	O=c1cc(oc2ccccc12)-c1cc2ccccc2o1
MCULE-8824249409	0.63	C1=CC2C3C=C(C4CC4)C3C1C1C(=O)OC(=O)C12
MolPort-004-859-606	0.63	OC(=O)CNC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-8239765173	0.63	[C@]12(C)CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
MolPort-002-355-822	0.63	Clc1ccc2c(c1)oc(cc2=O)-c1ccccc1
MCULE-7546264090	0.63	O=C(C[C@]1(C[C@]2([H])[C@]1(C=C(C2)CC)[H])CN)O
MolPort-023-282-651	0.63	COc1cc(ccc1O)-c1oc2c(Br)cc(Br)cc2c(=O)c1O
MCULE-4046520863	0.63	[C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)CC(O)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
MolPort-035-705-979	0.63	COc1ccc(cc1OC)-c1oc2cc(OC)c(OC)c(OC(C)=O)c2c(=O)c1OC
MCULE-2182894320	0.63	CC(OC(CCC(C(O)(C1C2(C)CC(C3(C)C4CC(O)C(O)C(C)(C)C4=CCC3C2(C)CC1O)=O)C)=O)(C)C)=O
MolPort-000-695-877	0.63	Cc1ccc2oc(-c3ccc(Cl)cc3)c(O)c(=O)c2c1
MCULE-7040093693	0.63	C1CC2(C)C3C=C(C)C4(C)C(=O)C(O)(C)C(=O)C4(C(OC)=O)C3(C)CCC2C(C)(C)C1O
MolPort-046-687-440	0.63	COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(=O)c4c(O)cc(O)cc4o3)c2o1
MCULE-6265228650	0.63	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(CC)C(C)C
MolPort-020-005-958	0.63	COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1
MCULE-6114329924	0.63	[C@H]1(O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
MolPort-039-337-159	0.63	COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3OC)-c3cc(=O)c4c(O)cc(OC)cc4o3)c2o1
MCULE-9439225491	0.63	CC1C(=O)C(C)=C(CC[C@](O)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C(=O)C=1C
MolPort-035-685-002	0.63	O=c1ccoc(c1)-c1ccccc1
MCULE-7325515313	0.63	C1=CC2(C)C3CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1=O
MolPort-028-745-716	0.63	Oc1ccc(cc1)-c1cc2ccccc2o1
MCULE-7813982811	0.63	C1(CC2CC1C=C2)C(OCCOC(C1CCC=CC1)=O)=O
MolPort-023-279-015	0.63	COc1c(OC(C)=O)cc(OC(C)=O)c2c1oc(cc2=O)-c1ccccc1
MCULE-3804311142	0.63	C1C2CC(CC(=O)C)C(C2)C=1
MolPort-046-763-607	0.63	COc1ccc2c(oc(cc2=O)-c2ccc(cc2)N(C)C)c1OC
MCULE-3486771028	0.63	C(CC(=O)OCC)CCCCCC=CCCCCCCCC
MolPort-035-683-146	0.63	COc1c(oc2cc(OC(C)=O)cc(OC(C)=O)c2c1=O)-c1ccc(OC(C)=O)c(OC(C)=O)c1
MCULE-1844358842	0.63	[C@H]1(O)C[C@@]2(C3CC[C@]4([C@](CCC4[C@](O)(C)[C@H](O)C[C@](O)(C)C(C)C)(O)C3=CC(C2C[C@H]1O)=O)C)C
MolPort-019-937-105	0.63	COc1cccc(O)c1-c1cc(=O)c2c(O)c(OC)c(OC)c(OC)c2o1
MCULE-2950001631	0.63	C1CCCCCCC(C(O)=O)=C(C(O)=O)CC1
MolPort-035-705-985	0.63	CC(C)=CCc1cc(ccc1O)-c1oc2cc(O)c(CC=C(C)C)c(O)c2c(=O)c1O
MCULE-9199968322	0.63	C(CCC(=O)OCC)CCCCCCCCC=CCCCCCCCC
MolPort-035-705-956	0.63	COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3cc(ccc3O)-c3cc(=O)c4c(O)cc(OC)cc4o3)c2o1
MCULE-7624509086	0.63	OC(C1(CC=CC1)CC=C)=O
MolPort-023-279-002	0.63	CC(=O)Oc1ccc(cc1)-c1oc2cc(OC(C)=O)cc(O)c2c(=O)c1OC(C)=O
MCULE-4986901322	0.63	C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
MolPort-044-649-361	0.63	COc1ccc2oc(-c3ccccc3)c(Br)c(=O)c2c1
MCULE-3174021569	0.63	OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
MolPort-035-705-980	0.63	COc1cc(ccc1OC(C)=O)-c1oc2cc(OC(C)=O)c(OC)c(OC(C)=O)c2c(=O)c1OC
MCULE-3433785012	0.63	CC(C)CC[C@@](O)([C@@](C)([C@]1(CC[C@@]2([C@@]1(CC[C@]1([C@]2(CC=C2[C@@]1(CC[C@](O)(C2)[H])C)[H])[H])C)[H])[H])[H])[H]
MolPort-000-668-426	0.63	CCCCCCOc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)cc1
MCULE-3926742898	0.63	O=C1C=CC2(CCCCC2)CC1
MolPort-005-913-369	0.63	CCCNC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-5010058438	0.63	[H]C12CCCC=C1CCC1C3CCC(CC=C)(O)C3(C)CCC21
MolPort-000-695-878	0.63	Cc1ccc2oc(-c3ccc(F)cc3)c(O)c(=O)c2c1
MCULE-8305742317	0.63	CCC12C(C#C)(O)CCC1C1CCC3C(C1C(=C)C2)CCC(=O)C=3
MolPort-002-512-810	0.63	COc1cc(ccc1O)-c1cc(OC)c2c(C)oc(C)c2c(=O)c1
MCULE-8457539977	0.63	C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C=3CCC2(C1)[H])OC(C)=O)=O
MolPort-000-676-267	0.63	COC(=O)COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
MCULE-8026671401	0.63	CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CC(C[C@H](C(=O)O)C)=O)C)C[C@@H]3O)(C)[C@H](O)C(=O)C=12)O)C
MolPort-023-279-002	0.63	CC(=O)Oc1ccc(cc1)-c1oc2cc(OC(C)=O)cc(O)c2c(=O)c1OC(C)=O
MCULE-7911152718	0.63	O=C1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1(C)C
MolPort-000-606-748	0.63	COc1ccc(cc1)-c1oc2ccc(Cl)cc2c(=O)c1O
MCULE-9644532124	0.63	[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC(O)C(C)C)CC3)CC=2
MolPort-005-916-281	0.63	CC(C)CNC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-1576185930	0.63	O[C@@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21
MolPort-000-854-419	0.63	CC(CO)(CO)NC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-7110535304	0.63	C(O)(C)(CC(O)CC(O)(C)C)C1C2(C(C3C(C4(C(CC(C(C4)O)O)C(=O)C=3)C)CC2)(O)CC1)C
MolPort-000-674-965	0.63	CCOc1ccc(cc1OC)-c1oc2c(C)cc(C)cc2c(=O)c1O
MCULE-8489443115	0.63	C12CC1(C)C(=O)CC(C)(C)C=C2
MolPort-000-677-253	0.63	COc1ccc(cc1OC)C(=O)Oc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)c(OC)c1
MCULE-4399438587	0.63	CCCCCC=CCC=CCCCCCCCC(=O)OC
MolPort-002-288-523	0.63	Cc1ccc(cc1)C(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-9535038485	0.63	C(CC(=O)OCC)CCCCC/C=C\CCCCCCCC
MCULE-6604044571	0.63	C/C(/C)=C/CC1(C(O)=O)CC=CC1
MCULE-2672638007	0.63	C(O)(C)(C)[C@@H]1CC[C@H](C)C2CC[C@H](C)C=2C1
MCULE-3588728893	0.63	C1(C)C(=O)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C=1C
MCULE-6069203147	0.63	C1C(C(C)CCCC(C)C)C2(C)CCC3C(CC=C4C3(C)CCC(O)C4(C)C)C2C1
MCULE-5631441050	0.63	C12CCCCC1(C)CCC(=O)C=2
MCULE-1910237865	0.63	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CC[C@H](CC)C(C)C
MCULE-8944178238	0.63	CCCCCCCCC(C(/C=C\C(O)CCCCC(O)=O)O)O
MCULE-1780261202	0.63	O=C1CCC2(C)C(C1(C)C)=CCC1C2CCC2(C)C(C(C)CCCC(C)C)CCC21
MCULE-1216746738	0.63	[C@@]12([H])CC[C@H]([C@H](C)CCCC(O)(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-8554726611	0.63	C1CC2(C(CC=1)(C(OC)=O)CCCC2)C(N)=O
MCULE-1579293561	0.63	CC/C=C\C/C=C\C(O)C(O)C(O)CCCCCCCC(=O)O
MCULE-2475543698	0.63	C1(=O)C=CC2(C)C3([H])C(O)CC4(C)C(C(CO)=O)([H])CCC4([H])C3([H])CCC2=C1
MCULE-1531956184	0.63	C12C[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2
MCULE-3918504016	0.63	[C@@]12([H])CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
MCULE-5531778494	0.63	[C@@]12(CCC(=O)O1)CCC1C3[C@H](C(=O)OC4CCCC4)CC4=CC(CCC4(C)C3CCC21C)=O
MCULE-8423145149	0.63	[C@@]12([H])CC[C@H]([C@H](C)CCCC(O)(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-9968239395	0.63	CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC
MCULE-4706828771	0.63	C12CCC(CC=1C[C@@H](C)[C@]1([H])[C@]2([H])CC[C@]2(C)C(CC[C@@]12[H])=O)(OC)OC
MCULE-9928356247	0.63	C12C3C4C5C(C(C(=O)C1=O)C4CC3)C=CC25
MCULE-7442709707	0.63	C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1
MCULE-7049960827	0.63	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@]2([H])[C@]([H])(C)CC[C@@]([H])(CC)C(C)C)[H]
MCULE-5523061914	0.63	C1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)[C@H](O)CCC(C)C)CC3)CC=2
MolPort-005-974-930	0.62	CC(NC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1)C(O)=O
MolPort-019-937-401	0.62	COc1ccc(cc1)-c1oc2cc3OCOc3c(OC)c2c(=O)c1OC
MolPort-046-686-417	0.62	COc1ccc(c(C)c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12
MolPort-000-668-435	0.62	COc1ccc(cc1)-c1cc(=O)c2cc(OCc3ccccc3F)ccc2o1
MolPort-003-359-114	0.62	COc1ccccc1-c1cc(=O)c2cc(N)ccc2o1
MolPort-004-858-936	0.62	C[C@H](NC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1)C(O)=O
MolPort-008-819-797	0.62	OC(=O)c1ccc(cc1)-c1oc2ccc(Br)cc2c(=O)c1O
MolPort-001-890-265	0.62	CCOc1cc(cc(=O)c2c(C)oc(C)c12)-c1ccc(O)c(O)c1
MolPort-000-668-429	0.62	COc1ccc(cc1)-c1cc(=O)c2cc(OCc3cccc(Cl)c3)ccc2o1
MolPort-002-367-353	0.62	CC(Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1)C(=O)c1ccccc1
MolPort-006-657-174	0.62	CCOc1cccc(c1)-c1c(oc2ccccc2c1=O)-c1ccccc1
MolPort-000-450-853	0.62	Fc1ccc2oc(cc(=O)c2c1)-c1ccccc1F
MolPort-002-288-520	0.62	Cc1ccc(cc1)-c1oc2cc(Cl)ccc2c(=O)c1O
MolPort-002-237-823	0.62	COc1ccc(cc1)-c1c(C)oc2cc(O)cc(O)c2c1=O
MolPort-004-956-405	0.62	Cc1ccc2c(c1)oc(-c1ccc(F)cc1)c(O)c2=O
MolPort-000-676-263	0.62	NC(=O)COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
MCULE-6860357182	0.62	C(CC)=CCCCCCCCCCCO
MolPort-000-450-881	0.62	COc1ccc2oc(cc(=O)c2c1)-c1ccccc1Cl
MCULE-9998858745	0.62	C1(/C=C/C=C/CCC)C(CO)C(C(=O)O)(O)C(O)C1
MolPort-039-338-767	0.62	CC(C)=CCC\C(C)=C\Cc1cc(c(O)cc1O)-c1cc(=O)c2c(O)cc(O)cc2o1
MCULE-2876144776	0.62	C12(CCC(C(C)(C)C1=C)C2)C(O)=O
MolPort-001-661-504	0.62	Clc1c(oc2ccccc2c1=O)-c1ccccc1
MCULE-4914569425	0.62	C1CC(C)(CO)C(C)(CO)CC=1
MolPort-002-510-059	0.62	Nc1c(oc2ccccc2c1=O)-c1ccccc1
MCULE-7652192547	0.62	C(=O)(O)CC(CC(=O)O)/C=C/C
MolPort-003-582-556	0.62	CC(C)c1ccc(cc1)-c1cc(=O)c2cc(N)ccc2o1
MCULE-4504889503	0.62	[C@]12(C)CC[C@H](O)C(C)(C)[C@]1([H])CC=C(C=O)[C@@H]2C#N
MolPort-003-582-562	0.62	CC(C)(C)c1ccc(cc1)-c1cc(=O)c2cc(N)ccc2o1
MCULE-1243509764	0.62	C/C(/C)=C/CCC1C(=O)CCCC1
MolPort-002-809-114	0.62	CC(C)(C)c1ccc(cc1)-c1cc(=O)c2cc(Cl)ccc2o1
MCULE-7110389607	0.62	O=C1C=CC2(CCOCC2)CC1
MolPort-000-668-428	0.62	COc1ccc(cc1)-c1cc(=O)c2cc(OCc3ccccc3Cl)ccc2o1
MCULE-5459783064	0.62	C(CCCCCCCO)=CCCCCCCCO
MolPort-000-695-875	0.62	Cc1ccc2oc(c(O)c(=O)c2c1)-c1ccccc1F
MCULE-7851674073	0.62	C1(=C)C2CCCC1CC(C(OC)=O)C2
MolPort-044-181-414	0.62	COc1ccc(cc1N)-c1oc2ccccc2c(=O)c1N
MCULE-4202565953	0.62	C1CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C(O)=O)(C)C1)C
MolPort-000-676-268	0.62	CCOC(=O)COc1ccc2oc(cc(=O)c2c1)-c1ccccc1
MCULE-7776107404	0.62	C(CO)CCCCCCC=CCCCCCCCC
MolPort-001-955-791	0.62	Cc1ccc2c(c1)oc(cc2=O)-c1ccc(F)cc1
MCULE-4519288897	0.62	OC1(C2CC2)C2C=CC(C2)C1
MolPort-028-855-235	0.62	COC(=O)CC(C(C)C)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
MCULE-4738347913	0.62	C1(C(C)(C)C)=CC2(C(C)(C)C)C(=O)C(=O)C1C1C=CC12
MolPort-001-949-959	0.62	CCCOc1ccc(cc1)-c1cc(O)c2c(C)oc(C)c2c(=O)c1
MCULE-5216294937	0.62	O=C1C(C2CCCCC=2)CCCC1
MolPort-028-748-880	0.62	COc1cc(ccc1[N+]([O-])=O)-c1cc(=O)c2ccccc2o1
MCULE-7580027619	0.62	C12C(C=C1)C1C(=O)OC(=O)C21
MolPort-023-298-917	0.62	CC(=O)Oc1ccc(cc1)-c1oc2cc(OC(C)=O)cc(OC(C)=O)c2c(=O)c1OC(C)=O
MCULE-3397065732	0.62	[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(C)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
MolPort-005-913-927	0.62	CN1CCN(CC1)C(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-1081447415	0.62	O=C1C=C2CC(OC)CCC2(C)C2CCC3(C)C(C(C)CCCC(C)C)CCC3C21
MolPort-001-955-790	0.62	Cc1ccc2c(c1)oc(cc2=O)-c1ccc(Cl)cc1
MCULE-1567541702	0.62	C1C=CCC(CO)(CO)C1C
MolPort-008-819-807	0.62	COc1ccc2oc(-c3ccc(cc3)C(O)=O)c(O)c(=O)c2c1
MCULE-1732403644	0.62	OC1(C2C=CC(C2)C1)CCC1CC1
MolPort-002-674-438	0.62	CCN1CCN(CC1)C(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-2740918613	0.62	CC1([C@@]2([H])[C@](C3C(=O)C[C@@]4(C)[C@@](C)([C@H](C[C@@H]4[C@@H](CC(=O)C[C@H](C(=O)O)C)C)O)C=3[C@H](C2)O)(C)CCC1=O)C
MolPort-002-043-388	0.62	Cc1cccc2oc(cc(=O)c12)-c1ccc(Cl)cc1
MCULE-6905450558	0.62	O1C(=O)CC(CC=CCCCCCC)C1=O
MolPort-000-648-143	0.62	Clc1ccccc1-c1cc(=O)c2ccccc2o1
MCULE-3634019791	0.62	CC1CC(CC/C=C(\C)/C)C(O)CC1
MolPort-000-450-852	0.62	Cc1ccc2oc(cc(=O)c2c1)-c1ccccc1F
MCULE-5765051698	0.62	C(CCCC=CC(O)=O)CCCCC(O)=O
MolPort-000-676-300	0.62	COc1cc(cc(OC)c1OC)-c1cc(=O)c2cc(OC(=O)c3ccccc3Cl)ccc2o1
MCULE-5549232456	0.62	[C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(=O)COC(C)=O
MolPort-002-536-398	0.62	OCCN1CCN(CC1)C(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-1321155051	0.62	CCCCCCCC/C=C\CCCCCCCCO
MolPort-005-912-869	0.62	CCCCNC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-7116827600	0.62	O=CC1(CCC1)CC1CC=CCC1
MolPort-005-911-973	0.62	CCCCN(C)C(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-3524678284	0.62	C1C[C@@]2(CC[C@@H](C(C(=O)O)=C)CC2C([C@@H]1O)=C)C
MolPort-002-910-792	0.62	Clc1cc(Cl)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-6002311928	0.62	C[C@@H]([C@@H]1[C@]2(C)C(=C3[C@H](CC2)[C@]2(C)[C@H](C([C@@H](O)CC2)=C)CC3)CC1)CC[C@H](C(C)C)C
MolPort-000-656-568	0.62	CC1(C)CC(CCO1)C(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-6914354313	0.62	C1=CC2C=CC3C(C(O)=O)=CC1C23
MolPort-000-451-357	0.62	COc1ccc(cc1OC)-c1c(C)oc2cc(O)cc(O)c2c1=O
MCULE-2271099763	0.62	C12CC3C4C(C(O)=O)=C(C(=O)O)C3C1C24
MolPort-000-695-892	0.62	COc1ccc(cc1Br)-c1oc2ccc(C)cc2c(=O)c1O
MCULE-6290581989	0.62	CC(C1C2(C)CC(C3C4(C)CCC(C(C)(C)C4CC(O)C=3C2(C)C(O)C1)=O)=O)CC(CC(C(O)=O)C)=O
MolPort-000-450-851	0.62	Clc1ccc(cc1)-c1cc(=O)c2cc(Br)ccc2o1
MCULE-6478036230	0.62	C1CC2(COC(=O)C2([H])CC=1)C
MolPort-035-717-105	0.62	Oc1c(oc2ccc(Cl)cc2c1=O)-c1ccc2OCOc2c1
MCULE-6020017542	0.62	OC1(C2CCC2)C2C=CC(C2)C1
MolPort-002-511-868	0.62	Cc1oc(C)c2c1c(O)cc(cc2=O)-c1ccc2OCOc2c1
MCULE-8434520112	0.62	OC1(C2C=CC(C2)C1)CC1CC1
MolPort-002-510-692	0.62	Cc1cc2oc(-c3ccc4OCCOc4c3)c(O)c(=O)c2cc1C
MCULE-2662745028	0.62	C[C@@]12[C@H]3C(C=C4[C@@H]5C[C@@]6(C)C(=O)O[C@@H]([C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]1C(C)(C)[C@@H](O)CC2)C6)=O
MolPort-000-668-419	0.62	COc1ccc(cc1)-c1cc(=O)c2cc(OC(=O)c3ccc(OC)c(OC)c3)ccc2o1
MCULE-2525177975	0.62	C1=CC2C3C4C(C(CO)C13)C=CC4C2CO
MolPort-046-067-739	0.62	C[C@H](Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1)C(=O)c1ccccc1
MCULE-1916450603	0.62	C(CCCCCCCCO)=CCCCCCCCCO
MolPort-046-686-417	0.62	COc1ccc(c(C)c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12
MCULE-4602499943	0.62	C1C2C3C=CC3C(C(C(=O)O[Si](C)(C)C)C2C(=O)O[Si](C)(C)C)C=1
MolPort-001-955-785	0.62	Cc1ccccc1-c1cc(=O)c2cc(Cl)ccc2o1
MCULE-4079586755	0.62	C12CC(C3C(O)C(O)C13)C=C2
MolPort-023-212-051	0.62	Oc1cc2c(cc1CC=C)oc(cc2=O)-c1ccccc1
MCULE-2926764647	0.62	C(O)(=O)C(CC(C)C)CC=C
MolPort-027-807-140	0.62	CSc1ccc(cc1)-c1cc(=O)c2ccccc2o1
MCULE-1191180792	0.62	C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CC=C2C1)=O)=O
MolPort-002-904-264	0.62	Cc1cc2oc(cc(=O)c2cc1Cl)-c1ccccc1
MCULE-4878329713	0.62	O=CC1(CC1)CC1CC=CCC1
MolPort-023-298-917	0.62	CC(=O)Oc1ccc(cc1)-c1oc2cc(OC(C)=O)cc(OC(C)=O)c2c(=O)c1OC(C)=O
MCULE-6190050690	0.62	C1(C=O)C(O)(C=O)C[C@@]2([C@@](CCCC2)(C)C=1)[H]
MolPort-028-748-880	0.62	COc1cc(ccc1[N+]([O-])=O)-c1cc(=O)c2ccccc2o1
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MCULE-3758685184	0.61	O(C(C)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O
MCULE-4026127058	0.61	C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2=1)=O)[H]
MCULE-1910819843	0.61	COC1C(C(C2CCCCCCC=2)=O)C1
MCULE-7060204243	0.61	CC1C(CCC2CCCCC=2)C(=O)CO1
MCULE-1285320299	0.61	[C@@]12(C)CCC[C@@](C)(CO)C1CC[C@@]13C[C@](C=C1)(C)CCC32
MCULE-7384114075	0.61	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
MCULE-5241313012	0.61	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O
MCULE-2871959103	0.61	C[C@@]12CC[C@@]3([H])C([C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@]1([H])[C@@]([H])([C@](O)(C)CC/C=C(\C)/C)CC[C@@]21C)(C)C
MCULE-9367731136	0.61	CC1([C@@H](OC(=O)C)CC[C@@]2(C)[C@H]1CC=C1[C@@]3(C)[C@]([C@H]([C@@H](C3)O)[C@H](C(=O)O)CCC(C(C)C)=C)(C)CC=C12)C
MCULE-6519818800	0.61	[C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@@](CC3)(O)C(CO)=O)C[C@H](O)[C@]21[H])[H])C)=O
MCULE-4587868817	0.61	CC1(C(=O)CC[C@@]2(C)C1CC(C1[C@@]3(C)[C@]([C@@H]([C@@H](C[C@@H](/C=C(/C(=O)O)\C)O)C)CC3=O)(C)CC(=O)C=12)=O)C
MCULE-1800361961	0.61	CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](O)C(=O)C=12)O)C
MCULE-2944100707	0.61	CC1([C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](O)C(=O)C=12)O)C
MCULE-1660597451	0.61	CC(C1=C2C[C@@H]([C@@H]3[C@@](C)([C@H]2CC1)CC[C@@H]1[C@@]3(CCC(C1(C)C)=O)C)O)(C[C@@H]([C@@H]1C(C)(C)O1)O)C
MCULE-9868633193	0.61	C1CC2(C(O)CC(C(C(=O)O)=C)CC2C(C1)=C)C
MCULE-6646668513	0.61	C[C@@]12C[C@H](O)[C@@]3([H])C([C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@]1([H])[C@@]([H])([C@](O)(C)CC/C=C(\C)/C)CC[C@@]21C)(C)C
MCULE-1361042454	0.61	C[C@@]12C[C@H](O)[C@@]3([H])C([C@@H](O)CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@]1([H])[C@@]([H])([C@@](O)(C)CC/C=C(\C)/C)CC[C@@]21C)(C)C
MCULE-2012587344	0.61	C1=CC2C3C4C5C(C(=O)C(=O)C2C4C=C5)C13
MCULE-3339182305	0.61	C(=C)(C(O)=O)[C@]1(O)CC[C@@]2([C@]([H])(C(CCC2)=C)C1)C
MCULE-1938313770	0.61	O=C1C2C3CC(C4C3O4)C2C(C2C3CC(C=C3)C21)=O
MCULE-1608951387	0.61	C(=C/CC)/CC(/C=C/C(O)C(O)CCCCCCCC(=O)O)O
MCULE-4625091681	0.61	C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2
MCULE-8413416808	0.61	C/C(/C)=C/CCC1(C=CCCC1)O
MCULE-2246615794	0.61	C12C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C[C@@]4(CC[C@]3(C)[C@@]1(C)CCC=2[C@H](C)C[C@H](O)[C@@]1([H])C(C)(C)O1)[H]
MCULE-8519555544	0.61	C12(C)C(C)CC(C=C1CCC(C(C)=C)C2)=O
MCULE-6919539940	0.61	C12(C(=O)OC)CCC(C(=C)C)C1C1CCC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C1(CC2)C
MCULE-7835659960	0.61	C/C(/C)=C/CCC1(C2C(C2)CC1)O
MCULE-5590608344	0.61	[C@]12(C)CCC[C@@](C)(C(O)=O)[C@]1([H])CCC1=C[C@@](CC[C@]12[H])(C)C=C.N1CCCCC1
MCULE-4546155810	0.61	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](O)[C@]2(O)C#N
MCULE-3173207342	0.61	C(O[C@@H]1[C@]2(C)[C@H]([C@H]3[C@H](CC2)[C@]2(C)C(=CC(=O)CC2)CC3)CC1)(=O)C
MCULE-7939545317	0.61	O=C1C=C[C@@]2([C@]3(C(=O)C[C@@]4(C)[C@](C[C@@H]([C@@]4(C(=O)CO)O)C)([H])[C@]3([H])CCC2=C1)[H])C
MCULE-3344154059	0.61	O=C1CCC2(C3C(CC4(C)C(CCC4C3CCC2=C1)OC(C)=O)OC(C)=O)[H]
MCULE-7076095662	0.61	O=C(C1CCCC1)OCC1CC=CCC1
MCULE-4227913812	0.61	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CBr)=O
MCULE-8841120984	0.61	CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)C)C
MCULE-4298463614	0.61	O=C1C(C)(C)[C@@]2([H])[C@]([C@]3([C@@](CC2)(C)[C@]2(C)C(=C(CC2)[C@H](C)C[C@H](O)[C@@H]2C(C)(C)O2)C[C@@H]3O)[H])(C)CC1
MCULE-8690639813	0.61	[C@]12(C)[C@H](C)CC(C=C1CC[C@@H](C(C)=C)C2)=O
MCULE-8934838036	0.61	C12(C)C=CC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(CO)=O)CC(O)C21)C)=O
MCULE-3394759576	0.61	C1(=O)C=C2CC[C@@H](C(=C)C)C[C@@]2(C)[C@H](C)C1
MCULE-6913740702	0.61	O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)([H])OC(C)=O
MCULE-9340600776	0.61	C1C(C(CCC=1C)CC(=O)OCC)=O
MCULE-3280168913	0.61	C1C(C(CCC=1C)CC(OCC)=O)O
MCULE-8543584572	0.61	C1(=O)C2CC=CC1CC2
MCULE-2674516333	0.61	C1(CC2CC1C=C2)C(OCCCCBr)=O
MCULE-7436540606	0.61	C1(C(=O)CC(CC=1O)(C)C)CC1C(=O)CC(CC=1O)(C)C
MCULE-4303966960	0.61	C[C@@]12[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC1=CC(=O)CC2
MCULE-7132823730	0.61	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
MCULE-8374344586	0.61	O=C1C(CCC2CCCCC=2)COC1
MCULE-2603291254	0.61	[C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
MCULE-2356606074	0.61	C1C[C@@]2(C)[C@]3([H])CC[C@H]4C(=C)C[C@@]3(C4)[C@@H](C(O)=O)[C@]2([H])[C@@](C(=O)O)(C)[C@H]1O
MCULE-1428417742	0.61	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
MCULE-5593960668	0.61	O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)OC(CC)=O
MCULE-1019761033	0.61	C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C[C@]2(O)C(=C)C1
MCULE-9795083418	0.61	O=C1CC[C@@]2([C@]3(CC[C@@]4(/C(=C/C)/C(=O)C[C@@]4([H])[C@]3([H])CCC2=C1)C)[H])C
MCULE-9637050612	0.61	O=C1CCC2C(=C1)CCC1(C)C2CC=CC1
MCULE-1691349217	0.61	O=C1CC2CCC1(OC)C=C2
MCULE-9020191331	0.61	C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4([H])[C@@]([H])([C@](C)(CC/C=C(/C)\C)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-3893717167	0.61	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](CC)C2C(C)=O
MCULE-1572938680	0.61	C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4([H])[C@@]([H])([C@](C)(CC/C=C(\C)/C)O)CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2([H])C(C)(C)[C@H]1O
MCULE-5426201745	0.61	C1/C(=C/CC(=O)CO)/CCCCC1
MCULE-9678628720	0.61	C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C[C@@]2(O)C(=C)C1
MCULE-9661302470	0.61	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCCC(C)C
MCULE-2585598299	0.61	C/C(=C/CCC(C1C2C(CC3C(C)(C2(C)CC1)CCC1C3(CCC(C1(C)C)O)C)O)(O)C)/C
MCULE-1005769729	0.61	C1C[C@]2(C)C(CC/C(/C)=C/C(=O)O)=C(C)C(=O)CC2C(C)(C)C1
MCULE-5764697777	0.61	C1=CC2(C)C3C(C4CCC(O)(C(=O)CO)C4(CC3O)C)CC(C)C2=CC1=O
MolPort-000-713-536	0.61	CC(C)C[NH+](CC(C)C)Cc1c([O-])c(C[NH+](CC(C)C)CC(C)C)c2oc(cc(=O)c2c1[O-])-c1ccccc1
MolPort-000-424-034	0.61	CC(C)CN(CC(C)C)Cc1c(O)c(CN(CC(C)C)CC(C)C)c2oc(cc(=O)c2c1O)-c1ccccc1
MolPort-005-926-652	0.61	COc1ccc(cc1OC)-c1cc(=O)c2cc(NC(=O)C3CC3)ccc2o1
MolPort-000-451-276	0.61	Cc1oc2cc(O)ccc2c(=O)c1-c1ccccc1
MolPort-003-582-554	0.61	Nc1ccc2oc(cc(=O)c2c1)-c1ccc(F)cc1
MolPort-006-069-435	0.61	Oc1cc(O)c2c(c1)occ(-c1ccc(O)c(O)c1)c2=O
MolPort-002-512-544	0.61	COc1cc(cc(=O)c2c(C)oc(C)c12)-c1ccc(I)o1
MolPort-000-695-723	0.61	Oc1c(oc2ccccc2c1=O)-c1ccccc1Cl
MolPort-001-739-588	0.61	Cc1cc(O)cc2oc3cc(O)cc(O)c3c(=O)c12
MolPort-000-671-067	0.61	Cc1ccc(cc1)C(=O)Oc1ccc2oc(cc(=O)c2c1)-c1ccc(C)cc1
MolPort-000-676-281	0.61	Cc1ccc(cc1)-c1cc(=O)c2cc(OCC(N)=O)ccc2o1
MolPort-001-524-670	0.61	COc1ccccc1-c1oc2ccccc2c(=O)c1O
MolPort-039-052-338	0.61	CC(C)(O)CCc1c(O)cc(O)c2c1oc(-c1ccc(O)cc1)c(O)c2=O
MolPort-005-945-291	0.61	COc1cc(O)c2c(c1)oc(-c1ccc(O)cc1)c(-c1c(O)cc(O)c3c1oc(cc3=O)-c1ccc(O)cc1)c2=O
MolPort-000-668-417	0.61	COc1ccc(cc1)-c1cc(=O)c2cc(OC(=O)c3cccc(Br)c3)ccc2o1
MolPort-001-955-789	0.61	Cc1ccc2c(c1)oc(cc2=O)-c1cccc(F)c1
MolPort-000-592-557	0.61	[O-][Cl](=O)(=O)=O.CCOc1cc([o+]c2ccc(C)cc12)-c1ccc(OC)cc1
MolPort-035-706-137	0.61	CC(C)=CCc1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1
MolPort-005-914-419	0.61	Oc1cc(OCC(=O)NC2CCCC2)cc2oc(cc(=O)c12)-c1ccccc1
MolPort-000-703-563	0.61	CCOc1cc(cc(=O)c2c(C)oc(C)c12)-c1ccc(OC)c(OC)c1
MolPort-002-083-682	0.61	Oc1ccc(cc1)-c1cccc(=O)o1
MolPort-008-821-915	0.61	Cc1cc(C)c2oc(cc(=O)c2c1)-c1cc(Br)cc(Br)c1O
MolPort-008-819-794	0.61	CCc1ccc2oc(-c3ccc(cc3)C(O)=O)c(O)c(=O)c2c1
MolPort-008-819-795	0.61	OC(=O)c1ccc(cc1)-c1oc2ccc(Cl)cc2c(=O)c1O
MolPort-001-848-225	0.61	CCOc1ccc(cc1)-c1cc(OC)c2c(C)oc(C)c2c(=O)c1
MolPort-002-509-348	0.61	Brc1ccc2oc(cc(=O)c2c1)-c1cc2ccccc2o1
MolPort-002-893-124	0.61	OC(=O)c1cc(=O)c2c(O)cccc2o1
MolPort-039-338-763	0.61	CC(C)=CCc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1O
MolPort-003-148-177	0.61	Cc1cc2oc(=O)cc(-c3cc4ccccc4o3)c2cc1O
MolPort-001-987-175	0.61	CCOc1cc(ccc1O)-c1cc(OCC)c2c(C)oc(C)c2c(=O)c1
MolPort-002-510-589	0.61	Oc1c(oc2ccc(F)cc2c1=O)-c1ccc2OCCOc2c1
MolPort-002-528-562	0.61	Oc1c(oc2ccc(Cl)cc2c1=O)-c1ccc2OCCOc2c1
MolPort-005-914-712	0.61	COCCCNC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-005-916-749	0.61	Oc1cc(OCC(=O)Nc2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
MolPort-000-603-304	0.61	CCOc1c(oc2cc(C)c(C)cc2c1=O)-c1ccc(OC)c(OC)c1
MolPort-000-668-412	0.61	COc1ccc(cc1)-c1cc(=O)c2cc(OC(=O)Cc3ccccc3)ccc2o1
MolPort-000-676-245	0.61	Cc1ccccc1C(=O)Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1
MolPort-000-718-801	0.61	CSc1ccc(cc1)-c1cc(O)c2c(C)oc(C)c2c(=O)c1
MolPort-000-695-894	0.61	Cc1ccc2oc(-c3ccco3)c(O)c(=O)c2c1
MolPort-001-572-720	0.61	Oc1c(oc2cc(Cl)ccc2c1=O)-c1ccc2OCOc2c1
MolPort-039-141-229	0.61	[O-][Cl](=O)(=O)=O.COc1c(C)c(O)cc2[o+]c(ccc12)-c1ccccc1
MolPort-000-640-629	0.61	Clc1ccc2oc(cc(=O)c2c1)-c1ccccc1Cl
MolPort-000-713-125	0.61	CCOc1cc(cc(=O)c2c(C)oc(C)c12)-c1cc(OC)c(OC)c(OC)c1
MolPort-000-668-433	0.61	COc1ccc(cc1)-c1cc(=O)c2cc(OCc3c(Cl)cccc3Cl)ccc2o1
MolPort-001-902-690	0.61	[O-][N+](=O)c1ccc(COc2cc(OCc3ccc(cc3)[N+]([O-])=O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1
MolPort-001-839-744	0.61	CC(=O)Oc1cc(O)c2c(c1)oc(-c1ccc(OC(C)=O)c(OC(C)=O)c1)c(OC(C)=O)c2=O
MolPort-000-695-724	0.61	Oc1c(oc2ccccc2c1=O)-c1ccco1
MolPort-008-003-322	0.61	Oc1ccc2oc(cc(=O)c2c1CC=C)-c1ccccc1
MolPort-005-916-867	0.61	OCCOCCNC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-046-594-202	0.61	O[Cl](=O)(=O)=O.COc1c(C)c(O)cc2[o+]c(ccc12)-c1ccccc1
MolPort-039-141-229	0.61	[O-][Cl](=O)(=O)=O.COc1c(C)c(O)cc2[o+]c(ccc12)-c1ccccc1
MolPort-029-885-765	0.61	COC(=O)CC(C(C)C)c1c(O)c(O)c(O)c2c1oc(cc2=O)-c1ccccc1
MolPort-030-041-742	0.61	CCOc1cc(cc(=O)c2c(C)oc(C)c12)-c1ccc(OC)c(O)c1
MolPort-039-052-338	0.61	CC(C)(O)CCc1c(O)cc(O)c2c1oc(-c1ccc(O)cc1)c(O)c2=O
MolPort-035-706-137	0.61	CC(C)=CCc1c(O)cc(cc1O)-c1cc2ccc(O)cc2o1
MolPort-039-338-763	0.61	CC(C)=CCc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)cc1O
MCULE-1128702855	0.61	C1C[C@]2(C)[C@@]3([H])CC(=O)[C@]4(C)[C@@]([H])([C@@H](C)O)CC[C@@]4([H])[C@]3([H])C=CC2=CC1=O
MolPort-046-594-202	0.61	O[Cl](=O)(=O)=O.COc1c(C)c(O)cc2[o+]c(ccc12)-c1ccccc1
MCULE-5576651337	0.61	[H]C(O)(C)C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MolPort-003-582-663	0.61	COc1ccc(cc1)-c1cc(=O)c2cc(NC(=O)Nc3ccccc3)ccc2o1
MCULE-2971132760	0.61	C1(C)(CC2CC1C=C2)C(OCCCCBr)=O
MolPort-000-450-878	0.61	Cc1ccc(cc1)-c1cc(=O)c2cc(Cl)cc(Cl)c2o1
MCULE-8955106048	0.61	C1(C)(C)C(=O)C2C(C)(C)C2C=C1
MolPort-002-226-159	0.61	Oc1ccc2c(c1)occ(-c1cc3ccccc3o1)c2=O
MCULE-9464302631	0.61	C12C(O)[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2
MolPort-029-885-765	0.61	COC(=O)CC(C(C)C)c1c(O)c(O)c(O)c2c1oc(cc2=O)-c1ccccc1
MCULE-6360105150	0.61	O=C1C(CC2CCCC=2)COC1
MolPort-002-536-089	0.61	Oc1cc(OCC(=O)N2CCCC2)cc2oc(cc(=O)c12)-c1ccccc1
MCULE-5172373620	0.61	C1(C)(CC2CC1C=C2)C(OCCCCCl)=O
MolPort-001-799-071	0.61	Oc1cc(OCc2c(F)cccc2Cl)cc2oc(cc(=O)c12)-c1ccccc1
MCULE-9383833777	0.61	C1(O)CC2(C(O)(CO)C(=CC(C2C(C)(C1)C)=O)C)C
MolPort-002-536-278	0.61	OCCCNC(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MCULE-6489922503	0.61	OC(C1CC/C(=C(\F)/F)/CC1)=O
MolPort-008-821-914	0.61	COc1cc(cc(Cl)c1O)-c1cc(=O)c2cc(Br)cc(Br)c2o1
MCULE-2014220888	0.61	O=C1C=CCC2(CCC3C4CCC(C4(C)CCC3C21C)=O)[H]
MolPort-000-674-961	0.61	Cc1cc(C)c2oc(cc(=O)c2c1)-c1ccc(cc1)C(O)=O
MCULE-2188882812	0.61	C1C([H])(C)C2([H])C(=O)OC(=O)C2([H])C([H])(C)C=1
MolPort-000-450-855	0.61	Fc1ccccc1-c1cc(=O)c2cc(Br)ccc2o1
MCULE-4694903563	0.61	C(CO)(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)[H]
MolPort-001-635-042	0.61	CC(C)c1ccc(cc1)-c1oc2ccc(Cl)cc2c(=O)c1O
MCULE-7639346141	0.61	C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)[C@H]1O
MolPort-001-909-460	0.61	CCOc1cc(cc(=O)c2c(C)oc(C)c12)-c1ccc(O)c(OC)c1
MCULE-9929984425	0.61	OCC1(C2C3CC(CC3)C2)CC=CC1
MolPort-000-741-250	0.61	CCOc1cc(ccc1O)-c1cc(OC)c2c(C)oc(C)c2c(=O)c1
MCULE-8984962328	0.61	[H]C12CC(O)C=CC1(C)C1CCC3(C)CCCC3C1CC2
MolPort-030-041-742	0.61	CCOc1cc(cc(=O)c2c(C)oc(C)c12)-c1ccc(OC)c(O)c1
MCULE-3425686308	0.61	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MolPort-000-450-858	0.61	COc1ccccc1-c1cc(=O)c2cc(Cl)ccc2o1
MCULE-4729751323	0.61	C[C@@H]1[C@@](C(CO)=O)(O)[C@]2(C)[C@H]([C@H]3[C@H](C(C2)=O)[C@]2(C)C(=CC(C=C2)=O)CC3)C1
MolPort-003-378-434	0.61	Oc1ccc2oc(=O)cc(-c3cc4ccccc4o3)c2c1
MCULE-4967331616	0.61	OC(C1(C2CCOCC2)CC=CC1)=O
MolPort-000-695-888	0.61	COc1ccc(OC)c(c1)-c1oc2ccc(C)cc2c(=O)c1O
MCULE-2594150628	0.61	C12[C@H](CO)C(CC=1CC1(CC2(CO)CC(C1)(C)C)C)(C)C
MCULE-1467475131	0.61	C1C=C2CCC(O)C2C1
MCULE-4238406785	0.61	CC1C(CC2CCCC=2)C(=O)CO1
MCULE-1599764188	0.61	[C@]12(O)C[C@H](C)[C@H](O)[C@]1([H])[C@H](O)C(=C)CC[C@@H]1C(C)(C)[C@@H]1C=C(C)C2=O
MolPort-002-536-287	0.60	CC(=O)Nc1ccc(NC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1
MolPort-001-839-864	0.60	Oc1cc(OCC(=O)c2ccc(Cl)cc2)cc2oc(cc(=O)c12)-c1ccccc1
MolPort-005-913-596	0.60	Oc1cc(OCC(=O)N2CCCCC2)cc2oc(cc(=O)c12)-c1ccccc1
MolPort-005-916-928	0.60	CN(CCC#N)C(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-000-856-998	0.60	Oc1ccc(CCNC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1O
MolPort-020-006-012	0.60	COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(O)cc(O)c2c(=O)c1O
MolPort-005-914-800	0.60	COc1ccc(CNC(=O)COc2cc(O)c3c(c2)oc(cc3=O)-c2ccccc2)cc1
MolPort-000-744-860	0.60	CN1CC[NH+](Cc2c([O-])c(C[NH+]3CCN(C)CC3)c3oc(cc(=O)c3c2[O-])-c2ccccc2)CC1
MolPort-000-732-065	0.60	CCOc1cc(cc(=O)c2c(C)oc(C)c12)-c1ccc(OC)cc1
MolPort-000-732-363	0.60	CCOc1cc(cc(=O)c2c(C)oc(C)c12)-c1ccc(O)cc1
MolPort-007-695-900	0.60	CCOc1cc(cc(=O)c2c(C)oc(C)c12)-c1ccc(OCc2ccccc2)cc1
MolPort-000-725-595	0.60	CCOc1ccc(cc1)-c1cc(OCC)c2c(C)oc(C)c2c(=O)c1
MolPort-000-424-039	0.60	CN1CCN(Cc2c(O)c(CN3CCN(C)CC3)c3oc(cc(=O)c3c2O)-c2ccccc2)CC1
MolPort-003-582-704	0.60	CCOc1ccc(cc1)-c1cc(=O)c2cc(NC(=O)Nc3ccccc3)ccc2o1
MolPort-000-659-568	0.60	[O-][N+](=O)c1ccc2oc(cc(=O)c2c1)-c1ccc2OCCOc2c1
MolPort-000-676-282	0.60	CC(C)OC(=O)COc1ccc2oc(cc(=O)c2c1)-c1ccc(C)cc1
MolPort-003-106-562	0.60	COc1ccc(cc1)-c1cc(=O)c2ccc(NC(C)=O)cc2o1
MolPort-020-006-012	0.60	COc1ccc(cc1)-c1oc2c(CC=C(C)C)c(O)cc(O)c2c(=O)c1O
MolPort-000-695-885	0.60	COc1ccccc1-c1oc2ccc(C)cc2c(=O)c1O
MolPort-000-695-876	0.60	Cc1ccc2oc(c(O)c(=O)c2c1)-c1ccccc1Cl
MolPort-027-838-892	0.60	Cc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(Cl)cc1
MolPort-023-298-915	0.60	COc1ccc(cc1)-c1oc2c(OC)c(OC(C)=O)cc(OC(C)=O)c2c(=O)c1OC
MolPort-000-668-454	0.60	CCCCOC(=O)COc1ccc2oc(cc(=O)c2c1)-c1ccc(OC)cc1
MolPort-003-106-486	0.60	COc1ccc(cc1)-c1cc(=O)c2cc(NC(=O)C(C)(C)C)ccc2o1
MolPort-000-676-251	0.60	COc1ccc(cc1OC)C(=O)Oc1ccc2oc(cc(=O)c2c1)-c1ccccc1
MolPort-002-893-913	0.60	Clc1ccc(cc1Cl)-c1cc(=O)c2ccccc2o1
MolPort-002-704-348	0.60	Cc1ccc2c(c1)oc(cc2=O)-c1ccco1
MolPort-000-676-292	0.60	Clc1ccc(cc1)-c1cc(=O)c2cc(OCC=C)ccc2o1
MolPort-027-838-892	0.60	Cc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(Cl)cc1
MolPort-000-648-478	0.60	CCOc1ccccc1-c1cc(=O)c2cc(C)ccc2o1
MolPort-000-668-431	0.60	COc1ccc(cc1)-c1cc(=O)c2cc(OCc3ccc(Cl)cc3Cl)ccc2o1
MolPort-000-668-432	0.60	COc1ccc(cc1)-c1cc(=O)c2cc(OCc3ccc(Cl)c(Cl)c3)ccc2o1
MolPort-005-914-482	0.60	Oc1cc(OCC(=O)N2CCSCC2)cc2oc(cc(=O)c12)-c1ccccc1
MolPort-023-298-915	0.60	COc1ccc(cc1)-c1oc2c(OC)c(OC(C)=O)cc(OC(C)=O)c2c(=O)c1OC
MolPort-002-849-131	0.60	Cc1cc(=O)cc(o1)-c1ccccc1
MolPort-006-657-183	0.60	O=c1c(-c2ccc3ccccc3c2)c(oc2ccccc12)-c1ccccc1
MolPort-000-450-876	0.60	Fc1ccc(cc1)-c1cc(=O)c2cc(Cl)ccc2o1
MolPort-000-424-543	0.60	COc1ccc(cc1OC)-c1c(C)oc2cc(O)ccc2c1=O
MCULE-4519887456	0.60	COC(C(CC1CCCCC=1)(N)C)=O
MCULE-7044206712	0.60	C1(C(O)C)C(C)=CCCC1
MCULE-7818588594	0.60	CCCCCC[C@@](O)(CC=CCCCCCCCC(OCC)=O)[H]
MCULE-6786480650	0.60	O=C1C2CC=C3CC4(CCC3(C)C2C(O)CC1)OCCO4
MCULE-9494795833	0.60	C(/CC(N)CC(=O)O)=C/CCC
MCULE-3969146797	0.60	C1(=C)C2CCC1CC(C(OC)=O)C2
MCULE-2325358551	0.60	C1(C(CC)=O)C(C)=CCC(C(C)C)C1
MCULE-7442498630	0.60	C1(=O)C2C(C)C(C)=C(CC2C(=O)O1)/C=C(\C)/C
MCULE-7634836202	0.60	CC1C(CC/C=C(\C)/C)(O)CCC1
MCULE-1401500807	0.60	O=C1C(CC2CC=CCC2)COCC1
MCULE-4795427452	0.60	C(C1CC=C(C)C(=O)C1)(C)(C)OC(=O)C
MCULE-9145625609	0.60	C1(C(=O)OC)C(C)CC(O)=C(C)C1=O
MCULE-2318177037	0.60	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])CC(=O)C2=CC1=O
MCULE-7045925975	0.60	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCC(C)C)=O)C)=O
MCULE-9861301536	0.60	C1C(CC(CC=1C)CCC)=O
MCULE-7502094563	0.60	OC1(CCCCC1)CC1CC=CC1
MCULE-6499922066	0.60	C12C(=O)C3C4CC(C=C4)C3C(=O)C1O2
MCULE-7590026618	0.60	CC1C(CC2CC=CC2)(O)CCCC1
MCULE-4161096186	0.60	BrCC(C1C2C=CC(CC2)C1)=O
MCULE-3475190281	0.60	BrCC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-6005158959	0.60	CC1CC(CC2CC=CC2)(O)CCC1
MCULE-6460864523	0.60	ClCC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-2990920571	0.60	CC1(C(CC2CC=CC2)=O)CCCCC1
MCULE-1835141621	0.60	C12C3C=CC(C3=C(C)C)C1C(OC2=O)=O
MCULE-5889534913	0.60	CC(C1(C(O)=O)CC(C)C1)C=C
MCULE-6499205732	0.60	O=C1C=C(CCC2OCCCC2)CC1
MCULE-4355376092	0.60	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](O)C2=C[C@H]1O
MCULE-7051793102	0.60	C1C[C@]2(C)CC[C@@H](C(C)=C)CC2=C(C)C1=O
MCULE-2856968398	0.60	C1=CC2C3C4C(C(CCO)C13)C=CC4C2CCO
MCULE-3287434696	0.60	C/C(/C)=C/CCC1(C(C)(C)CCC1)O
MCULE-7510353884	0.60	COC(C1([C@@H]2C=C[C@@H](C2)C1)N)=O
MCULE-5354591097	0.60	C1=C(C)CC[C@@H](C(C)C)C(=O)CC(=C)CC1
MCULE-3959532000	0.60	C/C(/C)=C/CCC1(CCCCCC1)O
MCULE-1887138472	0.60	O=C1C(C)C(CC)C(C)C(CC)=C1
MCULE-5822421820	0.60	[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCCCCCCCC)=O)C)=O
MCULE-7840184850	0.60	CC1C(C(CC2CC=CCC2)=O)CCO1
MCULE-1602734224	0.60	O(C(CCCCCC)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O
MCULE-5859688598	0.60	C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O
MCULE-4098753787	0.60	C12C(=O)CCC(C(=C)CCC1C(C)(C)C2)O
MCULE-3541447914	0.60	C(=O)(OCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
MCULE-9323409980	0.60	[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCC(C)C)=O)C)=O
MCULE-6674928970	0.60	C12C3[C@](C)(CC[C@](C)(C(OC)=O)C3)CC[C@@]1(C)[C@]1(C(C(=O)C=2)[C@@]2(C)C[C@H](Br)C(C(C)(C)C2CC1)=O)C
MCULE-9960917770	0.60	[C@H]1(/C=C/[C@](O)(C)CCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC
MCULE-9000317976	0.60	O=C(CCC1CCCC1)O[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1
MCULE-3207105074	0.60	CC(=O)O[C@H](C(=O)C(C)C)C[C@@H](C)C1CC[C@@]2([C@@]3([C@]([C@H](CC=12)O)([H])[C@]1(C)[C@@](C(C(=O)CC1)(C)C)([H])CC3)C)C
MCULE-7083384019	0.60	CC1=C2C[C@H](C(=C)C)CC[C@@]2(C)CCC1=O
MCULE-1753087854	0.60	C12C3C4CCCC4C1C(COC(C)=O)C1C4CCC5C(=O)C3C(C4=5)C21
MCULE-9420495436	0.60	O=C1[C@@]2([C@]([C@H](C(=C)[C@H](O)C[C@]3([H])C(C)(C)[C@]3([H])C=C1C)O)([H])[C@@H](O)[C@@H](C)C2)O
MCULE-4643502339	0.60	CC(CC1(C(O)=O)CC=CC1)=CCl
MCULE-9290289108	0.60	C1(C)C(=O)C=CC(C(C)C)C1
MCULE-8706542409	0.60	C12(C)C3C(C4C(C)(CC3)CCC=4)CCC1=CC(=O)CC2
MCULE-4184427131	0.60	C1C(C)(C)C(O)(/C=C/C(=O)C)C(C)=CC1=O
MCULE-9454333017	0.60	[C@]12(C)CCC(C(Cl)=C1CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)=O
MCULE-4894965151	0.60	[H]C12CC(OC)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1CC2
MCULE-8516870635	0.60	[C@]12(O)CC[C@]3(C(CC[C@]3(O)C#N)C1CCC1=CC(=O)CC[C@]21C)C
MCULE-2997418374	0.60	C(OCC(CC)CCCC)(=O)CCCCCCCC=CCCCCCCCC
MCULE-6805519453	0.60	[C@]12(C)CCC(C(Cl)=C1CCC1C2CC[C@]2(C1CCC2O)C)=O
MCULE-9551990259	0.60	CC1=CC(=O)CC(CC)C1
MCULE-7186760793	0.60	C1C[C@]2(C)[C@@H](/C=C/C(=O)C)[C@](C)(O)[C@@H](O)[C@H](O)C2C(C)(C)C1
MCULE-7547377444	0.60	[C@]12(C)CC[C@@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(Br)[C@]2(O)C(C)=O)[H]
MCULE-2021729654	0.60	OC1C(O)CC2=C(CCCC2)C1
MCULE-5866611081	0.60	[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(C)C)=O)C)=O
MCULE-7827480563	0.60	C1=C(C(C(O)C(C(C)C)C1O)=O)CO
MCULE-3445538277	0.60	C1(CCCC1=O)(C/C=C(\C)/C)C(OCC)=O
MCULE-1044387998	0.60	C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)CCC5CCCC5)CCC4C3CCC2=C1
MCULE-5059755813	0.60	C1(C)C2([H])C(O)([H])CCC2([H])C=1
MCULE-6135208734	0.60	CC1([C@@H]2C(C=C3[C@@](C)([C@H]12)[C@H](C)CCC3)=O)C
MCULE-4012121864	0.60	[C@@H]1(CC=C(C)C(=O)C1)C(C)(C)OC(=O)C
MCULE-1070952436	0.60	C1=CC2C3C4C5C6(C(=O)C=CC(=O)C26C4C=C5)C13
MCULE-6612456038	0.60	C(O)(=O)C1(C)CC=CC1
MCULE-4386964450	0.60	[C@@H]1(C)[C@H](O)[C@]2([H])[C@@H](O)C(=C)[C@H](O)C[C@@H]3C(C)(C)[C@@H]3C=C(C)C(=O)[C@@]2(O)C1
MCULE-5078166082	0.60	C1C[C@@]2([H])[C@@](C)(CC[C@H]([C@@]2(CC/C(/C=O)=C\C(=O)O)C)C)C(C)=C1
MCULE-9392368882	0.60	C1=CC(CCC1(CCC)CCC)=O
MCULE-7172594390	0.60	C1C[C@@]2([H])[C@@](CC[C@H]([C@]2(C)CC/C(=C/C(=O)O)/CO)C)(C(CO)=C1)C
MCULE-9714033230	0.60	CCC(C)CC(CC(CO)CC(C)/C=C(/C=C(/CC(C)C(=O)O)\C(O)=O)\C)C
MCULE-7592737892	0.60	C1(C(=O)O)C2C=CC(C2)C=1C(=O)O
MCULE-5465935467	0.60	C12C(C)(C)CCCC=1CC(C)C(COC(C)=O)C2
MCULE-1159166918	0.60	[C@]12(C)C[C@]([H])(O)[C@]3([C@@](C)(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)O)[H]
MCULE-7382046053	0.60	C1(C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CCCCCC)CC3)CC2)=O
MCULE-6930955162	0.60	C1(CCCCC)C(=O)CCC=1C
MCULE-6716714175	0.60	C1CC(C)=CCC1C(C)(C)OC(=O)C
MCULE-9945703672	0.60	[C@]12(C)CCC3=C4CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(O)CC#N
MCULE-4529602980	0.60	C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CC)CC3)CC2
MCULE-4909263569	0.60	C[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](OC(=O)CCCCCCCCCC)[C@@]3(C)CC[C@]21[H]
MCULE-4005939250	0.60	C12(C)CCC3C(CCC4CCCCC34C)C1CC(=CC(C)C)C2=O
MCULE-6551845413	0.60	C1(=O)C=C2C(CC1)=C1[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](CC#N)(O)CC3)CC2
MCULE-4772039176	0.60	[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCC1CCCC1
MCULE-4574679606	0.60	[C@@]123C(=O)C(=C)[C@H](CC[C@@]1([H])[C@]1(C)CCC(=O)C(C)(C)[C@@]1([H])C[C@H]2O)[C@H]3O
MCULE-5488659453	0.60	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CC)=O)C)=O
MCULE-5874149529	0.60	[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCCCCC
MCULE-6347475200	0.60	C(CCCCCC)(C1C=CCCC1)O
MCULE-9000594402	0.60	C[C@@H]1[C@H](O)[C@]2([H])[C@@H](O)C(=C)[C@H](O)C[C@@H]3C(C)(C)[C@@H]3C=C(C)C(=O)[C@@]2(O)C1
MCULE-8392201259	0.60	C[C@@]12[C@@H](OC(=O)CCCCCCCCC)CC[C@]1([C@]1([C@]([C@@]3(C(=CC(=O)CC3)CC1)[H])([H])CC2)[H])[H]
MCULE-7584425650	0.60	C1CC2(C)C(=O)OC(=O)C2(C)CC=1
MCULE-7495390356	0.60	C1(=O)C(CCCC1C1CCCCC=1)CC1CCCC(C2CCCCC=2)C1=O
MCULE-1287633510	0.60	C1(CCCCCC)=CCCC1=O
MCULE-9430504051	0.60	C123CCC=CCCC1(C(C(=O)C2C(OC)=O)C(OC)=O)C(C(=O)C3C(OC)=O)C(OC)=O
MCULE-4960489764	0.60	C1[C@@H]([C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)CC1)OC([C@@H](C)CC)=O
MCULE-4876623874	0.60	OC(C1(CCC1)CC=C)=O
MCULE-7876630177	0.60	OC(C1CC=CC1)=O
MCULE-2841725041	0.60	O=C(C1C2C1COC2)CC1CC=CCC1
MCULE-3857929176	0.60	O=C1C=C(CC2C3C=CC(CC3)C2)CC1
MCULE-8049371882	0.60	[C@H]1(O)C[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MCULE-5302779679	0.60	CC1OCC(C(CC2CC=CCC2)=O)C1
MCULE-3985606919	0.60	[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C(=O)O)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)C
MCULE-2618463932	0.60	[C@H]1(O)C[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MCULE-2133304297	0.60	C1(C(OC)=O)C(N)C2CC1C=C2
MCULE-1244483126	0.60	[C@]12(O)C[C@H](C)[C@H](O)[C@]1([H])[C@H](O)C(=C)[C@H](O)C[C@@H]1C(C)(C)[C@@H]1C=C(C)C2=O
MCULE-6114441516	0.60	COC1C(C(C2CCCCCC=2)=O)C1
MCULE-7588379835	0.60	C1CC(C2C(O)CC(C)=CC(=O)C21C)(O)C(C)C
MCULE-1095043105	0.60	C12(C)C(=O)C3C4CC(C=C4)C3C(=O)C1O2
MCULE-2643922279	0.60	C1(CCCCC)=CCCC1=O
MCULE-8616711102	0.60	C1C[C@]2(C)[C@@]3([H])CC[C@@](C=C)(C)C=C3CC[C@@]2([H])[C@](C)(CO)[C@H]1O
MCULE-8627319345	0.60	[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CC)=O)C)=O
MCULE-7535047148	0.60	CC12CCC(=O)C=C1C(=O)CC1C2CCC2(C)C1CCC2=O
MCULE-1426909577	0.60	C1(=O)C[C@@]2([H])[C@H](C)CC(=O)/C(=C(\C)/C)/[C@@]2([H])C=C1C
MCULE-1919718019	0.60	C1CC2CCC=C2C(C)(C)C1=O
MCULE-1235419293	0.60	O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)=O)C(C)=O
MCULE-1018439007	0.60	C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4Cl)([H])[C@]1([H])CC[C@@H]2O
MCULE-6632272840	0.60	O=C1C2(C)C=CC(C1(O)C)C1C(C)=C(O)C(C)=CC12
MCULE-8613188927	0.60	CCCCCCC(O[C@@H]1[C@@]2(C)CC[C@@H]3[C@]4(C)C(=CC(CC4)=O)CC[C@H]3[C@@H]2CC1)=O
MCULE-1698252366	0.60	C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1[C@H](O)CC1(C)C(CC[C@]12O)[C@@](C)(O)[C@@H](O)CCC(C)(C)O
MCULE-3983794608	0.60	OC1C(=O)CCC=1CC
MCULE-4172470592	0.60	C(C)(=O)OC1CCC2(C)C(C1)(C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])=O)[H]
MCULE-5384019764	0.60	C12CC(CCC1(C)CCC(=O)C=2C)C(C)=C
MCULE-7174333293	0.60	C1C(C[C@@H](CC=1C)CCC)=O
MCULE-1385714254	0.60	C123C4C5C6C(C1(C(=O)C=C2C)C5C=C4)C=CC36
MCULE-7102510254	0.60	CC1(C)C(=O)CCC2(C)C1CC(O)C13C(=O)C(=C)C(C1O)CCC32
MCULE-2123440957	0.60	CC1C2(C)C(=CC(C3C(C)(C)C32)=O)CCC1
MCULE-1025553559	0.60	C(C1=CCCC2(CCCCC2)C1)O
MCULE-8407720746	0.60	C1(C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CCCCCCCCCC)CC3)CC2)=O
MCULE-1124335251	0.60	C(OC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCCC
MCULE-7079731514	0.60	O=C1[C@@]2([C@]([C@H](C(=C)[C@H](O)C[C@]3([H])C(C)(C)[C@]3([H])C=C1C)O)([H])[C@@H](O)[C@@H](C)C2)O
MCULE-2384003351	0.60	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCCCCCCCC)=O)C)=O
MCULE-7343644414	0.60	C[C@@]12CC[C@@]3([H])C([C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)C1=CC[C@]1([H])[C@]3([H])C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@@]21C)(C)C
MCULE-3363997729	0.60	C1=CC(=O)C(C([H])=C(C(O)CCCCC)[H])C1CC([H])=C(CCCC(=O)O)[H]
MCULE-9310183372	0.60	C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)O
MCULE-7433867323	0.60	C1(=O)CC2(CC(=O)OC2CC1)C/C=C(\C)/CC/C=C(\C)/C
MCULE-2266413616	0.60	C1CC(O)C2(C)CC2C(C(CC=C1C)(CO)C)O
MCULE-9003092096	0.60	[Na+].C12(CCC(C(C)(C)C1=C)C2)C(=O)[O-]
MCULE-9127936983	0.60	C1C(O)C2(C)CCC(C(C(O)=O)=C)C(O)C2C(=C)C1
MCULE-8765746285	0.60	C1C(O)C2(C)CCC(C(C(O)=O)=C)C(O)C2C(C)(O)C1
MCULE-3608441851	0.60	C12(C)CCC3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2OC(CCCCCCCCC)=O)[H]
MCULE-7389041577	0.60	CC1=C(CC=O)C(C)(C)CCC1
MCULE-5174909262	0.60	C(CCCCCCCC=CCCCCCCCC)(OCCCC)=O
MCULE-6875559589	0.60	C1(OC(C)=O)(CCC2C3C(C4CCC(CC4=CC3)C(OC)=O)CCC12)C(=O)COC(C)=O
MCULE-9771385800	0.60	C[C@@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(CC(CC2)O)=CC3=O)[H])([H])CC1)CCCC(C(F)(F)F)(F)C(F)(F)F
MolPort-000-668-410	0.60	COc1ccc(cc1)-c1cc(=O)c2cc(OC(=O)C3CCCCC3)ccc2o1
MolPort-002-675-092	0.60	CC1CCN(CC1)C(=O)COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
MolPort-001-739-803	0.60	Cc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12

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