Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-002-510-148	0.94	CC1(C)CCC2=C1CCC1C2CCC2C[C@@]3(CO3)CC[C@]12C
MCULE-4894965151	0.94	[H]C12CC(OC)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1CC2
MolPort-046-790-430	0.89	CO[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C
MCULE-7068613182	0.86	[H]C12CC(OC)CCC1(C)C1C(O)CC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2
MolPort-039-338-300	0.84	CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
MolPort-028-754-127	0.84	CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
MolPort-039-338-134	0.84	CC1(C)CC[C@]2(C)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1
MolPort-023-312-565	0.84	C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CC[C@@]21CO1
MolPort-035-706-315	0.84	C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC=C1C
MolPort-003-892-645	0.84	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
MolPort-003-925-568	0.84	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MCULE-3247130765	0.84	OC1CC(CC2CC=CCC2)CCC1
MCULE-6689462252	0.84	OCCCC1C2C=CC(CC2)C1
MCULE-7089035597	0.84	C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(C)CCC(C)C(C)C21[H])[H]
MCULE-1097149426	0.84	OC1C(CC2CC=CCC2)CCCC1
MCULE-2960240255	0.84	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-2258281526	0.84	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC12CO1
MCULE-9142574238	0.83	C1C(C(OC)C)C(C)=CCC1
MolPort-002-522-880	0.82	CC[C@@H](\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC)C(C)C
MCULE-5808724300	0.82	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](OC)CC[C@]34C)C1CC[C@@H]2[C@H](C)C=C[C@H](CC)C(C)C
MCULE-9539653799	0.82	[H]C12CC(OC)=CCC1(C)C1CCC3(C)CCCC3C1CC2
MolPort-044-637-544	0.81	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)C5CC[C@@]34C)[C@@H]2[C@H]1C
MolPort-046-764-451	0.81	[2H]C([2H])([2H])C([2H])([2H])[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@]12C
MolPort-002-507-443	0.81	CCC(O)CCC1(C)CCC(C)=CC1C
MolPort-002-511-854	0.81	CCC(O)CC[C@]1(C)CCC(C)=CC1C
MolPort-002-911-100	0.81	CC12CCC3C(CCC4=CCCCC34)C1CCC2O
MolPort-002-527-314	0.81	CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC4
MolPort-002-529-788	0.81	CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)C2C1)[C@@]1(C)CCC(O)C(C)(C)C1CC4
MolPort-039-052-639	0.81	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-039-339-171	0.81	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C)CC[C@]12C
MolPort-046-690-337	0.81	C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-511-836	0.81	CC(O)CC[C@]1(C)CCC(C)=CC1C
MCULE-7023706443	0.81	C1C(O)C(C)(C)C2CC=CCC2(C)C1
MCULE-4780950529	0.81	[H]C12CCCC=C1CCC1C3CCC(O)C3(C)CCC21
MCULE-3236832984	0.81	C12(C)C(C(C)CCCO)CCC1C1C(CC2)C2(CCCCC2C=C1)C
MCULE-1095982134	0.81	[H]C12CC(O)CCC1(C)C1C=CC3(C)C(CCC3C(C)CCCO)C1CC2
MCULE-5946438019	0.81	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-1038909539	0.81	C1C[C@]2(C)C3CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2[C@](CO)(C)[C@@H]1O
MCULE-5100609642	0.81	[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
MCULE-4975286883	0.81	C1CC(CC2CCCO2)CCC=1C
MCULE-1091603091	0.81	C1=C(C)CC[C@@](C)(CCC(C)O)C1C
MCULE-2215895979	0.81	C1=C(C)CCC(C)(CCC(CC)O)C1C
MolPort-046-790-358	0.79	C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-027-637-273	0.79	CC1=C2C[C@@H](CC[C@]2(C)CCC1)C(C)(C)O
MolPort-029-887-078	0.79	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-035-706-287	0.79	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-338-446	0.79	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1
MolPort-046-793-116	0.79	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-687-421	0.79	CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
MolPort-039-194-134	0.79	CCC(\C=C\C(C)C1CC[C@H]2C3=CC[C@H]4CC(O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-035-706-394	0.79	CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]12
MolPort-000-146-138	0.79	C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-019-937-479	0.79	CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
MolPort-002-506-872	0.79	C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
MolPort-002-525-071	0.79	C\C=C(\CC[C@@H](C)[C@H]1CCC2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-046-683-361	0.79	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-925-627	0.79	CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-003-959-866	0.79	C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
MolPort-006-169-225	0.79	CC(CCC=C(C)C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3
MolPort-003-986-853	0.79	C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)CC=C
MolPort-035-706-324	0.79	CC(C)[C@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
MolPort-004-956-484	0.79	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-028-599-899	0.79	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-039-338-516	0.79	C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
MolPort-044-562-373	0.79	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-027-945-607	0.79	CC(CCC=C(C)C)C1CCC2(C)C3=C(CCC12C)C1CCC(O)C(C)(C)C1CC3
MolPort-039-338-835	0.79	C\C=C(\CC[C@@H](C)[C@H]1CC[C@H]2C3=CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-028-599-898	0.79	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
MolPort-035-706-400	0.79	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
MolPort-027-836-465	0.79	C[C@H](CCC=C(C)C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-039-338-728	0.79	C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MCULE-8080610827	0.79	[H]C12CCCCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C31C(C2)O3
MCULE-9666470335	0.79	O[C@@]1(CC=C)CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
MCULE-6927409255	0.79	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-9083020972	0.79	C1C[C@@]2(C)CC[C@@H](C(O)(C)C)CC2=C(C)C1
MCULE-6049121935	0.79	[H]C12C(C)(CCC(O)C1)C1(CCC3(C)C(C(C)CCC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-3918504016	0.79	[C@@]12([H])CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
MCULE-2778793698	0.79	C12(C)CCC(C(C)CC/C=C(\C)/C)C1(C)CCC1C3C(C(C)(C)C(CC3)O)CCC2=1
MCULE-5010058438	0.79	[H]C12CCCC=C1CCC1C3CCC(CC=C)(O)C3(C)CCC21
MCULE-6577726631	0.79	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-6692951185	0.79	[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-5494176046	0.79	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-8719465843	0.79	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-5371316798	0.79	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
MCULE-6020208251	0.79	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
MCULE-5127489047	0.79	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]
MCULE-1620592725	0.79	C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CO)CCC(C)C(C)C21[H])[H]
MCULE-7682763192	0.79	[C@@]12(C)CC[C@@]3(CO)CC[C@@H](C)[C@H](C)[C@@]3([H])C1=CC[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@]12C
MCULE-9808647935	0.79	[H]C12C(C)(CCC(O)C1)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
MolPort-046-766-184	0.78	C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CC(O)CC[C@]34C)[C@H]1CC=C2
MolPort-046-764-556	0.78	C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC=C2
MolPort-035-706-366	0.78	CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@]2(C)CC1
MolPort-046-702-693	0.78	CC(CCC1OC1(C)C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-002-522-252	0.78	C[C@]12CCC3C(CC=C4CC(O)CC[C@]34C)C1CC[C@@]21CCO1
MolPort-006-709-371	0.78	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2
MolPort-002-501-970	0.78	CO\C1=C\CCCCCC1
MCULE-4140921077	0.78	C1CCC=C(OC)CCC1
MCULE-2997369368	0.78	CC1(CC(O)CC1)CC1CC=CCC1
MCULE-7656108129	0.78	CC1C(CC2CC=CCC2)CCC1O
MCULE-3919531574	0.78	C1CC(CCC=1C)C(C)CO
MCULE-6807015507	0.78	OC1C(CC2CC=CCC2)CCC1
MCULE-5343555845	0.78	OC1CC(CC2CC=CCC2)CC1
MolPort-046-589-793	0.77	CCCC\C=C/CCCCCCCCCCCCO
MolPort-046-792-964	0.77	CCCCCCCCCC\C=C/CCCCCCCCO
MolPort-003-931-111	0.77	CCCCCCCC\C=C/CCCCCCCCO
MolPort-006-131-022	0.77	CCCC\C=C/CCCCCCCCCCO
MolPort-002-511-086	0.77	CC\C=C\CCCCCCCCCCO
MolPort-003-987-053	0.77	CCCCCCCC\C=C/CCCCCCCCCCCCO
MolPort-003-721-217	0.77	CCCC\C=C\CCCCCCO
MolPort-003-959-163	0.77	CCCCCC\C=C/CCCCCCCCO
MolPort-006-128-344	0.77	CCC\C=C/CCCCCCCO
MCULE-2999920945	0.77	C12(C)C(C(C)CCC(OC)=O)CCC1C1C(CC2)C2(CCCCC2C=C1)C
MCULE-2298294846	0.77	C12(C)C(=CC(OC)CC1)CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21
MCULE-2458465887	0.77	O=C(OC)CCC(C)C1CCC2C1(C)C(O)CC1C2CCC2C=CCCC21C
MCULE-6860357182	0.77	C(CC)=CCCCCCCCCCCO
MCULE-5459783064	0.77	C(CCCCCCCO)=CCCCCCCCO
MCULE-1916450603	0.77	C(CCCCCCCCO)=CCCCCCCCCO
MCULE-4623064101	0.77	CCCCCCCCC=CCCCCCCCCCCCCO
MCULE-1321155051	0.77	CCCCCCCC/C=C\CCCCCCCCO
MCULE-7776107404	0.77	C(CO)CCCCCCC=CCCCCCCCC
MCULE-3459401523	0.77	OC1C(CC2CC=CCC2)COCC1
MCULE-6751502597	0.77	[H]C12CC(OC)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C31C(C2)O3
MolPort-042-621-338	0.76	OC[C@@H]1C[C@H]2CC[C@@H]1C=C2
MolPort-035-706-321	0.76	CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-002-507-656	0.76	OC1CCCCC1C1=CCCCC1
MolPort-001-739-625	0.76	CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO
MolPort-001-762-324	0.76	OCC1CC2CCC1C=C2
MolPort-001-742-411	0.76	C[C@@]12C[C@]3(CCC4[C@](C)(CO)CCC[C@@]4(C)C3CC1)C=C2
MolPort-002-508-476	0.76	CC1CCC2(C)C(C)=CCCC2(C)C1OC=O
MolPort-007-980-885	0.76	COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
MolPort-035-706-202	0.76	CC(C)[C@]1(O)CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12
MolPort-046-156-410	0.76	CC(C)[C@H](C)CC[C@@H](C)[C@H]1CCC2=C3CC[C@H]4C(=C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-465	0.76	C[C@@H]1C[C@H](O)[C@]2(C)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
MolPort-035-706-384	0.76	CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CCC2=C4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
MolPort-039-338-465	0.76	C[C@H]1[C@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)CC=C1C
MolPort-039-052-535	0.76	CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@](C)(C=C)C=C3CC[C@@H]12
MolPort-035-706-404	0.76	CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-035-706-405	0.76	CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-035-882-175	0.76	CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)=CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-408	0.76	CC1(C)CC[C@]2(CO)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
MolPort-046-683-597	0.76	CC(C)=C1CCC(C)(O)CC1.CC(=C)C1CCC(C)(O)CC1.CC1=CCC(CC1)C(C)(C)O
MolPort-035-706-398	0.76	CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
MolPort-046-158-505	0.76	CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
MolPort-020-005-732	0.76	CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
MolPort-042-675-527	0.76	CC(CC(O)C1OC1(C)C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C
MolPort-035-706-427	0.76	C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-035-706-459	0.76	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
MolPort-046-509-060	0.76	CC1(C)CC[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-035-706-387	0.76	CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
MCULE-1242105368	0.76	C1C[C@@]2([H])[C@H](C)CC[C@@](O)(C(C)C)[C@@]2([H])C=C1C
MCULE-7081301004	0.76	OC[C@H]1[C@H]2C=C[C@H](CC2)C1
MCULE-6002311928	0.76	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
MCULE-5000750749	0.76	C1C2C3C(C4CC3C(O)C4)C(C2)C=1
MCULE-5954084349	0.76	CC(C(CC1CC=CCC1)O)(O)C
MCULE-8650890619	0.76	CC1(C(C(CC2CC=CCC2)O)C1)C
MCULE-1285320299	0.76	[C@@]12(C)CCC[C@@](C)(CO)C1CC[C@@]13C[C@](C=C1)(C)CCC32
MCULE-6934635209	0.76	C1C[C@]2(C)[C@@]3([H])CC[C@]4([C@]5([H])CC(C)(C)CC[C@@]5(CC=C4[C@]3(C)CC[C@@]2([H])C([C@H]1OC(=O)C)(C)C)C)C
MCULE-7903486032	0.76	C1CC2(C)C3CCC4(C)C(C(C)CC(O)C5OC5(C)C)CCC4(C)C3=CCC2C(C)(C)C1O
MCULE-4176831119	0.76	C12(C)CCC(C(OC=O)C1(C)CCC=C2C)C
MCULE-8392723345	0.76	C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)OC
MolPort-044-729-335	0.75	OCC1CCC\C=C/CC1
MolPort-006-133-148	0.75	CC(O)C(C)CCC1CC=C(C)C1(C)C
MCULE-1283725377	0.75	C(C1CCOCC1)C1CC=CC1
MCULE-8681032285	0.75	C(C1CC=CC1)CC1CCOCC1
MCULE-5054812995	0.75	COC1CC(CC2CC=CC2)(O)C1
MolPort-003-938-957	0.74	CCCCCC\C=C/CCCCCCCC(=O)OC
MolPort-003-938-950	0.74	CCCCCC\C=C\CCCCCCCC(=O)OC
MolPort-003-916-055	0.74	CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC
MolPort-003-933-240	0.74	CCCCCCCC\C=C\CCCCCCCC(=O)OC
MolPort-009-019-018	0.74	CCCCCCCC\C=C/CCCCCC(=O)OC
MolPort-003-938-663	0.74	CCCC\C=C/CCCCCCCC(=O)OC
MolPort-003-959-376	0.74	CCCCCCCCCCC\C=C/CCCCC(=O)OC
MolPort-001-740-140	0.74	CCCCCCCC\C=C/CCCCCCCC(=O)OC
MolPort-003-927-107	0.74	CCCCCCCC\C=C/CCCCCCCCCC(=O)OC
MolPort-003-927-108	0.74	CCCCCC\C=C/CCCCCCCCCC(=O)OC
MolPort-003-959-122	0.74	CCCCC\C=C/CCCCCCCCCCC(=O)OC
MolPort-003-849-688	0.74	CCCCCCCCC=CCCCCCCCC(=O)OC
MolPort-003-959-894	0.74	CCCCCC\C=C\CCCCCCCCCC(=O)OC
MolPort-003-941-737	0.74	CCCCCC\C=C/CCCCCCCCC(=O)OC
MolPort-003-960-121	0.74	CC\C=C/CCCCCO
MolPort-035-706-402	0.74	CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@H]5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-020-015-946	0.74	CC(C)=CCC[C@@](C)(O)[C@@H]1CCC(C)=CC1
MolPort-039-242-524	0.74	CC1=C(C)CC(CC1)C(C)(C)O
MolPort-035-706-316	0.74	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2[C@H]1C)OC(C)=O
MolPort-044-755-193	0.74	CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C
MolPort-042-694-227	0.74	[NaH].CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H]3CCC4CC(O)=CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-039-052-543	0.74	C[C@@]1(CC[C@H]2C(CC[C@H]3[C@](C)(CO)[C@@H](O)CC[C@]23C)=C1)C=C
MolPort-039-338-735	0.74	C[C@H]([C@H](O)CC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
MolPort-039-052-525	0.74	CC(C)C1=CC[C@@]2(C)[C@H](O)CC[C@](C)(O)[C@@H]2C1
MolPort-029-943-150	0.74	CC1=CCC2C(C)(CO)CCCC2(C)C1CO
MolPort-046-691-387	0.74	C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)CO
MolPort-035-706-308	0.74	CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
MolPort-019-937-461	0.74	CC1(C)[C@H](O)[C@H](O)C[C@]2(C)[C@H]3CCC4[C@@](C)(CCC5[C@@](C)(CO)[C@H](O)CC[C@]45C)CC3=CC[C@@H]12
MolPort-046-790-431	0.74	CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C=C1
MolPort-038-386-697	0.74	CC1CCC(O)C2(C)CCC(C=C12)C(C)(C)O
MolPort-001-762-271	0.74	COC(C)(C)CCCC(C)C=C
MolPort-002-135-200	0.74	CC(C)C1OC2CCCCC2C2=CCCCC12
MolPort-046-764-422	0.74	[2H]C([2H])([2H])C(O)(CCC=C(C)C)[C@H]1CCC(C)=CC1.[2H]C([2H])([2H])C(O)(CCC=C(C)C)[C@@H]1CCC(C)=CC1
MolPort-002-800-510	0.74	CC(C)(C)OC1CCC2(C)C3CCC4(C)C(O)CCC4C3CC=C2C1
MolPort-002-511-651	0.74	C1CCC2(CC1)O[C@@H]1CCCCC1C1=CCCCC21
MolPort-001-942-596	0.74	C1CCC2(CC1)OC1CCCCC1C1=CCCCC21
MolPort-001-895-260	0.74	CC1CC2=C(CC1CO)C(C)(C)CCC2
MolPort-002-042-108	0.74	CC1=CCC(CC1)C(C)(C)O
MolPort-006-123-991	0.74	CC(C)=CCC[C@](C)(O)[C@H]1CCC(C)=CC1
MolPort-003-932-718	0.74	CC1=CC[C@H](CC1)C(C)(C)O
MolPort-003-939-209	0.74	CC1=CC[C@@H](CC1)C(C)(C)O
MolPort-002-534-147	0.74	CC(C)=CCCC(C)(O)C1CCC(C)=CC1
MolPort-002-135-199	0.74	CCCC1OC2CCCCC2C2=CCCCC12
MCULE-8493572612	0.74	C([H])(CCCCCCCC)=C(CCCCCCCCCCCC(=O)OC)[H]
MCULE-5533097898	0.74	C(CCCC(=O)OC)CCCC=CCCCCCC
MCULE-2350131012	0.74	C(CCCCCCCCC=CCCCCCC)(OC)=O
MCULE-1052417281	0.74	C(CCCCCCCCCCCCCC=CCCCCCCCC)(OC)=O
MCULE-4995415924	0.74	C(CCC)CCCC/C=C\CCCCCCCC(=O)OC
MCULE-6534469638	0.74	C(CCCCC=CCCCC)CCC(=O)OC
MCULE-3684696083	0.74	CCCCCC/C=C/CCCCCCCC(OC)=O
MCULE-8140747078	0.74	C(CCCCCCCC=CCCCCCCCC)(OC)=O
MCULE-1025553559	0.74	C(C1=CCCC2(CCCCC2)C1)O
MCULE-8616711102	0.74	C1C[C@]2(C)[C@@]3([H])CC[C@@](C=C)(C)C=C3CC[C@@]2([H])[C@](C)(CO)[C@H]1O
MCULE-7364976100	0.74	C1[C@@H](O)[C@]2(C)CC=C(C(C)C)C[C@@]2([H])[C@@](C)(O)C1
MCULE-3681708984	0.74	C/C(/C)=C/CCC1CCOCC1
MCULE-4778747911	0.74	C1C(O)C2(C)CCC(C(O)(C)C)C=C2C(C)C1
MCULE-6626480267	0.74	C1CC2C(O)C3CC=CCC3C(O)C2CC=1
MCULE-8722569228	0.74	C1CC2(C)C(CO)C(C)=CCC2C(CO)(C)C1
MCULE-4154375600	0.74	C12(C(CC=CC1)(CO)CCCC2)CO
MCULE-7446284675	0.74	C1=CC2CCC1C(CO)C2CO
MCULE-7760721294	0.74	C1CC2(CCCCC2(CO)C(C)C=1)CO
MCULE-8949375623	0.74	C/C(/C)=C/CCC1CC(O)CCC1
MCULE-7205970629	0.74	C(C(C)CCCC(C)(C)OC)=C
MCULE-2867849826	0.74	C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2O)C)OC(C)(C)C
MCULE-5578038643	0.74	O(C1CCC2C1(C)CCC1C2CC=C2CCCCC21C)C(C)=O
MCULE-5818791588	0.74	C12(C)CCC3C(CC=C4CC(OC)(OC)CCC34C)C1CCC12CO1
MCULE-9600703174	0.74	C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCCOC(C)=O)CCC4C3CCC2(C1)[H]
MCULE-5948139424	0.74	C1[C@H](O)CC2=CCC3C4[C@@H]5C[C@@H]5[C@](CCC(OC)OC)(O)[C@@]4(C)CCC3[C@@]2(C)C1
MCULE-6843594884	0.74	C12=CCCCC1C1(OC3CCCCC23)CCCCC1
MCULE-4103920893	0.74	C12C3C(C4(C)C(CC3)CC(OC(C)=O)CC4)CCC=1C(CC2)(C)C
MCULE-6184897823	0.74	C(O)(C)(C)[C@@H]1CC=C(C)CC1
MCULE-6240066964	0.74	C1C(C)=CC[C@H](C(O)(C)C)C1
MCULE-3206249578	0.74	C1CC(CCC=1C)C(C)(CC/C=C(\C)/C)O
MCULE-9174314602	0.74	C1C[C@H](CCC=1C)[C@](C)(CC/C=C(\C)/C)O
MCULE-9798755896	0.74	C1CC(CCC=1C)C(C)(C)O
MCULE-8948864854	0.74	C(O)(C)(C)[C@H]1CC=C(C)CC1
MCULE-7790352459	0.74	C[C@@]1([C@H](CC2CCCC=2)CCCC1)O
MCULE-6347475200	0.74	C(CCCCCC)(C1C=CCCC1)O
MCULE-7846055076	0.74	C1C[C@@]([H])(CCC=1C)[C@@](C)(CC/C=C(/C)\C)O
MCULE-8414811975	0.74	CC(C)([C@H]1CCC(C)=CC1)O
MCULE-1536375497	0.74	CC1(C(CC2CCCC=2)CCCC1)O
MCULE-7044206712	0.74	C1(C(O)C)C(C)=CCCC1
MolPort-001-782-919	0.73	OCCC1CCCC=C1
MCULE-2212790664	0.73	OC1C(CC2CC=CCC2)COC1
MCULE-4970766691	0.73	C12C=CCC1C1C(OCC=C)CC2C1
MCULE-8677770591	0.73	C1(C)C2(C)C(OC)(OC)C(C)(C3CCC4C(C5(C)C(C)=C(C)C4(C)C5(OC)OC)CCC23)C=1C
MCULE-8634856533	0.73	C1CC2(OC)CCC1CC2CC=C
MCULE-8621711737	0.73	C12([H])CCC=CCCC1(C2C(OC)=O)[H]
MCULE-6436563816	0.73	C(CCCCCC)CC1CC=1CCCCCCCC(=O)OC
MCULE-7968068959	0.72	C1(CCCCCCC=C)OC1
MCULE-3634019791	0.72	CC1CC(CC/C=C(\C)/C)C(O)CC1
MCULE-6675572295	0.72	C/C(/C)=C/CC[C@H]1[C@@](O)(C)CCCC1
MCULE-1988512755	0.72	C/C(/C)=C/CCC1C(O)(C)CCCC1
MCULE-3492445798	0.72	C/C(/C)=C/CCC1C(O)CCCC1
MCULE-5328909649	0.72	C1CCC=CCCC(OC)C(O)CCC=1
MCULE-7278937153	0.72	CCOC1CCC(/C=C(\C)/C)(O)CC1
MolPort-002-530-568	0.72	CC[C@@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-003-940-755	0.72	CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-934-737	0.72	[2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H]2C1)[C@H](C)CCCC(C)C
MolPort-002-506-883	0.72	CC[C@@H](CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-003-941-119	0.72	C[C@H](CCC=C(C)C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-785-933	0.72	CC1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-001-942-595	0.72	C1CCC2(C1)OC1CCCCC1C1=CCCCC21
MolPort-002-799-485	0.72	CC1(C)CCC[C@]2(C)[C@H](O)C=CC[C@@H]12
MolPort-002-514-171	0.72	COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC[C@]13C=C(C(C)C)C(CC21)[C@@H]1[C@H]3C(=O)CCC1=O
MolPort-002-508-292	0.72	C1CCC2(C1)OC1CCCC[C@@H]1C1=CCCCC21
MolPort-000-737-923	0.72	CC1=CCCC(C1)C1OCC2CCC(=C)C1C2
MolPort-007-980-917	0.72	COC(=O)[C@]1(C)CCC[C@@]2(C)C1CCC13C=C(C(C)C)C(CC21)[C@@H]1[C@H]3C(=O)CCC1=O
MolPort-002-511-646	0.72	C1CCC2(C1)O[C@@H]1CCCCC1C1=CCCCC21
MolPort-002-509-754	0.72	CC(C)(CO)C1OC2CCCCC2C2C=CCCC12
MolPort-004-956-055	0.72	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-002-511-730	0.72	OCCCC[C@@H]1O[C@@H]2CCCCC2C2=CCCCC12
MolPort-002-498-855	0.72	C=CCCCCCCC1CO1
MolPort-000-730-299	0.72	CC(CCC=C(C)C)CC1CC(=C)C2CCC(C)CC2O1
MolPort-006-393-281	0.72	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-029-996-102	0.72	COC(=O)[C@@H]1[C@H]2CC\C=C/CC[C@@H]12
MolPort-002-506-888	0.72	C[C@]1(O)CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-003-850-254	0.72	[2H]C([2H])([2H])C([2H])(C(CC)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-764-597	0.72	[2H]C([2H])([2H])C([2H])(C(C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-001-742-476	0.72	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-001-535-945	0.72	CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-006-069-169	0.72	C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-941-696	0.72	CC(C)CCC[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-941-744	0.72	CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-892-585	0.72	CCC(\C=C\C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
MolPort-006-111-384	0.72	CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-006-169-893	0.72	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-009-199-159	0.72	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-000-697-037	0.72	CC(C)CCCC(C)C1CC[C@H]2C3CC=C4CC(O)CCC4(C)[C@H]3CCC12C
MolPort-005-938-581	0.72	CCC(\C=C\C(C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-006-666-182	0.72	CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
MolPort-003-941-681	0.72	CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-006-169-892	0.72	CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-506-911	0.72	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-525-884	0.72	C[C@]1(O)CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-029-996-101	0.72	COC(=O)[C@H]1[C@H]2CC\C=C/CC[C@@H]12
MolPort-046-703-371	0.72	CC(C)C(O)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-046-762-692	0.72	CC(C)[C@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-046-033-528	0.72	CC[C@@H](\C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-044-830-522	0.72	C\C=C(/CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-044-830-320	0.72	CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-727-592	0.72	[2H]C([2H])([2H])C(O)(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-044-754-061	0.72	CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
MolPort-046-196-386	0.72	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-046-153-784	0.72	CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)[C@@H]1O
MolPort-046-689-114	0.72	[2H]C([2H])([2H])C([2H])(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-755-201	0.72	C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2
MolPort-039-052-643	0.72	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-035-882-121	0.72	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-761-538	0.72	[2H]C([2H])([2H])C([2H])(CCCC(C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-764-598	0.72	[2H]C([2H])(CC(C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C([2H])(O)C([2H])(C)C
MolPort-046-764-571	0.72	C[C@@H](O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-046-693-545	0.72	[2H]C([2H])([2H])C([2H])(C(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-764-702	0.72	C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]3CC[C@H](O)C3CC[C@@H]21
MolPort-035-706-328	0.72	CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@@]21C
MolPort-046-690-010	0.72	CC(C)CCCC(C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-689-497	0.72	C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-689-405	0.72	[2H]C([2H])([2H])C(=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-044-562-009	0.72	CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-560-209	0.72	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-183-187	0.72	[2H]C([2H])([2H])C(O)(CCC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C([2H])([2H])[2H]
MolPort-044-183-170	0.72	CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-589-846	0.72	CCCCCCCC\C=C/CCCCO
MolPort-046-761-951	0.72	C\C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-303	0.72	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C
MolPort-044-755-261	0.72	C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3
MolPort-035-706-325	0.72	CC(C)[C@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]21C)OC(C)=O
MolPort-035-706-399	0.72	CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C
MCULE-8358015855	0.72	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-039-052-559	0.72	COC(C)(C)[C@@H](O)[C@H](O)C[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MCULE-6498196947	0.72	C12C=CC1C1CC(O)C12
MolPort-039-338-463	0.72	C[C@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(C)CCC1=C
MCULE-9819330201	0.72	[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]
MolPort-023-331-232	0.72	C\C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MCULE-6265228650	0.72	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(CC)C(C)C
MolPort-046-682-865	0.72	CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-8423145149	0.72	[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]
MolPort-039-338-727	0.72	C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)CC[C@]12C
MCULE-1576185930	0.72	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-046-509-053	0.72	CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(CO)C[C@@H]1O
MCULE-3896942700	0.72	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-046-426-779	0.72	[2H]C([2H])([2H])C(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MCULE-7049960827	0.72	[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]
MolPort-046-418-687	0.72	CC(C)C(O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-6069203147	0.72	C1C(C(C)CCCC(C)C)C2(C)CCC3C(CC=C4C3(C)CCC(O)C4(C)C)C2C1
MolPort-039-339-159	0.72	CC(CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-5784478301	0.72	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCCC(C)C
MolPort-044-183-267	0.72	C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-4737708041	0.72	OC1(COC1)CC1CC=CC1
MolPort-046-687-433	0.72	CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@@H]12
MCULE-6413140986	0.72	[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-042-624-515	0.72	C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-1713939889	0.72	C12CC(O)(C)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
MolPort-046-067-628	0.72	O[C@H]1C2CCC[C@H]1C1=C(CCCC1)C2
MCULE-1910237865	0.72	[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
MolPort-046-773-764	0.72	[2H]C([2H])([2H])C(CCC[C@@H](C)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C([2H])([2H])[2H]
MCULE-4587768251	0.72	[H]C12CC(O)CCC1(C)C1(C)C(O)CC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2
MolPort-039-338-303	0.72	C[C@@H]1CC[C@]2(C)[C@H](C[C@H](O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
MCULE-2409753351	0.72	[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]
MCULE-6114329924	0.72	[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
MCULE-3433785012	0.72	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]
MCULE-1216746738	0.72	[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-9379846923	0.72	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
MCULE-9644532124	0.72	[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
MCULE-5523061914	0.72	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
MCULE-2151239915	0.72	C1CC2(C3C(=CCCC3)C3C(CCCC3)O2)CC1
MCULE-2981823417	0.72	C1CC2C(CC=C3CC(OCCC(C)C)CCC23C)C2CCC(C(C)CCCC(C)C)C12C
MCULE-1540404527	0.72	[C@]12(C)CCC3C(CC=C4CC(OCCC)CC[C@]34C)C1CCC2C(C)/C=C/C(CC)C(C)C
MCULE-7789504566	0.72	C12(C)CCC3(C([H])(CC=C4CC(OCCCC)CCC34C)C1([H])CCC2([H])C(C)CCCC(C)C)[H]
MCULE-5003752801	0.72	C1CC2C(CC=C3CC(OCCC)CCC23C)C2CCC(C(C)CCCC(C)C)C12C
MCULE-1104455109	0.72	C1(C)(C(C)CCC2(C)C(=CCCC21)C)CC1CC(CCC1OC(C)=O)OC(C)=O
MCULE-5812699460	0.72	OCC1(CCCCC1)CC1CC=CC1
MolPort-046-788-548	0.71	CC\C=C\CCCCCCCCCCC[C@@H](O)C[C@@H](O)CO
MolPort-004-831-283	0.71	CC1=CCC(CO)CC1
MolPort-001-921-993	0.71	CC(C)\C=C1/CCCCC1O
MolPort-002-135-314	0.71	CC(O)CC\C=C(/C)CCC1C(C)=CCC2C(C)(C)CCCC12C
MolPort-022-878-942	0.71	OCCC1=CCCCC1
MolPort-035-789-558	0.71	CC(C)(O)CC1=CCCCC1
MCULE-3038839535	0.71	C12C(C)(C)CCCC=1CC(C)C(CO)(CO)C2
MCULE-4325412913	0.71	OC1C(CCC2CCCCC=2)COC1
MCULE-3790245367	0.71	C1(CO)(CO)C(C)CC(=CC1C)C
MCULE-5218215077	0.71	COCC1(C2C=CC(C2)C1)O
MCULE-2646733803	0.71	C123C=CC1(CC1OC1C2)CCCC3
MCULE-6148148354	0.71	C1(C)C(C(O)C2(CO)C(C)CC=CC2)CC=CC1
MCULE-9679008761	0.71	C12C(CCO)=CCC(C1(C)C)C2
MCULE-7419704729	0.71	C123C=CC1(CCC(O)C2)CCCC3
MCULE-1726466932	0.71	C1CCC2C(OC)([H])C2C=1
MCULE-8922781922	0.71	OC(C1OCCC1)CC1CC=CCC1
MCULE-8789756191	0.71	C12(C)C(=CCC)CCC1C1C(CC2)C2(C)CCC(CC2CC1)OC(C)=O
MCULE-2526639251	0.71	[C@]1(C)(C(CC=C)O)CCC(=CC1C)C
MCULE-1753855464	0.71	C1C(C)=CCC(C(=C)CCO)C1
MCULE-2011068282	0.71	C1(CO)C(C)(C)CCCC=1C
MCULE-2678960868	0.71	OCC1(CCOCC1)CC1CC=CC1
MCULE-5985352871	0.71	OCC1(CC=CC1)CC1CCOCC1
MCULE-8870631989	0.71	COC1C(C2(CC=CC2)CO)CCC1
MCULE-5222700453	0.71	C1CCC(C(OC)OC)CC=1
MCULE-5887388555	0.71	C(=C/CCC(C)CC(O)C)(/C)\C
MCULE-9123998949	0.71	C1CC(CC(OC)=O)(C)C(CC(OC)=O)(C)CC=1
MCULE-6334133550	0.71	C1CC([H])(CC(OC)=O)C([H])(CC(OC)=O)CC=1
MCULE-4045769000	0.71	C(CCCOC(=O)C)CCC=CCCCC
MCULE-9935430898	0.71	C(C(CCCCCC)CC=CCCCCCCCC(OC)=O)(C)=O
MCULE-3596150007	0.71	C(CCCCOC(=O)C)CCCCCC=CCCCC
MCULE-7933091917	0.71	C(C)(OCCCCCCCCC=CCCCCCCCC)=O
MCULE-8752174219	0.71	CCOC1CCC(=CC(O)C)CC1
MCULE-7334417627	0.71	CC(CC1CCCCC=1)(O)C
MCULE-5667364535	0.71	C(C=CC(O)CCCCC)(C)(C)C
MCULE-4514313259	0.71	CCCCCCC(O)CC=CCCCCCCCCO
MCULE-8019425107	0.71	C1C(C(O)C)C=CCC1
MCULE-6377131123	0.71	C1CC(CO)CCC=1C
MCULE-8699525142	0.71	C1(CCCCC1O)=CC(C)C
MolPort-046-691-378	0.71	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
MolPort-006-125-474	0.71	CCC\C=C/CCCCCCCOC(C)=O
MolPort-019-930-612	0.71	CC1(C)[C@H]2CC1C(CCO)=CC2
MolPort-003-846-086	0.71	CC1=C(CO)C(C)(C)CCC1
MolPort-003-930-540	0.71	CC1(C)C2CC1C(CCO)=CC2
MolPort-001-942-587	0.71	CC1CC2=C(CC1(CO)CO)C(C)(C)CCC2
MolPort-002-506-918	0.71	CC1C=C(C)CCC1(CO)CO
MolPort-002-510-076	0.71	CC1C=C(C)CC[C@@]1(C)C(O)CC=C
MolPort-000-714-524	0.71	CC1CC(C)=CC(C)C1(CO)CO
MolPort-003-721-218	0.71	CC\C=C\CCCCCCCCOC(C)=O
MolPort-003-959-121	0.71	CCCCCCCC\C=C/CCCCCCCCOC(C)=O
MolPort-009-019-283	0.71	CCCCCC\C=C/CCCCCCCCCCOC(C)=O
MolPort-001-790-844	0.71	CC1(C)[C@@H]2C[C@H]1C(CCO)=CC2
MolPort-006-126-833	0.71	CCCC\C=C/CCCCCCCCCCOC(C)=O
MolPort-035-705-936	0.70	CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)[C@@H](O)CO
MolPort-044-561-253	0.70	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C
MolPort-046-596-414	0.70	C[C@]12CCC3C(CC=C4CC(O)CC[C@]34CO)C1CCC2O
MolPort-046-761-473	0.70	CC[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O
MolPort-046-693-102	0.70	C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@H]34)[C@@H]1CC[C@@H]2O
MolPort-046-426-158	0.70	CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@H](O)[C@@]2(CO)[C@@H](O)[C@@H]1O
MolPort-046-762-740	0.70	CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@@H]3CC[C@]12C
MolPort-046-424-108	0.70	CCC(CCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(CO)C3CC[C@]12C)C(C)C
MolPort-035-706-514	0.70	CC(C)[C@@H]1C[C@@H](O)[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3[C@@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]21C
MolPort-044-723-460	0.70	C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2
MolPort-044-649-704	0.70	COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-046-761-784	0.70	C[C@]12CC[C@H]3[C@@H](CCC4=C3CC[C@H](O)C4)[C@@H]1CC[C@@H]2O
MolPort-039-339-228	0.70	C[C@@H](CC[C@@H](O)C(C)=C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)OC(C)=O
MolPort-044-755-196	0.70	CC(C)(C)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-755-245	0.70	CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(=O)C(C)C)[C@@H]3CC=C2C1
MolPort-044-649-592	0.70	COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-006-113-596	0.70	COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-046-158-542	0.70	C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-333	0.70	CO[C@H]1C=C2[C@@H](CC[C@H](O)C2(C)C)[C@]2(C)CC[C@]3(C)[C@H](CC[C@@]3(C)[C@H]12)[C@H](C)C\C=C\C(C)(C)OC
MolPort-039-338-308	0.70	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-035-706-298	0.70	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-035-706-401	0.70	COC(=O)[C@@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
MolPort-046-764-572	0.70	C[C@]12CC[C@@H]3[C@@H](CCC4=C3CC[C@H](O)C4)[C@H]1CC[C@@H]2O
MolPort-002-510-127	0.70	C[C@]12CCC3C(CC[C@H]4CC=CC[C@]34C)C1CCC21OCCO1
MolPort-046-764-560	0.70	CC1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-044-650-173	0.70	CCCCCCCCCCCCCC\C=C\CCCC(=O)OC
MolPort-002-524-912	0.70	COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CCC3[C@@]4(C)CC[C@@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
MolPort-002-523-178	0.70	CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@@H]2C4[C@@H](CCC=C4CC[C@@]32C)C(C)=C)C1(C)C
MolPort-002-521-223	0.70	COC(=O)CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-006-126-442	0.70	COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-002-506-884	0.70	COC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-529-268	0.70	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]21CO1
MolPort-002-511-796	0.70	COC(=O)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MCULE-7240141445	0.70	[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]
MolPort-002-506-876	0.70	COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-6325385060	0.70	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CCC43)[C@]1([H])CC[C@]12CO1)[H]
MolPort-000-207-694	0.70	COC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MCULE-3543018898	0.70	CC1([C@@H]2CC=C3[C@]4(C)[C@@]([C@H]([C@H](CC[C@H](C(=C)C)O)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1OC(=O)C)C
MolPort-000-823-748	0.70	COC(=O)CCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MCULE-9968073626	0.70	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@@H](OC)C=C2C[C@H]1O
MolPort-002-525-819	0.70	C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34CO)C1CC[C@@H]2O
MCULE-8805854090	0.70	[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
MolPort-002-801-261	0.70	C[C@]12CCC3C(CC[C@@]4(C)CC(C)(O)C=C[C@]34C)C1CC[C@@H]2O
MCULE-6950544067	0.70	[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-002-525-153	0.70	CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)C3CC[C@]12C)C(C)C
MCULE-5965392040	0.70	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@H](OC)C=C2C[C@H]1O
MolPort-003-912-435	0.70	CC(CCOC=O)CCC=C(C)C
MCULE-2247897001	0.70	COC(C1C2(C)C(C3C(CC2)C2(C)C(CC(CC2)O)=CC3)CC1)=O
MolPort-003-848-606	0.70	COC1=CCCCC1
MCULE-9358355806	0.70	C1=CCC23CCCCC2(C3(C(OC)=O)[H])C1
MolPort-002-800-186	0.70	CC1(C)CC2=C([C@@H]1CO)C1(CO)CC(C)(C)CC(C)(C2)C1
MCULE-5715586535	0.70	C12(C3C=CC(C45C=CC34CC=CC5)C1([H])COC2)[H]
MolPort-001-741-466	0.70	CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)C(O)CO
MCULE-2386800783	0.70	O(C1CC2CC1C1C2C2CC1C=C2)C(C)=O
MolPort-006-111-949	0.70	CC(C)=C1CCC(C)(O)CC1
MCULE-2479536906	0.70	[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]
MolPort-035-862-149	0.70	OCC1CCC=CCC1
MCULE-6814419815	0.70	[C@]12(C)CCC3C(CC[C@@]4([H])CC=CC[C@]34C)C1CCC12OCCO1
MolPort-046-793-307	0.70	CC(CCO)CC\C=C(/C)CCC=C(C)C
MCULE-3033801776	0.70	OC(C12CCCC1C2)C1CCCCC=1
MolPort-039-337-367	0.70	C\C=C\C(O)C1CCCCC1
MCULE-5781346358	0.70	C[C@@]1([C@@H](O)CO)C=C2CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]3(C)[C@@H]2CC1
MolPort-035-706-223	0.70	CC(C)=C1CC[C@]2(C)CCC[C@](C)(O)[C@H]2C1
MCULE-8305655266	0.70	[C@]12(CO)CC[C@@H](CC1=CC[C@]1([H])C2CC[C@]2(C1CC[C@@H]2O)C)O
MolPort-002-644-155	0.70	CC1CC(=C)CC(O1)C1CC=C(C)CC1C
MCULE-7493111413	0.70	C12(O)CC=CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC2
MCULE-5576651337	0.70	[H]C(O)(C)C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-9945451158	0.70	[C@]12(C)C=CC(C[C@]1(C)CCC1C2CC[C@]2(C1CC[C@@H]2O)C)(C)O
MCULE-2001524479	0.70	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-2594150628	0.70	C12[C@H](CO)C(CC=1CC1(CC2(CO)CC(C1)(C)C)C)(C)C
MCULE-2860533435	0.70	C(OCCC(C)CC/C=C(\C)/C)=O
MCULE-4694903563	0.70	C(CO)(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)[H]
MCULE-8984962328	0.70	[H]C12CC(O)C=CC1(C)C1CCC3(C)CCCC3C1CC2
MCULE-9469566080	0.70	C[C@@]12CC[C@@H](O)C(C)(C)[C@@]1([H])CCC1=C[C@@](CC[C@@]21[H])(C)[C@H](CO)O
MCULE-8629208814	0.70	O=CC1(CCOCC1)CC1CC=CCC1
MCULE-2457325018	0.70	C1CC(CCCCC(OCC)=O)CCC=1C
MCULE-3304428106	0.70	CC1CCC(CC/C=C(\C)/C)(O)CC1
MCULE-7502094563	0.70	OC1(CCCCC1)CC1CC=CC1
MCULE-1889985819	0.70	C/C(/C)=C/C(CC1CCCCC1)(O)C
MCULE-9677910881	0.70	CC1CC(CC/C=C(\C)/C)(O)CCC1
MCULE-7590026618	0.70	CC1C(CC2CC=CC2)(O)CCCC1
MCULE-2532107825	0.70	C/C(/C)=C/CCC1(CCCCC1)O
MCULE-6376135384	0.70	C1(/CCC(CC/1)(C)O)=C(\C)/C
MCULE-6005158959	0.70	CC1CC(CC2CC=CC2)(O)CCC1
MCULE-8065006413	0.70	CC1C(CC/C=C(\C)/C)(O)CCCC1
MCULE-2525056896	0.70	COCCC1CC=CC1
MCULE-6288478354	0.70	C1C[C@@]2(C)CC/C(=C(\C)/C)/C[C@]2([H])[C@@](C)(O)C1
MolPort-046-647-352	0.69	OC[C@@H]1C[C@H]2C[C@@H]1C=C2
MolPort-003-929-356	0.69	C[C@H]1CCC2=C1C[C@@H](CC[C@@H]2C)C(C)(C)O
MolPort-023-221-722	0.69	COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-418-348	0.69	COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC([C@@H]4CC[C@@]3(C)[C@]1(C)CC2)=C(C)C
MolPort-002-509-354	0.69	CC1=CC2C(CC1CO)C2(C)C
MolPort-002-130-829	0.69	OC1(CCCCC1)\C=C\C1(O)CCCCC1
MolPort-001-764-871	0.69	OC12CCC(CC1)C=C2
MolPort-000-832-089	0.69	OCC1CC2CC1C=C2
MolPort-002-513-677	0.69	CC1CC(CCC=C(C)C)=CCC1CO
MolPort-003-959-458	0.69	CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OC
MolPort-000-207-693	0.69	COC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-527-360	0.69	COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
MolPort-007-980-886	0.69	COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
MolPort-002-514-753	0.69	COC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-960-400	0.69	COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1
MolPort-009-649-408	0.69	CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC=O
MolPort-001-960-404	0.69	COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1
MolPort-002-525-704	0.69	COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
MolPort-000-713-824	0.69	CC1=CCC(CO)(CO)CC1
MolPort-046-596-377	0.69	CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC=O
MolPort-044-649-696	0.69	COCC(=C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-046-418-349	0.69	COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MCULE-2979260832	0.69	C1CC2(CO)CCCC2(CO)CC=1
MolPort-046-596-331	0.69	COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C2C1
MCULE-1110457062	0.69	OC(C1CCCCC=1)C1C(C2CC2)C1
MolPort-046-589-843	0.69	COCC(=O)[C]1CC[C@@H]2[C]1C[CH][C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
MCULE-7323379876	0.69	C1C2(CO)CCC2(CO)CC=C1
MolPort-046-702-738	0.69	C\C=C(/C)CCCC(C)(C)O
MCULE-6313856149	0.69	CC1CC(C(C2CCCCC=2)O)C1
MolPort-027-641-310	0.69	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCO
MCULE-7281449678	0.69	C1(CC/C=C(/C)\C)CC(C)C(CC=1)CO
MolPort-006-111-517	0.69	CCCCC\C=C/C\C=C/CCCCCCCCO
MCULE-7791473919	0.69	C(C1(CCCCC1)O)=CC1(CCCCC1)O
MolPort-028-747-769	0.69	CCCCCC=CCC=CCCCCCCCCO
MCULE-9554247289	0.69	C1CC2(CO)CC(C)(C)CC2(CO)CC=1
MolPort-038-949-343	0.69	CC1=C(CO)CCC(C)(C)C1
MCULE-4923642243	0.69	C1(CO)=C(C)CC2CC1C2(C)C
MolPort-037-962-730	0.69	OCC1CCCCC=C1
MCULE-7272688176	0.69	C/C(/C)=C/C(C1C2(CCOCC2)C1)O
MolPort-035-830-820	0.69	OC1CCCCCC=C1
MCULE-5897136444	0.69	[C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)OC
MolPort-000-738-432	0.69	CC1CC(C)=CCC1(CO)CO
MCULE-5183068201	0.69	C(CCCCCCCC=CCC(CCCCCC)O)(OC)=O
MolPort-004-964-558	0.69	CC\C=C/C\C=C/C\C=C/CCCCCCCCO
MCULE-5757363366	0.69	C12C3C4C=CCC4C1C(C)(C(OC)=O)C1C4CCC5(C)C(O)C3(C)C(C45)C21
MolPort-039-138-803	0.69	OCC1C[C@@H]2C[C@H]1C=C2
MCULE-5828095144	0.69	[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]
MCULE-9005119173	0.69	C1CC23C([H])(COC(=O)C)C2(CC=CC3)CC1
MCULE-5587193921	0.69	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCC(OC)=O
MCULE-5380264709	0.69	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(OC)=O
MCULE-6711156232	0.69	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
MCULE-8236621147	0.69	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-2424380947	0.69	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](OC=O)CC[C@]34C)C1CC[C@]2([H])[C@H](C)CCCC(C)C
MCULE-1548167049	0.69	C(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
MCULE-2278067941	0.69	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-3444922346	0.69	C/C(/C)=C/CCC1(CC(O)CC1)C
MCULE-3732793313	0.69	C/C(/C)=C/CCC1CC(O)CC1
MCULE-2246342919	0.69	C/C(/C)=C/CCC1CC(O)CCCC1
MCULE-1607606730	0.69	CC1C(CC/C=C(\C)/C)CCC1O
MCULE-2989209658	0.69	C1(CO)(CO)CC=C(CC1C)C
MCULE-2856968398	0.69	C1=CC2C3C4C(C(CCO)C13)C=CC4C2CCO
MCULE-2672638007	0.69	C(O)(C)(C)[C@@H]1CC[C@H](C)C2CC[C@H](C)C=2C1
MCULE-8152778304	0.69	C1(CO)(CO)CCC(=CC1)C
MCULE-9426101692	0.69	OC(C1CC=CCC1)CC1CC=CC1
MCULE-1085878457	0.69	C12CCCCC=1C(C(O)C2C)C
MolPort-028-746-905	0.68	CC(C)=CCCC(C)(O)C1CO1
MolPort-039-338-287	0.68	C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-023-221-382	0.68	C[C@@]12CCC[C@H]1[C@@H]1CCC3CC(O)=C(CC=C)C[C@@H]3[C@H]1CC2
MolPort-001-769-687	0.68	CC(CCO)CCC=C(C)C
MolPort-003-848-607	0.68	COC1=CCCCC1.COC1(CCCCC1)OC
MolPort-003-911-807	0.68	C1CC2OC2CC\C=C/1
MolPort-003-928-511	0.68	CC1=C[C@H](O)C2CC1C2(C)C
MolPort-003-926-713	0.68	OCC1(CO)CC2CC1C=C2
MolPort-003-664-628	0.68	OCC1C2CC(C=C2)C1CO
MolPort-002-525-771	0.68	CC(O)CC\C=C(/C)CC[C@@H]1C(=C)CCC2C(C)(C)CCC[C@@]12C
MolPort-001-782-917	0.68	OCC1CCCC=C1
MolPort-006-116-093	0.68	OC1CCC\C=C/CC1
MolPort-003-845-967	0.68	C[C@H](CCO)CCC=C(C)C
MolPort-002-535-711	0.68	C[C@@H](CCO)CCC=C(C)C
MolPort-002-510-621	0.68	CCC1(C)CC2(CCO1)CCC(O)C=C2
MolPort-002-911-117	0.68	CC(C)CCCC(C)C1CCC2C3CC(O)C4(C)CC(O)CCC4=C3CCC12C
MolPort-002-911-095	0.68	CC(C)CCCC(C)C1CCC2C3CC(O)C4=CC(O)CCC4(C)C3CCC12C
MolPort-039-338-103	0.68	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-201-849	0.68	COC(=O)C1CCC=CCC1
MCULE-4355376092	0.68	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
MolPort-039-338-246	0.68	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MCULE-6567295142	0.68	C1=CC2C3C4C5C6(C(O)CC5C5CC(O)C26C54)C13
MolPort-020-005-730	0.68	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]34C)C(C)=C)[C@@H]2[C@H]1C
MCULE-4778256781	0.68	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
MolPort-046-761-545	0.68	[2H]C([2H])([2H])O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
MCULE-4729152230	0.68	C12CCC(C(C)CCCC(C)C)C1(C)CCC1=C3CCC(O)CC3(C(O)CC21)C
MolPort-044-195-003	0.68	O[C@H]1CCC\C=C/CC1
MCULE-4436654330	0.68	C1=CC2C3CC3C1C(CO)C2CO
MolPort-023-332-000	0.68	C1OCC2CC=CCC12
MCULE-9038165616	0.68	CC(C(O)=O)CC1C2C=CC(CC2)C1
MolPort-044-195-719	0.68	C1C[C@H]2O[C@H]2CC\C=C/1
MCULE-2870645391	0.68	C12(C3C4C5C1C=CC5C2(CO)C4C=C3)CO
MolPort-029-945-688	0.68	CC1=C[C@H](O)[C@H]2C[C@@H]1C2(C)C
MCULE-6641232569	0.68	CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
MolPort-046-067-712	0.68	CC1CC(CCC=C(C)C)=CCC1(CO)CO
MCULE-1670830332	0.68	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]
MolPort-045-971-977	0.68	CC1(C)C2CC=C(CO)CC12
MCULE-8296033831	0.68	C(C)(=O)OC1CCC2(C)C(C1)(C(CC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])OC(C)=O)[H]
MolPort-035-706-344	0.68	C[C@H](\C=C\CC(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
MCULE-5157212193	0.68	C1=CC(O)CCC21CCOC(C)(CC)C2
MolPort-046-153-723	0.68	CC1(C)[C@@H]2CCC(CO)=C[C@H]12
MCULE-4622236046	0.68	O=C(C1CCOCC1)CC1CC=CCC1
MolPort-035-706-357	0.68	CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MCULE-4399439382	0.68	C(/C)(\C)=C/CC[C@@H](C)CCO
MolPort-028-750-814	0.68	OC1CCCC=CCC1
MCULE-3946157075	0.68	C(/C)(\C)=C/CC[C@@H](C)CCO
MolPort-028-949-679	0.68	COC1CCC(CC1)=CC#N
MCULE-2407386794	0.68	[C@@H](C)(CCO)CC/C=C(\C)/C
MCULE-4204888723	0.68	C(/C)(\C)=C/CCC(C)CCO
MCULE-3900892809	0.68	C(/C)(\C)=C/CC[C@H](C)CCO
MCULE-6673315997	0.68	C/C(/C)=C/C1(C2(CCCCC2)CC1)O
MCULE-2184969189	0.68	OCC1(CC2C(C2)C1)CC1CC=CC1
MCULE-6794880716	0.68	C/C(/C)=C/C(C1CCC2(CC2)CC1)O
MCULE-7060414091	0.68	OCC1(CC=CC1)CC1CCCCC1
MCULE-4829210533	0.68	C/C(/C)=C/C1(CCC2(CC2)CC1)O
MCULE-5351377157	0.68	C/C(/C)=C/CCC1(C2CC(CC2)C1)O
MCULE-4398307489	0.68	C/C(/C)=C/C1(C(C2CC2)CCCC1)O
MCULE-7918435177	0.68	C1(C)(C)[C@]2([H])C[C@@]1([H])C(C)=C[C@@H]2O
MCULE-5776284238	0.68	C12CC(C=C1)C(CO)C2CO
MCULE-1747951282	0.68	C1CC23C=CC(O)([H])C2(CCCC3)CC1
MCULE-8779705243	0.68	OC(C12CCCC1C2)CC1CCCC=1
MCULE-7341595899	0.68	C1(CO)(CO)CC=C(CC1C)CC/C=C(\C)/C
MCULE-3836274754	0.68	C12CC(C=C1)C(CO)(CO)C2
MCULE-2216758301	0.68	C1(C)(C)C2([H])C(O)C=C(C)C1(C2)[H]
MolPort-006-130-537	0.67	CCOC1(CCC(C)=CC1)C(C)C
MolPort-006-130-881	0.67	CCCCCC\C=C/CCCCCCCC(=O)OCC
MolPort-003-941-189	0.67	CC\C=C\C\C=C\C\C=C\CCCCCCCCCC(=O)OC
MolPort-001-788-276	0.67	CCCCCCCC\C=C/CCCCCCCC(=O)OCC
MolPort-003-941-323	0.67	CCCCC\C=C\C\C=C\CCCCCCCCCC(=O)OC
MolPort-003-937-572	0.67	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC
MolPort-003-937-816	0.67	CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC
MolPort-003-941-061	0.67	CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(=O)OC
MolPort-003-925-090	0.67	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC
MolPort-001-785-547	0.67	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC
MolPort-006-114-411	0.67	CCCCCC=CCC=CCCCCCCCC(=O)OC
MolPort-044-183-401	0.67	CC\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)OC
MolPort-046-762-523	0.67	CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-035-706-216	0.67	COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1
MolPort-035-706-317	0.67	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
MolPort-039-101-217	0.67	CC1CC\C=C(C)\CCC(\C=C\1)C(C)(C)O
MolPort-045-968-015	0.67	CC1CCCC(C)(CCC=C(C)C)O1
MCULE-2656404270	0.67	CC1OCCC(CC2CC=CC2)(O)C1
MolPort-046-594-334	0.67	CC1(CO)CC(O)CC2(C)C3CCC(C)(C=C3CCC12)C(O)CO
MCULE-5835460993	0.67	OC1(CCOCC1)CC1CC=CC1
MolPort-044-637-531	0.67	C\C1=C\CC\C(C)=C\CC(CC\C(C)=C/CC1)C(C)(C)O
MCULE-2463867587	0.67	C/C(/C)=C/CCC1C(O)CCOC1
MolPort-046-690-974	0.67	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC[C@@]21CO1
MCULE-2789783931	0.67	CC1OCCC(CC/C=C(\C)/C)(O)C1
MolPort-046-689-748	0.67	CC[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MCULE-4818641490	0.67	OC1C(CC2CC=CC2)COCC1
MolPort-029-943-149	0.67	CC1=CCC2C(C)(CO)CCCC2(CO)C1CO
MCULE-9463473752	0.67	C1C2OC2CCC=CC1
MolPort-020-005-644	0.67	C[C@@]1(CO)C[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3CC[C@H]12)[C@@H](O)CO
MCULE-4399438587	0.67	CCCCCC=CCC=CCCCCCCCC(=O)OC
MolPort-046-153-062	0.67	C\C1=C\CCC(=C)C(O)CC2(C)CCC(C2CC1)C(C)(C)O
MCULE-9535038485	0.67	C(CC(=O)OCC)CCCCC/C=C\CCCCCCCC
MolPort-039-338-445	0.67	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1
MCULE-2524148130	0.67	C(CCCC(=O)OC)CCCCCC=CCC=CCC=CCC
MolPort-039-339-170	0.67	C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1
MCULE-4173710741	0.67	CCOC1(C(C)C)CCC(C)=CC1
MolPort-035-706-292	0.67	CC[C@@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
MCULE-1089286417	0.67	C(/CCCCCCCC(OC)=O)=C/C/C=C\CCCCC
MolPort-039-339-018	0.67	C[C@H](CC[C@@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C
MCULE-9199968322	0.67	C(CCC(=O)OCC)CCCCCCCCC=CCCCCCCCC
MolPort-046-158-414	0.67	CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\CC(CO)C(=C)CCCC(C)CCCC(C)CCCC(C)C
MCULE-3486771028	0.67	C(CC(=O)OCC)CCCCCC=CCCCCCCCC
MolPort-028-754-123	0.67	CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
MCULE-8698326526	0.67	C(CCCCCCCCCC=CCC=CCCCCC)(=O)OC
MolPort-035-706-392	0.67	COC(=O)[C@@]12CCC3=C(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1CC(C)(C)CC2
MCULE-9968239395	0.67	CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC
MolPort-035-706-457	0.67	CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]32C)C1(C)C
MCULE-3753766880	0.67	C(CCCCCCCC=CCC=CCC=CCC)(OC)=O
MolPort-046-762-563	0.67	CC(=O)OC1(C)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@@H]3CC[C@]12C
MCULE-2327114638	0.67	OC1(C2CCCCCCC=2)COC1
MolPort-003-927-110	0.67	CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC
MCULE-3535257756	0.67	OC1(C2CCCCC=2)COC1
MolPort-023-279-066	0.67	COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
MCULE-5331897390	0.67	C12(C)CC=C3C4(C)CCC(O)CC4CCC3C1CC1OC(C3OCC(C)CC3)C(C)C21
MolPort-003-927-109	0.67	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC
MCULE-4894937500	0.67	[H]C12C=CCCC1(C)C1CC(C3(C)C(C(C)CCC(OC)=O)CCC3C1CC2)OC(C)=O
MolPort-002-498-111	0.67	CC1=CC(O)CC(C)(C)C1
MCULE-7442709707	0.67	C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1
MolPort-006-668-581	0.67	CC1(C)CCCC2(C)C(CO)C(CO)=CCC12
MCULE-9777116319	0.67	C1CC2(C(CCCC2)(CC=1)C(OC)=O)CCC(OC)=O
MolPort-006-185-012	0.67	C[C@@]12CC[C@@H]3[C@H](CCC4=CCCC[C@@H]34)[C@H]1CC[C@]2(O)C#C
MCULE-1911874268	0.67	C12CC(OCC=C)CCC1(C)C1CCC3(C)CCCC3C1CC=2
MolPort-003-959-981	0.67	CC(C)C1(O)CCC(C)=CC1
MCULE-6809736977	0.67	COC(C1C2C=CC(CC2)C1)=O
MolPort-006-069-078	0.67	C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MCULE-7665525246	0.67	C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(O)C21)[H]
MolPort-001-921-994	0.67	CC1CC2=C(CC1COC(C)=O)C(C)(C)CCC2
MCULE-9565601037	0.67	C12CC(OCCO)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
MolPort-003-939-461	0.67	CC(=O)OC(C)(C)C1CCC(C)=CC1
MCULE-7100298727	0.67	COC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MolPort-002-911-070	0.67	CC1C(OC2CC3C4CCC5CC(O)CCC5(C)C4=CCC3(C)C12)C1CCC(C)CO1
MCULE-3490442378	0.67	C1C[C@]2(C)CC[C@@H](C(C(=O)OC)=C)CC2=C(C)C1
MolPort-003-941-067	0.67	CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC
MCULE-4943208576	0.67	C1C[C@@]2([H])[C@]3([H])CC[C@@]4(C)[C@@](O)(C#C)CC[C@]4([H])[C@@]3([H])CCC2=CC1
MolPort-009-018-990	0.67	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC
MCULE-2280486224	0.67	C/C(/C)=C/CCC1C(O)CCC1
MolPort-009-756-326	0.67	CC(C)[C@@]1(O)CCC(C)=CC1
MCULE-7460548556	0.67	C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CC)CCC4C3CCC2(C1)[H]
MCULE-6145280739	0.67	OC1C(CC2CC=CC2)CCCCC1
MCULE-2778170549	0.67	O[C@]1(CC=C(C)CC1)C(C)C
MCULE-2204393281	0.67	C1C2CC2CCCC([H])(O)C=1
MCULE-9082814536	0.67	O[C@]1(C#C)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
MCULE-2525177975	0.67	C1=CC2C3C4C(C(CO)C13)C=CC4C2CO
MCULE-2141883609	0.67	NC1(CC=CCC1)CC1(COC1)CO
MCULE-5986847154	0.67	C1=C(C)CCC2C(C(O)(C)C)CCC2(C)CC(O)C(=C)CC1
MCULE-1190191150	0.67	OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
MCULE-9087411700	0.67	NC(CC1C2C=CC(CC2)C1)CO
MCULE-2026458872	0.67	C12(C)CC(CC(C)(CO)C1([H])CCC1=CC(C)(C(O)CO)CCC21[H])O
MCULE-4102226627	0.67	NCC(CC1C2C=CC(CC2)C1)O
MCULE-4979255634	0.67	C1C2C3C=CC3C(C(CO)C2CO)C=1
MCULE-5465935467	0.67	C12C(C)(C)CCCC=1CC(C)C(COC(C)=O)C2
MCULE-1506005197	0.67	[C@H]1(O)C[C@@]2(C)[C@]3([H])CC[C@@]([C@@H](O)CO)(C)C=C3CC[C@]2([H])[C@](C)(CO)C1
MCULE-7326334023	0.67	COCC(C1(CCC2(CC2)CC1)O)=C
MCULE-4461071719	0.67	OC1(C2CCOCC2)C2C=CC(C2)C1
MCULE-6877075574	0.67	CC1(CC(O)CC1)CC1CC=CC1
MCULE-7149903922	0.67	C1CC2(C)CC3(OCCO3)CC2(C)CC=1
MCULE-8353036539	0.67	C1CC2([H])CC3(OCCO3)CC2([H])CC=1
MCULE-9912389313	0.67	C1CC2(CO)C(CO)C(C)=CCC2C(CO)(C)C1
MCULE-5225374056	0.67	CC(C(CC1C2C=CC(CC2)C1)=O)O
MCULE-1401500807	0.67	O=C1C(CC2CC=CCC2)COCC1
MCULE-6716714175	0.67	C1CC(C)=CCC1C(C)(C)OC(=O)C
MCULE-9051465595	0.67	C1(C2C=CC(C34C=CC23CC=CC4)C1CO)CO
MCULE-2402052397	0.67	C/C(/C)=C/CCC1C(O)CCCCC1
MCULE-1721479473	0.67	C1C(C)=CCC(C(O)(C)C)CCC(C)=CCCC(C)=CC1
MCULE-7295433126	0.67	O1C(C)CCCC1(C)CC/C=C(\C)/C
MCULE-6625698081	0.67	CC1C(CC2CC=CC2)CCC1O
MCULE-2546809155	0.67	CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
MCULE-4292259193	0.67	[C@@]12([H])CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
MCULE-1888127311	0.67	COC1CC(C2(CC=CC2)N)CCC1
MCULE-2042059061	0.67	CC=C(C(CCCCCC)O)C
MCULE-5366126831	0.67	NC1(CCOCC1)CC1CC=CCC1
MCULE-8156503872	0.67	OC[C@](O)([C@]1(CC[C@@]2(C(CC[C@]3([C@]2(C[C@@](C[C@]3(CO)C)(O)[H])C)[H])=C1)[H])C)[H]
MCULE-7115760688	0.67	OC(C1C2(CC2)C1)CC1CCCC=1
MCULE-7610155056	0.67	C1CC2(C)C(CO)C(CO)=CCC2C(C)(C)C1
MCULE-6511194668	0.67	C1(O)(C(C)C)CCC(=CC1)C
MCULE-5002847328	0.67	[H]C12CCCC=C1CCC1C3CCC(O)(C3(C)CCC21)C#C
MCULE-2316234334	0.67	C1C=C(C)CCC(C(O)(C)C)C=CC(C)C1
MCULE-5898882618	0.67	C/C(/C)=C/CCC1(C(O)(C)CCC1)C
MCULE-3792827064	0.67	C12C=CCC1C1CC2C(OCCOC2CC3CC2C2C=CCC23)C1
MCULE-5803228201	0.67	[C@@H]1(O)C(C2[C@@]([H])(CC1)[C@@]1(C)[C@]([H])([C@]3([C@@](C[C@H]1O)(C)[C@@H]([C@H](C)CC[C@@H](O)C(O)(C)C)CC3)C)CC=2)(C)C
MCULE-3450777603	0.66	O[C@@H]1C(C)(C)[C@@]2([H])[C@@](C)([C@]3([H])[C@@](C)(CC2)[C@]2(C)[C@@]([H])([C@@H]([C@](CC/C=C(/C)\C)(C)O)CC2)[C@H](O)C3)CC1
MCULE-8309101837	0.66	C/C(/C)=C/C1(CC2CC(CC2)C1)O
MCULE-2124537298	0.66	C/C(/C)=C/CCC1(C2C(C2)CCC1)O
MCULE-1572938680	0.66	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-5296220089	0.66	C/C(/C)=C/C(C12CCCC1C2)O
MolPort-035-784-535	0.66	CCOC(=O)[C@@H]1[C@H]2CC\C=C/CC[C@@H]12
MolPort-038-948-537	0.66	CCCCC=C1CCC(CC(O)=O)CC1
MolPort-039-339-184	0.66	C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
MolPort-039-337-800	0.66	CC\C=C\CC1C(CC(=O)OC)CCC1=O
MolPort-046-590-621	0.66	CCOC(=O)[C@H]1[C@H]2CC\C=C/CC[C@@H]12
MolPort-039-052-567	0.66	C[C@@H](CC(=O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-046-591-674	0.66	CCOC(=O)C1C2CC\C=C/CCC12
MolPort-046-688-689	0.66	CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-426	0.66	C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-046-158-388	0.66	C[C@@H](C[C@@H](O)C1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-042-675-300	0.66	C[C@@H](CCC=C(C)C)[C@H]1C[C@@H](O)C(C)=C[C@@H]1O
MolPort-038-948-469	0.66	CCC=CC1CCC(CC1)C(O)=O
MolPort-023-220-754	0.66	CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C
MolPort-044-723-220	0.66	CC(C)[C@H]1C[C@H](O)C(C)=C[C@@H]1O
MolPort-039-338-279	0.66	C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)[C@@H](O)CC[C@@]44C[C@@]34CC[C@]12C
MolPort-046-761-778	0.66	CC(C)=CCCC(C)(O)[C@H]1CC[C@]2(C)C1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-027-835-420	0.66	CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-020-005-760	0.66	CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O)C[C@@]21C
MolPort-039-338-521	0.66	COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-020-173-956	0.66	OCC1=CCCCC1
MolPort-029-945-682	0.66	CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-046-693-376	0.66	CC(C)=CCCC(C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-020-005-763	0.66	CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-046-423-229	0.66	CC(C)=CCCC(C)(O)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)C3[C@@H](O)C[C@@]21C
MolPort-044-649-737	0.66	COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-044-755-199	0.66	CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-527-896	0.66	C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CC[C@@]21CCO1
MolPort-006-148-399	0.66	CC(C)(O)C1CCC(CO)=CC1
MolPort-002-510-446	0.66	CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)CC1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-003-388-175	0.66	CC(C)=C1CC2C3CCC4CCCCC4(C)C3CCC2(C)C1O
MolPort-003-665-516	0.66	CC(=C)C1CCC(CO)=CC1
MolPort-003-927-779	0.66	CC(=C)[C@H]1CCC(CO)=CC1
MolPort-003-800-414	0.66	C[C@@]1(O)CC2C3CC(C=C3)C2[C@@H]1O
MolPort-001-913-566	0.66	CC(C)(C)C1=CC(CO)CC(CO)C1
MolPort-006-109-342	0.66	CC\C=C/C[C@@H]1[C@@H](CC(=O)OC)CCC1=O
MolPort-008-346-698	0.66	CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)C1CC3
MolPort-002-515-580	0.66	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCO1
MCULE-4937005028	0.66	[C@]12(C)CCC3C(CCC4=CC(=O)CCC43)C1CC[C@]12CCO1
MCULE-5486393555	0.66	C(OC)(C1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-6077958460	0.66	C(OC)(CC1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-2664519273	0.66	O=C1C(CC2C3C=CC(CC3)C2)COC1
MCULE-6259050360	0.66	[C@@]12(C)CCC(C(C)CCC(O)=O)[C@@]1(C)CCC1[C@@]3(C(C(C)(C)C(CC3)OC(C)=O)CCC2=1)C
MCULE-5177446419	0.66	C(C)(=O)OC1CCC2(C)C(C1)(CCC1=C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(O)C21)[H]
MCULE-3465723245	0.66	[C@@H]1(CCC(=O)[C@@H]1CC=CCC)CC(=O)OC
MCULE-8027181171	0.66	C(N)(OCCCCCCCCC=CCCCCCCCC)=O
MCULE-3416394321	0.66	OC1C=C(CCC2OCCCC2)CC1
MCULE-7481987318	0.66	OC1(C2CCCCCC=2)COC1
MCULE-9190698368	0.66	O=C(CC1CCC(=O)C1CC=CCC)OC
MCULE-6491026495	0.66	COC1C(C(C2CCCCC=2)O)C1
MCULE-9576830729	0.66	CC1C(CC2CC=CC2)(CO)CCO1
MCULE-5246715721	0.66	OCC1(COCCC1)CC1CC=CC1
MCULE-4832560741	0.66	C(C)=CCCCCCCCCOC(=O)C
MCULE-4139080485	0.66	CC1C(CC2CC=CC2)(O)CCOC1
MCULE-9102303739	0.66	C12C3CC(C=C3)C1[C@@H]([C@](C)(O)C2)O
MCULE-6718216216	0.66	CC1CC(CC/C=C(\C)/C)=CC(O)C1
MCULE-3659196019	0.66	C1CC23CC=CCC2(C(O)C(O)C3)CC=1
MCULE-9232962439	0.66	C1(CC(CO)CC(CO)C=1)C(C)(C)C
MCULE-9014720947	0.66	OC(C12CCCCC1C2)C1CCCC=1
MCULE-9641907119	0.66	C12C(C)(O)C=CC(C1)CC2
MCULE-3997698187	0.66	C1C[C@]23C[C@@]42CC[C@]2(C)[C@@]([H])([C@@H](C/C=C/C(O)(C)C)C)CC[C@@]2(C)[C@]4([H])CC[C@@]3([H])[C@H](C)[C@H]1O
MCULE-9379929413	0.66	C1(O)CC2(C)CC2(C)C=C1
MCULE-8676658606	0.66	C1(O)CC2CC2C=C1
MCULE-1420218917	0.66	C(C)(=C)C1CCC(CO)=CC1
MCULE-6022003482	0.66	[C@@H]1(O)C(C)=C[C@H](O)[C@@H](C(C)C)C1
MCULE-6754513691	0.66	[C@]1([H])([C@@H](C)CC/C=C(\C)/C)[C@@H](O)C=C(C)[C@H](O)C1
MCULE-1943700997	0.66	OC(C12CCCC1C2)C1CCCC=1
MCULE-4985122843	0.66	C1C([H])(C)C([H])(CO)C([H])(CO)C([H])(C)C=1
MCULE-5591347023	0.66	OC1(C2C(C2)CC1)CC1CC=CC1
MCULE-1361042454	0.66	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-2585598299	0.66	C/C(=C/CCC(C1C2C(CC3C(C)(C2(C)CC1)CCC1C3(CCC(C1(C)C)O)C)O)(O)C)/C
MCULE-4233503518	0.66	OC1(C2C(C2)CCC1)CC1CC=CC1
MCULE-9020191331	0.66	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-2871959103	0.66	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-5147208258	0.66	C/C(/C)=C/C(C1CC2C(C2)CC1)O
MCULE-6646668513	0.66	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-7835659960	0.66	C/C(/C)=C/CCC1(C2C(C2)CC1)O
MCULE-4732733810	0.66	C1[C@@]2(C)[C@@]([H])([C@@H](O)C[C@]3(C)[C@]2([H])C[C@@H](O)[C@@]2([H])[C@@]3(C)CC[C@@H]2[C@](O)(CC/C=C(\C)/C)C)C(C)(C)[C@@H](O)C1
MCULE-2844730204	0.66	C12(C)CCC3C(CCC4CCCCC34C)C1C/C(=C(/C)\C)/C2O
MCULE-2613547392	0.66	C/C(/C)=C/C(C12CCCCC1C2)O
MCULE-6548923859	0.66	[C@@]12(C)CC[C@@]3([H])C(C)(C)[C@H](CC[C@]3(C)[C@@]1([H])C[C@@H](O)[C@]1([C@@]2(C)CC[C@]1([H])[C@](C)(O)CC/C=C(/C)\C)[H])O
MCULE-9929984425	0.66	OCC1(C2C3CC(CC3)C2)CC=CC1
MolPort-020-180-334	0.65	CCCC1OCC2C(C)C=C(C)C1C2C
MolPort-002-510-887	0.65	CC1C[C@]2(CCC=C(C)C)CCC1(CO)CO2
MolPort-009-018-933	0.65	CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC
MolPort-006-069-379	0.65	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
MolPort-016-633-342	0.65	C[C@@H]1C[C@H](C2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MCULE-3474012481	0.65	NC1(C2CCOCC2)CC=CCC1
MolPort-001-921-995	0.65	CC(=O)OC1CCCCC1C1=CCCCC1
MCULE-3213917419	0.65	C(C)(=O)OC1CCC2(C)C(C1)(CC1C3(C4CCC(C(C)C=CC(C)C(C)C)C4(C)CCC23)O1)[H]
MolPort-001-933-970	0.65	C=CC1OC2CCCCC2C2=CCCCC12
MCULE-2306367523	0.65	C12CC(CC1OC(CC)=O)C1C=CCC21
MolPort-002-511-418	0.65	CC(=C)[C@H]1OC2CCCCC2C2=CCCC[C@@H]12
MCULE-3871864328	0.65	O1C(C)(C)C2CC=C(C)C(C2)C1C(C)C
MolPort-006-110-824	0.65	COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
MCULE-1184165301	0.65	C12CC(CC=C1C)COC2C1CCC(=CC1)C
MolPort-001-569-826	0.65	CO[C@H]1C=C2C(CC[C@@H]3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
MCULE-3728655247	0.65	O=CC1(COCCC1)CC1CC=CCC1
MolPort-002-509-604	0.65	CO[C@H]1C=C2C(CCC3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
MCULE-8850033734	0.65	CC(OCC1(C2C=CC(C2)C1)O)C
MolPort-001-791-415	0.65	OCC1CCC=CC1
MCULE-9828521938	0.65	C1C2C(C)(C)C1C(CCOCC(=C)C)=CC2
MolPort-001-791-423	0.65	CC1CC=CCC1CO
MCULE-6127095715	0.65	C1(C)=CC(C)C2C(C)C1C(CCC)OC2
MolPort-001-742-383	0.65	C\C(CCC(O)C(C)(C)O)=C/CCC(C)(O)C=C
MCULE-7860884682	0.65	COCC(C1(C2C=CC(C2)C1)O)=C
MolPort-006-668-567	0.65	CC(C)(O)C(O)CCC(CO)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(O)C(O)C(C)(C)C1CC3
MCULE-5173677772	0.65	[C@@H]12C[C@@H](CC1OC(CC)=O)[C@]1([H])C=CC[C@]21[H]
MolPort-016-633-333	0.65	CC1(C)C[C@H](C2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MCULE-8218822760	0.65	C12CC(C3CC=CC13)CC2OC(C)=O
MolPort-002-800-509	0.65	CC(C)(C)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
MCULE-2187659696	0.65	O=CC1(COCC1)CC1CC=CCC1
MCULE-2408667521	0.65	C1=CC2C3(COCCC3=C)C1CC2
MCULE-5981693854	0.65	O1C(C)C2C(C)=CCC(C2)C1(C)C
MCULE-6446988149	0.65	NCC1(COCC1)CC1CC=CCC1
MCULE-6196184522	0.65	CCOCC1(C2C=CC(C2)C1)O
MCULE-5878030381	0.65	C12CC(COC1C(C)C)C(C=C2C)C
MCULE-1242307510	0.65	COC1C(C2(CC=CC2)N)CCCC1
MCULE-9329009648	0.65	C12(CO)CCC(CC1C)(OC2)CC/C=C(\C)/C
MCULE-1283574747	0.65	C[C@@]12CC[C@@]3([H])[C@@]([C@H](O)CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@@]21C)(C)C(=O)O
MCULE-9341616847	0.65	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-5025931577	0.65	C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
MCULE-5384515579	0.65	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O
MCULE-8629297693	0.65	C1C[C@@]2(C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@](C)([C@@H]1O)C(O)=O)C)C
MCULE-5994930115	0.65	NOCC1C2C=CC(CC2)C1
MCULE-7081887871	0.65	[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](/C(/C)=C/CO)CC3)CC=2
MCULE-5501982482	0.65	[H]C12C3(C)CCC(O)CC3(O)CC=C1C1CCC(C(C)C=CC(C)C(C)C)C1(C)CC2
MCULE-8056155072	0.65	C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O
MCULE-5327458615	0.65	CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
MCULE-4282189276	0.65	C1(O)CC2(C)C3CC(O)C4(C)C(C(CCC(O)C(O)(C)C)CO)CCC4(C)C=3CCC2C(C)(C)C1O
MCULE-3664047551	0.65	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-5113003290	0.65	OC(C1CC2CC(CC=C2)C1)=O
MCULE-6129970627	0.65	C12C3C(C)C(C)C4C56CC(O)C=CC35C6C1C24
MCULE-1585900757	0.65	C/C(/C)=C/CCC1(CCOCC1)O
MCULE-4504483614	0.65	C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
MCULE-7147126046	0.65	C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
MCULE-3250846744	0.65	CC1CC(C(C2CCCC=2)O)C1
MCULE-9145826081	0.65	C1=CC2CC(O)C3C(C)(O)CC1C23
MCULE-3107036474	0.65	C1(O)C2C(O)CC3C2C(C=C3)C1
MCULE-1784949358	0.65	OC(C1CCCC=1)C1C(C2CC2)C1
MCULE-6877512765	0.65	C12CC1C=CC([H])(O)C1CC12
MCULE-2266413616	0.65	C1CC(O)C2(C)CC2C(C(CC=C1C)(CO)C)O
MCULE-2021729654	0.65	OC1C(O)CC2=C(CCCC2)C1
MCULE-3092137801	0.65	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
MCULE-3195811210	0.65	OC1(C=CCCC1)CC1CC=CC1
MCULE-2581880996	0.65	C(C)(C)(O)C(O)CC/C(/C)=C/CCC(C)(O)C=C
MCULE-6275089676	0.65	CC(C1C(C(C2CCCC=2)O)C1)(C)C
MCULE-4366033227	0.65	COCC(C1(CC2CC(CC2)C1)O)=C
MCULE-6995939226	0.65	CC1CC(C(C2CCCCCC=2)O)C1
MCULE-1119605098	0.65	OC(C1CCCC=1)C1CC2(CCC2)C1
MCULE-3287434696	0.65	C/C(/C)=C/CCC1(C(C)(C)CCC1)O
MCULE-1413268524	0.65	CC1C(CC2CC=CC2)(O)CCC1
MCULE-5586241876	0.65	C/C(/C)=C/C(C1C(C2CC2)C1)O
MCULE-5407375446	0.65	CC(C1CCCC1)(CC1CC=CC1)O
MCULE-9714691739	0.65	CC1C(/C=C(\C)/C)(O)CCCCC1
MCULE-9313043371	0.65	CCC1CC(CC2CC=CC2)(O)CC1
MCULE-3959532000	0.65	C/C(/C)=C/CCC1(CCCCCC1)O
MCULE-7265382444	0.65	CCC1C(CC2CC=CC2)(O)CCC1
MCULE-9366421620	0.65	CCC1C(/C=C(\C)/C)(O)CCCCC1
MCULE-9570282750	0.65	C/C(/C)=C/C(C1C(C(C)(C)C)C1)O
MCULE-7634836202	0.65	CC1C(CC/C=C(\C)/C)(O)CCC1
MCULE-4794081286	0.65	OC1(CCCCCC1)CC1CC=CC1
MCULE-2839347602	0.65	CC(C1CCC1)C(/C=C(\C)/C)O
MCULE-1706558387	0.65	CC1(C(CC2CC=CC2)(O)CCC1)C
MCULE-7312598347	0.65	C/C(/C)=C/C(CC1CCCC1)(O)C
MCULE-9048517900	0.65	C1C=CCC(CO)(C)C1
MCULE-7561786019	0.65	CC1C(C(CC2CC=CC2)O)CCC1
MCULE-7843809650	0.65	OCC1CC=CCC1
MCULE-9057383269	0.65	CC(C(CC1CC=CC1)O)(O)C
MCULE-7534551137	0.65	CC1C(CO)CC=CC1
MCULE-7796031571	0.65	C1(CCCCC1C1CCCCC=1)OC(C)=O
MCULE-2883797701	0.65	C1(CC2C3=CCC4C5(C(CCC4(C)C3(C)CCC2(C(=O)O)CC1)C(CO)(C)C(O)C(O)C5)C)(C(=O)OC)C
MCULE-6666584909	0.65	BrC1C(CC2C3C=CC(CC3)C2)COC1
MCULE-9253743476	0.65	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-8281910907	0.65	ClC1C(CC2C3C=CC(CC3)C2)COC1
MCULE-5544927487	0.65	[C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@](C)(C(OC)=O)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-4633610104	0.65	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-5485844450	0.65	C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1OC(=O)C
MCULE-2519092915	0.65	C1CCC2(C)C3CCC(C(C)C)=CC3=CCC2C1(C(=O)OC)C
MCULE-5549887798	0.65	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-2001489608	0.65	C12=CCCCC1C(OC1CCCCC21)C=C
MCULE-1695863761	0.65	C12C(CCC3([H])CC(O)CCC13C)C1CCC(C(C)CCC(OC)=O)C1(C(OC)C=2)C
MCULE-7493190737	0.65	C1CCC2CCC3CCCC4C3=C2C1CC4
MCULE-2562452387	0.65	[H]C12C(C)(C)C=CCC1(C)C1CC=C3C4(CC(C)(C)CCC4(C)CCC3(C)C1(C)CC2)[H]
MolPort-038-941-702	0.65	C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
MolPort-046-761-446	0.65	[2H]C([2H])([2H])C1([C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@]2(C)[C@H](CC=C12)[C@H](C)CCC=C(C)C)C([2H])([2H])[2H]
MolPort-038-386-024	0.65	CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
MolPort-039-338-737	0.65	CC(C)=CCC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
MolPort-039-338-325	0.65	C[C@H]1[C@@H](CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
MolPort-028-754-126	0.65	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-046-418-007	0.65	C\C(=C/CO)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-038-386-525	0.65	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
MolPort-046-141-505	0.65	OC(=O)C1CC2CC=CC(C2)C1
MolPort-035-706-393	0.65	COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-042-675-426	0.65	COC(=O)C(C)(C)C1CC[C@]2(C)C(CC=C3[C@@H]4[C@](C)(O)[C@H](C)CC[C@@]4(CC[C@@]23C)C(O)=O)[C@@]1(C)CC(O)=O
MolPort-046-766-186	0.65	C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)CC[C@]34C)[C@@H]1CC[C@]21CCC(O)O1
MolPort-035-706-385	0.65	CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(CO)CC[C@@]32C)C1(C)C
MolPort-044-637-547	0.65	COC1C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CCC3[C@](C)(CC[C@@H](O)[C@]3(C)C(O)=O)C12
MolPort-039-339-016	0.65	CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-044-649-713	0.65	COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C\C(=C\O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-044-637-463	0.65	CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O
MolPort-035-706-537	0.65	CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C(=O)C1
MolPort-035-706-195	0.65	C[C@@H]1C[C@H](O)[C@@H]2[C@H](C3=C(C)CC[C@H]13)C2(C)C
MolPort-046-697-369	0.65	C\C1=C\CC(C)(CO)C(O)C2CC2(C)C(O)CC1
MolPort-046-792-998	0.65	CC(CCC=C(C)C)C1(O)CCC(C)=CC1
MolPort-035-706-320	0.65	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC(O)C(C)(C)O
MolPort-046-683-754	0.65	C[C@H](CCC=C(C)C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
MolPort-046-594-431	0.65	CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
MolPort-035-706-538	0.65	CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-006-122-262	0.65	CCC(=O)OC1CC2CC1C1CC=CC21
MolPort-044-183-215	0.65	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)OC
MolPort-046-067-700	0.65	CC1CC(C)=CC(C)C11COCOC1
MolPort-002-507-829	0.65	CCC(=O)OC1C[C@@H]2C[C@H]1[C@H]1CC=C[C@@H]21
MolPort-002-511-699	0.65	CC1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
MolPort-002-511-717	0.65	CC1C=C(C)[C@H]2C(C)[C@@H]1COC2C1CCC(C)=CC1
MolPort-000-724-481	0.65	CC1=CCC(CC1)C1OCC2CC=C(C)C1C2
MolPort-002-512-730	0.65	CCCC1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
MolPort-001-942-593	0.65	CC1CC2(CCC=C(C)C)CCC1(CO)CO2
MolPort-002-530-380	0.65	CC(C)C1OC[C@H]2C[C@@H]1C(C)=CC2C
MolPort-002-511-551	0.65	CC1=CCC(CC1)C1OC[C@@H]2CC=C(C)[C@H]1C2
MolPort-001-942-591	0.65	CC(C)C1OC(C)(C)C2CC=C(C)C1C2
MolPort-002-529-126	0.65	CCC(=O)OC1C[C@@H]2C[C@H]1C1CC=CC21
MolPort-003-925-045	0.65	CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC
MolPort-001-921-991	0.65	CC1OC(C)(C)C2CC=C(C)C1C2
MolPort-000-717-560	0.65	CC(C)C1OCC2CC1C(C)=CC2C
MolPort-005-909-533	0.65	CC1CC2=C(CC11COCOC1)C(C)(C)CCC2
MolPort-002-511-480	0.65	CC(C)C1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
MolPort-008-346-783	0.65	CCCC1OC[C@H]2C(C)C=C(C)C1C2C
MolPort-000-703-223	0.65	CCCCCC1OCC2(CC)C(C)C1C(C)C=C2C
MolPort-006-069-138	0.65	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
MolPort-000-744-998	0.65	CC1C=C(C)C2C(C)C1COC2C1CCC(C)=CC1
MolPort-002-886-211	0.65	CC(=O)OC1CC2CC1C1C=CCC21
MolPort-002-508-718	0.65	CC1CC(C)=CCC1C1OC[C@@H]2CC1C(C)=CC2C
MolPort-002-509-403	0.65	CC(C)C1OC[C@@H]2CC=C(C)[C@H]1C2
MolPort-035-706-273	0.64	CC(C)=C[C@H]1CC[C@]2(C)[C@@H]1[C@@](C)(O)CC[C@H]2O
MolPort-046-790-567	0.64	CC1=C(C)C(O)CCC1
MolPort-003-939-581	0.64	CC1CCC2(O1)C(C)=CCCC2(C)C
MolPort-002-511-376	0.64	CC1CC(CCC=C(C)C)=CCC1COC(C)=O
MolPort-001-740-292	0.64	C\C(CC[C@@H]1[C@@](C)(O)CCC2C(C)(C)CCC[C@@]12C)=C\CO
MolPort-001-740-290	0.64	C\C(CC[C@@H]1[C@@](C)(O)CCC2C(C)(CO)CCC[C@@]12C)=C\CO
MolPort-002-508-554	0.64	C\C(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)=C\CO
MolPort-002-559-417	0.64	CCCCOC(C(C)C)C1=CCCCC1
MolPort-001-793-688	0.64	CC1=CC(O)CCC1
MolPort-002-510-226	0.64	CC1OCC(C)(C)CC1C(=C)CCC=C(C)C
MolPort-001-917-577	0.64	C1OCC2\C=C\CCCCCCCCC12
MolPort-039-052-574	0.64	CC(C)=CCCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-019-936-820	0.64	COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CCC1=CC(=O)[C@@H](C1)CCC2=O
MolPort-046-067-692	0.64	CC1C=C(C)C2[C@H](C)C1COC21CCCC1
MolPort-023-299-064	0.64	C\C(CC[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C)=C/CO
MolPort-000-744-313	0.64	CC1C=C(C)C2C(C)C1COC21CCCC1
MolPort-035-784-243	0.64	COC1CCCC=C1
MolPort-028-746-698	0.64	C1COC2(C1)CCC=CC2
MCULE-3872989644	0.64	C1(CCCCC=1)C(OCCCC)C(C)C
MCULE-9283085637	0.64	O1CC2C(C1)C=CCCCCCCCC2
MCULE-2790120205	0.64	O1C2(CCC=CC2)CCC1
MCULE-2035585386	0.64	COC1C(C(C2CCCCCC=2)O)C1
MCULE-7242162214	0.64	OC1(COCC1)CC1CC=CC1
MCULE-1419998602	0.64	OC(C1COCCC1)CC1CC=CC1
MCULE-9989830088	0.64	CC1(OCC(CC2CC=CC2)(O)C1)C
MCULE-8131161438	0.64	OC(C1COCC1)CC1CC=CC1
MCULE-6230588507	0.64	C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2(O)CC#N)C)O
MCULE-8696910032	0.64	CC1OCC(CC2CC=CC2)(O)C1
MCULE-8588952182	0.64	O1C2CCC=CCCC=CCCC12
MCULE-6972738281	0.64	CC1C(C(CC2CC=CC2)O)CCO1
MCULE-6438933973	0.64	CC(C(CC1CC=CCC1)=O)(O)C
MCULE-7237464277	0.64	CCCCC1(C2C=CC(C2)C1)O
MCULE-6935719222	0.64	OC(C1C(CC2CC=CCC2)CCC1)=O
MCULE-7417377682	0.64	OC(C1(CC1)CC1CC=CCC1)=O
MCULE-1392126977	0.64	CCC(CC1(C2C=CC(C2)C1)O)C
MCULE-2200261924	0.64	CCCC(C1(C2C=CC(C2)C1)O)C
MCULE-8197081732	0.64	CC(CCC1(C2C=CC(C2)C1)O)C
MCULE-1143033410	0.64	OC1(C2C=CC(C2)C1)CC1CC=CC1
MCULE-1091799520	0.64	OC1([C@@H]2C=C[C@@H](C2)C1)CC1CC=CC1
MCULE-2654426987	0.64	OC1(C2C=CC(C2)C1)CC1CCCC1
MCULE-5616063933	0.64	CC(CCC1(C2C=CC(C2)C1)O)(C)C
MCULE-7216680812	0.64	CC(CC(C1(C2C=CC(C2)C1)O)C)C
MCULE-5859140606	0.64	CC1CC(C(O)=O)(CC2CC=CCC2)C1
MCULE-8668421078	0.64	C/C(/C)=C/CCC1([C@@H]2C=C[C@@H](C2)C1)O
MCULE-7270634760	0.64	OC(C1C(CC2CC=CCC2)CC1)=O
MCULE-9167476740	0.64	C/C(/C)=C/CCC1(C2C=CC(C2)C1)O
MCULE-3060260292	0.64	CC(C1(C2C=CC(C2)C1)O)C
MCULE-7471433700	0.64	CC(C(CC1CC=CCC1)O)(N)C
MCULE-5943346302	0.64	CCCC1(C2C=CC(C2)C1)O
MCULE-9092899526	0.64	CC(C(C1(C2C=CC(C2)C1)O)C)C
MCULE-6447505818	0.64	CCC(C(C1(C2C=CC(C2)C1)O)C)C
MCULE-4692829014	0.64	C1CCC=CC1OC
MCULE-1617847451	0.64	CCC1(C2C=CC(C2)C1)O
MCULE-1528374574	0.64	OC(C1(CCC1)CC1CC=CCC1)=O
MCULE-3872755173	0.64	OC1(C2C=CC(C2)C1)CCC=C
MCULE-2244025879	0.64	CCC(C1(C2C=CC(C2)C1)O)CC
MCULE-8078256499	0.64	OC1(C2CCCC2)C2C=CC(C2)C1
MCULE-6358122731	0.64	CC(CC1(C2C=CC(C2)C1)O)C
MCULE-3563281112	0.64	CCC(C1(C2C=CC(C2)C1)O)C
MCULE-2519662703	0.64	CC(C1(C2C=CC(C2)C1)O)(C)C
MCULE-8427887334	0.64	COCC(C1(C(C)CCCCC1)O)=C
MCULE-3817844296	0.64	OC/C=C(\C)/CC[C@@H]1[C@]2(C)[C@H](C(C)(C)CCC2)CC[C@@]1(C)O
MCULE-9669832293	0.64	[C@@]1(C)([C@H](O)C/C=C(\C)/C)C2CCC(C2)[C@@]1(C)O
MCULE-1585616264	0.64	C1[C@@H](O)[C@]2(C)CC[C@]([H])(/C=C(/C)\C)[C@@]2([H])[C@](O)(C)C1
MCULE-2105516503	0.64	CCOC1CCC(=C)CC1
MCULE-7840184850	0.64	CC1C(C(CC2CC=CCC2)=O)CCO1
MCULE-5462014053	0.64	C1(C)=CC(C)C2C(C)C1C1(CCCC1)OC2
MCULE-9612148440	0.64	O=C1C(CC2CC=CCC2)COC1
MCULE-5302779679	0.64	CC1OCC(C(CC2CC=CCC2)=O)C1
MCULE-7641008425	0.64	CC1C(CC2CC=CCC2)C(=O)CO1
MCULE-5666528674	0.64	NC1C(CC2CC=CCC2)COC1
MCULE-5136343943	0.64	NC(C1COCC1)CC1CC=CCC1
MCULE-1531956184	0.64	C12C[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2
MCULE-2841725041	0.64	O=C(C1C2C1COC2)CC1CC=CCC1
MCULE-5409023254	0.64	NC1(COCC1)CC1CC=CCC1
MCULE-6799150619	0.64	C1(CC/C=C(/C)\C)CC(C)C(CC=1)COC(C)=O
MCULE-3633249572	0.64	C1CC23CC(C(OC)=O)C(=O)C2(CC=CC3)CC=1
MCULE-8917149750	0.64	CC1(C2(OC(C)CC2)C(C)=CCC1)C
MCULE-4311460031	0.64	CC(C(CC1CC=CC1)O)C
MCULE-5058412241	0.64	CC(C(CC1CC=CC1)(O)C)(C)C
MCULE-4520792651	0.64	CC(C(CC1CC=CC1)O)(C)C
MCULE-9429842212	0.64	COC1C(C2(CC=CC2)CCl)CCCC1
MCULE-9007687395	0.64	COC1C(C2(CC=CC2)CBr)CCCC1
MolPort-001-742-404	0.63	C[C@@]1(CCC2C(CCC3C2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
MolPort-006-112-294	0.63	CCCCCC\C=C\CCCCCCCCCC(O)=O
MolPort-006-130-833	0.63	COC(=O)C1(C)CCC(C)=CC1
MolPort-003-959-446	0.63	CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC
MolPort-002-801-701	0.63	COC(=O)C1C(=O)C(C(=O)OC)C23CC\C=C/CCC12C(C(=O)OC)C(=O)C3C(=O)OC
MolPort-006-124-971	0.63	CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)CCCC
MolPort-002-537-872	0.63	CC1=CCC2(CC1)COCOC2
MolPort-001-783-805	0.63	CCCCCCCC\C=C/CCCCCCCC(=O)OCCCC
MolPort-006-127-334	0.63	CCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
MolPort-006-115-611	0.63	CCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
MolPort-006-712-929	0.63	COC(=O)C1CCC(C)=CC1
MolPort-002-498-934	0.63	OCC1(CO)CCC=CC1
MolPort-003-939-503	0.63	CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O
MolPort-006-169-894	0.63	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-941-268	0.63	CCCCCC\C=C/CCCCCCCCCCCC(O)=O
MolPort-001-815-959	0.63	CC(CCOC(C)=O)CCC=C(C)C
MolPort-009-019-050	0.63	CCCCCCCC\C=C/CCCCCC(O)=O
MolPort-001-780-043	0.63	CCCCCCCC\C=C\CCCCCCCCCCCC(O)=O
MolPort-003-933-468	0.63	CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O
MolPort-003-933-186	0.63	CCCCCCCC\C=C/CCCCCCCCCC(O)=O
MolPort-001-788-274	0.63	CCCCCCCC\C=C/CCCCCCCC(O)=O
MolPort-009-019-440	0.63	CCCCC\C=C/CCCC\C=C/CCCCCCC(O)=O
MolPort-003-941-733	0.63	CCCCCC\C=C/CCCCCCCCC(O)=O
MolPort-003-958-711	0.63	CCCC\C=C/CCCCCCCC(O)=O
MolPort-003-959-025	0.63	CCCCCCCC\C=C/CCCCCCCCC(O)=O
MolPort-003-925-831	0.63	CCCCCCCC\C=C\CCCCCCCCCC(O)=O
MolPort-039-337-113	0.63	C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CC\C(C)=C\CO
MolPort-009-019-234	0.63	CCCCC\C=C/CCCCCCCCCCCCC(O)=O
MolPort-003-959-363	0.63	CCCCCCCCCCC\C=C/CCCCC(O)=O
MolPort-003-959-881	0.63	CCCCCC\C=C/CCCCCCCCCC(O)=O
MolPort-003-958-761	0.63	CCCC\C=C\CCCCCCCC(O)=O
MolPort-006-169-615	0.63	CCCCCC\C=C\CCCCCCCC(O)=O
MolPort-000-882-023	0.63	CCCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-001-739-604	0.63	CC(C)CCCCCC\C=C/CCCCC(O)=O
MolPort-003-849-687	0.63	CCCCCCCCC=CCCCCCCCC(O)=O
MolPort-002-513-811	0.63	COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC[C@]13C=C(C(C)C)C(CC21)C1C3C(=O)C=CC1=O
MolPort-002-510-459	0.63	CCOC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-509-430	0.63	CCOC(=O)CC[C@H](C)[C@@H]1CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-841-866	0.63	CC(=O)OC1CCC2C3C=CC4C(C)(C)C(=O)CCC4(C)C3CCC12C
MolPort-008-427-020	0.63	CC1(CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1)C=C
MolPort-006-668-475	0.63	CC1(CCC2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
MolPort-003-873-328	0.63	C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
MolPort-006-394-340	0.63	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-002-513-643	0.63	CC(=O)OC1CCC2C(=CCC3[C@@]2(C)CC[C@@]2(C)C4CC(C)(C)CC[C@]4(C)CC[C@]32C)C1(C)C
MolPort-001-740-137	0.63	CCCCCC\C=C/CCCCCCCC(O)=O
MolPort-044-637-461	0.63	CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
MolPort-046-068-842	0.63	CC1CC(C)=CCC11COCOC1
MolPort-044-727-743	0.63	CCCC\C=C\CCCCCCCCC(O)=O
MolPort-044-727-744	0.63	CCCCCC\C=C\CCCCCCCCC(O)=O
MolPort-028-747-803	0.63	CCCCCCC=CCCCCCCCC(O)=O
MolPort-046-426-181	0.63	CCCCCCCCCCC\C=C\CCCCC(O)=O
MolPort-021-804-454	0.63	CCC(C)CCCCC\C=C/CCCCC(O)=O
MolPort-046-426-229	0.63	CCCCCCCCCCC\C=C/CCCCCCC(O)=O
MolPort-035-882-134	0.63	CCCC\C=C/CCCCCCCCC(O)=O
MolPort-028-747-855	0.63	CCCCCCCCC=CCCCCCCCCCCCC(O)=O
MolPort-046-763-123	0.63	CCCC\C=C/CCCCCCCCCC(O)=O
MolPort-039-010-546	0.63	OC(=O)CCCCCCCC=CCCCCCCCC(O)=O
MolPort-027-640-910	0.63	CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCCOC
MolPort-044-183-360	0.63	CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
MolPort-039-338-335	0.63	C[C@@]12CC[C@H]3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)CC[C@H]2[C@H]1COC(=O)C1
MolPort-044-561-392	0.63	CCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
MolPort-044-183-353	0.63	CCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
MolPort-044-561-383	0.63	CCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
MolPort-044-561-662	0.63	CCCCCCCCC(CCCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
MolPort-044-561-663	0.63	CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
MolPort-046-793-308	0.63	CCCCCCCOC(=O)CCCCCCC\C=C/CCCCCC
MolPort-044-183-372	0.63	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
MolPort-044-183-363	0.63	CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
MolPort-044-561-394	0.63	CCCCCC\C=C/CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
MolPort-046-793-309	0.63	CCCCCCCCCCOC(=O)CCCCCCC\C=C\CCCCCCCC
MolPort-044-637-536	0.63	CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O
MolPort-023-332-220	0.63	OC(=O)CCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-035-683-171	0.63	CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
MolPort-035-683-186	0.63	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-039-338-736	0.63	CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
MolPort-046-153-107	0.63	CC(C)C(\C=C\C(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C)C(C)O
MolPort-039-052-417	0.63	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-039-052-443	0.63	CC[C@H](CC[C@@H](C)[C@H]1CCC2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3)C(C)C
MolPort-046-703-143	0.63	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-426-781	0.63	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-044-561-082	0.63	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-291	0.63	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-764-593	0.63	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-727-594	0.63	CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-035-706-295	0.63	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-426-780	0.63	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-764-595	0.63	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)C1CC[C@H]2C3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-044-637-537	0.63	CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O
MolPort-046-153-799	0.63	CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-035-705-637	0.63	CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)N(C)C
MolPort-044-723-335	0.63	CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(O)=O
MolPort-046-153-744	0.63	CC(=O)O[C@H]1CC[C@@H]2C(=CC[C@H]3[C@@]2(C)CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)C1(C)C
MolPort-044-649-594	0.63	COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MolPort-020-007-852	0.63	COC1(CCC2=C(C[C@@H](C)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1)OC
MolPort-035-706-428	0.63	C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-046-153-807	0.63	C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
MolPort-039-339-207	0.63	CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-046-690-006	0.63	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-339-158	0.63	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-3710984096	0.63	C1CC2(C)C3CCC4(C)C(C(/C=C/C(C(O)C)C(C)C)C)CCC4C3C(O)C=C2CC1O
MCULE-4428892848	0.63	C1CCC2(C)C3CCC(C=C)(C)C=C3CCC2C1(C(=O)O)C
MCULE-7171066746	0.63	C/C(/C)=C/C(CC1COCC1)(O)C
MCULE-6190365385	0.63	C(O)(CC1(C)C(CC(O)=O)(CC=C2C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12)[H])=O
MCULE-5541619791	0.63	[C@]12(C)CCC[C@@](C)(C(O)=O)[C@]1([H])CCC1=C[C@@](CC[C@]12[H])(C)C=C
MCULE-3655330509	0.63	OC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-9038016383	0.63	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@H](O)C=C2C[C@H]1O
MCULE-2538735041	0.63	C(OCCC(C)CC/C=C(\C)/C)(C)=O
MCULE-6029934866	0.63	CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C([C@@H]([C@H](CC2)O)O)=CC3)[H])([H])CC1)C)C
MCULE-8928261768	0.63	C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@](C(=O)O)(C)C1
MCULE-9297462921	0.63	C12(C)CCC(O)C=C1CCCC2O
MCULE-9024921933	0.63	OC(C(CC1C2C=CC(CC2)C1)=O)=O
MCULE-1387113476	0.63	C12CCC(O)C=C1CCCC2O
MCULE-9840181952	0.63	C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@@](C(=O)O)(C)C1
MCULE-7101983009	0.63	CC1C(CC/C=C(\C)/C)(O)CCOC1
MCULE-4320729921	0.63	C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-2038225383	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=C2[C@@H](O)[C@H]1O
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
MCULE-8464956672	0.63	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OCC)=O
MCULE-1537420527	0.63	[C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O
MCULE-7768798034	0.63	C(C)(=O)OC1CCC2(C)C(O)(C1)CCC1=C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21
MCULE-8386752633	0.63	O=C1CCC2(C)C3C(C4CCC(C4(C)C(C=3)=O)C(OC)=O)CCC2([H])C1
MCULE-2054566768	0.63	[C@@]12(C)CC[C@]3(CCC(C)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)OC(C)=O)CC[C@@]21C)C)C(O)=O
MCULE-3860907328	0.63	C1=CC2(OC)CCC1CC2CC(OCC)OCC
MCULE-2039968402	0.63	C12(C)CCC(C(C)(C)C1C=CC1C3C(C)(C(CC3)OC(C)=O)CCC21)=O
MCULE-7459808702	0.63	[C@@]12(C)C[C@@H]([C@]([H])([C@@]3(C)CC[C@@]([H])(C(C)(C)O)O3)[C@@]1(C)CC=C1C2C[C@H](O)C2[C@]1(C)CC[C@H](O)C2(C)C)O
MCULE-5998876996	0.63	O(C(C)=O)[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]12
MCULE-8995433010	0.63	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](N(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1OC
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-6276076551	0.63	C(OC)(C1CCC2C1(C)CCC1C=2CCC2(O)CC(O)CCC21CO)=O
MCULE-2403352810	0.63	C12=CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
MCULE-7702176615	0.63	CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
MCULE-7592205580	0.63	C(/CCCCCC(C)CC)=C/CCCCC(O)=O
MCULE-8191255112	0.63	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
MCULE-9547538729	0.63	CCCCCCCCC=CCCCCCCCC(O)=O
MCULE-6044533117	0.63	OC(CCCCCCC/C=C\CCCCCCCC)=O
MCULE-8798348917	0.63	C(CCCCCCC(=O)O)CCCCCC/C=C\CCCCCCCC
MCULE-1046270451	0.63	OC(CCCCCCCC=CCCCCCCCC(=O)O)=O
MCULE-9914820446	0.63	C(/CCCCCCC(C)C)=C/CCCCC(O)=O
MCULE-3046418352	0.63	CCCCCCCC/C=C/CCCCCCCC(=O)O
MCULE-7761893081	0.63	C(CCCCCC(=O)O)CC/C=C\CCCCCCCC
MCULE-1138072612	0.63	CCOC1CCC(C(C)=C)(O)CC1
MCULE-8054022250	0.63	C(CCCCCCCCC=CCCCCCC)(O)=O
MCULE-9458964114	0.63	C/C(/C)=C/CCC1CCCCC(O)C=1
MCULE-9763790385	0.63	CCOC1CCC(C=C)(O)CC1
MCULE-3248745724	0.63	C(CCCCCCCC)=CCCCCCCCCCCCC(=O)O
MCULE-5077473579	0.63	C(CCCCCCC(=O)O)CCCC/C=C\CCCCCC
MCULE-5279536710	0.63	C12(COCOC1)CCC(=CC2)C
MCULE-7832981899	0.63	C(OC)(=O)C1CCC(=CC1)C
MCULE-5174909262	0.63	C(CCCCCCCC=CCCCCCCCC)(OCCCC)=O
MCULE-9430504051	0.63	C123CCC=CCCC1(C(C(=O)C2C(OC)=O)C(OC)=O)C(C(=O)C3C(OC)=O)C(OC)=O
MCULE-7920901589	0.63	C1C(C(=O)OC)(C)CC(C)=C(C)C1
MCULE-3541447914	0.63	C(=O)(OCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
MCULE-9025119859	0.63	C12(C)CC(C)=C(C)C1(CCC1OCCO1)CCC2
MCULE-6133704295	0.63	CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCCOC)[C@@H](O)C[C@H]1O
MCULE-2997418374	0.63	C(OCC(CC)CCCC)(=O)CCCCCCCC=CCCCCCCCC
MCULE-1124335251	0.63	C(OC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCCC
MCULE-7818588594	0.63	CCCCCC[C@@](O)(CC=CCCCCCCCC(OCC)=O)[H]
MCULE-2278855920	0.63	CC1(CCCC1)CC1(CC=CC1)CO
MCULE-5419694681	0.63	OCC1(C2CCCCCC2)CC=CC1
MCULE-8308803305	0.63	C1=CCC(CO)([H])C(CO)([H])C1
MCULE-6061926963	0.63	C/C(/C)=C/C1(C2(CCCC2)CC1)O
MCULE-4834307131	0.63	OC(C1(CCCC1)O)CC1CC=CC1
MCULE-1567541702	0.63	C1C=CCC(CO)(CO)C1C
MCULE-4914569425	0.63	C1CC(C)(CO)C(C)(CO)CC=1
MCULE-2186753253	0.63	C1(CCC=CC1)(CO)CO
MCULE-5997570138	0.63	C(=CC(O)CC(C)C)CCCCCC
MCULE-6700435672	0.63	C1CC(CO)(C([H])(CO)CC=1)C
MCULE-2422158635	0.63	C1C[C@]2([H])[C@@](C)(CC/C(=C/CO)/C)[C@H](C)CC[C@@]2(C)C(C)=C1
MCULE-1584318422	0.63	C/C(/C)=C/CCC1(CCOCCC1)O
MCULE-8160749096	0.63	CC1(C(O)C(CC2CC=CC2)CO1)C
MCULE-6405543561	0.63	C/C(/C)=C/CCC1C(O)C(C)(C)OC1
MCULE-8428849081	0.63	C/C(/C)=C/CCC1(CC(C)(C)OC1)O
MCULE-5637235040	0.63	OC1(CCOCCC1)CC1CC=CC1
MCULE-4961090641	0.63	CC(C=C(CC1COCC1)C)O
MCULE-3996210032	0.63	CC1OCC(CC/C=C(\C)/C)(O)C1
MCULE-8884728524	0.63	CC1C(CC2CC=CC2)(O)CCO1
MCULE-8915465843	0.63	CC1(C(CC2CC=CC2)(O)CCO1)C
MCULE-7802418500	0.63	CC1OC(C)C(CC2CC=CC2)(O)C1
MCULE-2591985853	0.62	CC1(C(CC2CC=CCC2)=O)OCCC1
MolPort-044-722-902	0.62	CC1=C(CCC2(C)OCCCO2)C(C)(C)CCC1
MCULE-2321781017	0.62	CC1OC(C(CC2CC=CCC2)=O)CC1
MolPort-046-793-033	0.62	CC(C)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C(C)C2[C@@H]13
MCULE-4079586755	0.62	C12CC(C3C(O)C(O)C13)C=C2
MolPort-044-755-235	0.62	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC=CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-1292561691	0.62	CC1C(C(CC2CC=CCC2)=O)OCC1
MolPort-046-761-554	0.62	COC1=C(C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]23)C1)C=O
MCULE-6020017542	0.62	OC1(C2CCC2)C2C=CC(C2)C1
MolPort-046-592-361	0.62	COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CCC3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
MCULE-5756833407	0.62	[C@]12(C)[C@H](C)CCC=C1CC[C@@H](C(=C)C)C2
MolPort-044-649-712	0.62	COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MCULE-4854708910	0.62	CC1(C(=O)C(CC2CC=CCC2)CO1)C
MolPort-023-314-383	0.62	CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CC[C@H](OC(C)=O)C4(C)C)[C@]3(C)CC[C@@]21C
MCULE-1732403644	0.62	OC1(C2C=CC(C2)C1)CCC1CC1
MolPort-044-649-784	0.62	COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MCULE-4316210092	0.62	CC1C(CC2CC=CCC2)(N)CCO1
MolPort-044-755-237	0.62	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]4(C)C[C@H](CCC4=C3CC[C@]12C)OC(C)=O
MCULE-1291038880	0.62	C[C@H](CCC(=O)OC)[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@](C[C@@H](CC2)O)([H])C(=CC)C3=O)[H])([H])CC1
MolPort-035-706-554	0.62	CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
MCULE-4266119443	0.62	COC1C(C(C2CCCC=2)O)C1
MolPort-035-706-545	0.62	C\C(C=C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C
MCULE-7471538566	0.62	C/C(/C)=C/CCC1(COC1)O
MCULE-9101916000	0.62	COCC(C1(C2(CCCC2)CC1)O)=C
MCULE-2562092030	0.62	C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@](CO)(C)C1
MCULE-7903752471	0.62	C=CCCC1CC2(CCCC2)OCC1
MCULE-7212968939	0.62	C=CCCC1CC2(CCC2)OCC1
MCULE-8805779073	0.62	[C@]12(C)CCC(C=C1C=CC1C3[C@@](C)([C@@]4(CC3)CCO4)CCC12)O
MCULE-2069877830	0.62	C(C)(=O)OC1CCC2(C)C(C1(C)C)=CCC1C2CCC2(C)C(C(C)CCCC(C)C)CCC21
MCULE-5029800865	0.62	CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)(C)C
MCULE-1988011337	0.62	CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)C
MCULE-3983585938	0.62	C(C1C2C=CC(CC2)C1)OC1CNC1
MCULE-1480805765	0.62	CCOC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-3496812213	0.62	C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCC(CC)C(C)C
MCULE-7999402217	0.62	[C@]12(C)CC[C@](CC1=CCC1C2CC[C@]2(C1CCC2OC(C)=O)C)(C)OC(C)=O
MCULE-3331989617	0.62	C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H]
MCULE-8641360664	0.62	C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C(O)CCC(C)C)CCC4C3CC=C2C1
MCULE-9697672273	0.62	CC(OC(C1C2C=CC(CC2)C1)=O)(C)C
MCULE-8247739375	0.62	C12=CCC3C(C)(CCC4C(C(OC(C)=O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(OC)=O
MCULE-5473746623	0.62	[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)OC(C)=O
MCULE-2659782471	0.62	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
MCULE-4346215084	0.62	[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(C)=O
MCULE-2328694476	0.62	[C@@]12([H])CC=C3C[C@@H](OC(=O)C)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CC[C@@H](CC)C(C)C
MCULE-1081447415	0.62	O=C1C=C2CC(OC)CCC2(C)C2CCC3(C)C(C(C)CCCC(C)C)CCC3C21
MCULE-2048707819	0.62	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@]2([H])[C@H](C)CC[C@@H](CC)C(C)C
MCULE-4320332467	0.62	C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCC(C)C(C)C)CCC4C3CC=C2C1
MCULE-1316925332	0.62	CC(OC(C1C2C=CC(CC2)C1)=O)C
MCULE-3027567956	0.62	[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2OC(C)=O)C)OC(C)=O
MCULE-1546940698	0.62	C12CCC3(C)C(CCC3C1CC=C1CC(CCC21C)OC(=O)C)OC(=O)C
MCULE-3254382141	0.62	C12(C)CCC(OC(C)=O)CC1=CCC1C2CCC2(C)C1CCC2=CC
MCULE-5953628396	0.62	C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(C)=O
MCULE-1825345202	0.62	C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3=CCC(C(C)C=CC(C)C(C)C)C3(C)CCC=12)[H]
MCULE-6330480709	0.62	C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1
MCULE-7757466005	0.62	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@@H]2[C@H](C)C=C[C@@H](CC)C(C)C
MCULE-3117776619	0.62	C(C)(=O)OC1CCC2(C)C(C1)=CCC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H]
MCULE-9703213540	0.62	C(C)(=O)OC1CCC2(C)C3CCC4(C)C=CCC4C3CC=C2C1
MCULE-7413623623	0.62	C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCCC(C)C
MCULE-3699550787	0.62	C12=CCCCC1([H])C(CCCCOC(C)=O)OC1CCCC[C@@]21[H]
MCULE-3460278496	0.62	C12CCC(C=C1)CC2C(OCC)=O
MCULE-7842753172	0.62	C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)O
MCULE-2754730792	0.62	C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2O)C)OC(C)=O
MCULE-8045386580	0.62	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-9672606479	0.62	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)=O
MCULE-7088367969	0.62	[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-4121948099	0.62	CC(OC)OCCC(C)CC/C=C(/C)\C
MCULE-5064546197	0.62	[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-2115945080	0.62	C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2N)C)O
MCULE-9571540687	0.62	C/C(/C)=C/CCC1C(O)COC1
MCULE-5967042891	0.62	[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-9335086572	0.62	CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
MCULE-5277306782	0.62	O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]21
MCULE-5917166171	0.62	CC1C(CC/C=C(\C)/C)C(O)CO1
MCULE-3629918410	0.62	O=C(CCC(C)C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)CC
MCULE-3143886740	0.62	C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-3774604452	0.62	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CCC(=C)C(C)C)C)[C@@H](O)C[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@H]1O
MCULE-2538866374	0.62	C(C1C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C)(=O)C
MCULE-2847349308	0.62	[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)CC3)CC=2
MCULE-5111117747	0.62	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-6728895797	0.62	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC1CCCCC21C(C)=O
MCULE-6089018925	0.62	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
MCULE-6888052424	0.62	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	0.62	[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
MCULE-2451101251	0.62	C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
MCULE-1308336736	0.62	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-5952812721	0.62	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)[C@@H](O)C[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@H]1O
MCULE-2615091969	0.62	O=C1C(C2CCCCC2)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-4006235073	0.62	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)=O
MCULE-7829183730	0.62	O=C1C(C(C)C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-6217200752	0.62	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-9526433855	0.62	[C@]12(C)CCC3[C@@]([H])(CC=C4CC(O)CC[C@]34C)C1C[C@@H](C)[C@]2(C)C(C)=O
MCULE-7510220469	0.62	C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(=C1)CO)C
MCULE-6367656540	0.62	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-4269813571	0.62	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
MCULE-7491068561	0.62	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
MCULE-7929696567	0.62	C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O
MCULE-1547137893	0.62	C12CCC(C(C)CCCC(=O)C)C1(C)CCC1C3(C)CCC(O)CC3=CCC21
MCULE-3117143517	0.62	CC1(CC(CC2CC=CC2)(O)C1)C
MCULE-7483828714	0.62	CC1C(CC2CC=CC2)(O)CC1
MCULE-9338644720	0.62	OC1(CCC1)CC1CC=CC1
MCULE-7257776158	0.62	CC1CC(C(CC2CC=CC2)O)C1
MCULE-8451732137	0.62	CC(C1CCC1)(CC1CC=CC1)O
MCULE-8269042633	0.62	C/C(/C)=C/CCC1(C(C)(C)CC1)O
MCULE-3518978306	0.62	C/C(/C)=C/CCC1(CCCC1)O
MCULE-9666104558	0.62	CC1C(C(CC2CC=CC2)(O)C)C1
MCULE-6714106749	0.62	CC(C1CC(CC2CC=CC2)(O)C1)C
MCULE-6185037616	0.62	OC1(CCCC1)CC1CC=CC1
MCULE-9916024007	0.62	CC1C(C)C(CC/C=C(\C)/C)(O)C1
MCULE-4680973810	0.62	CC1CC(CC2CC=CC2)(O)C1
MCULE-5785045084	0.62	CC1C(C)C(CC2CC=CC2)(O)C1
MCULE-8537539599	0.62	CC1CC(CC/C=C(\C)/C)(O)CC1
MCULE-7868209831	0.62	CC1C(C(CC2CC=CC2)O)C1
MCULE-6994850137	0.62	CC1(CC(CC2CC=CC2)(O)CC1)C
MCULE-7960215674	0.62	CC(C1CC1)(CC1CC=CC1)O
MCULE-9392156768	0.62	CC1CC(CC2CC=CC2)(O)CC1
MCULE-2160573955	0.62	CC1(C(CC2CC=CC2)(O)CC1)C
MCULE-1448579286	0.62	CC(C1(CC1)C)(CC1CC=CC1)O
MCULE-6470482217	0.62	CC(C1C(C)(C)C1)(CC1CC=CC1)O
MCULE-5615754711	0.62	CC1C(CC/C=C(\C)/C)(O)CC1
MCULE-3415791931	0.62	C/C(/C)=C/CCC1(CC(C)(C)CC1)O
MCULE-4304799829	0.62	C(CCCCCCCC=CCC=CCCCCC)(OCC)=O
MCULE-3134302963	0.62	C(OC(=O)CCCCCCCC=CCCCCCCCC)(=O)CCCCCCCC=CCCCCCCCC
MCULE-7966134790	0.62	C1(CC=C(CC1C)C)C1OCCO1
MCULE-5797133433	0.62	C(OC(=O)CCCCCCCCCC=CCC=CCCCCC)C
MCULE-1430134339	0.62	C1(C2CCC(=CC2)C)OCCO1
MCULE-7694957039	0.62	O=C1CCC(OCC2CC=CCC2)CC1
MCULE-7177256815	0.62	C(CCC(=O)OCC)CCC=CCC=CCC=CCC=CCC=CCC
MCULE-7356333105	0.62	C([C@H]1CCC(=O)[C@@H]1CCCCCCC(OC)=O)=C[C@H](CCCCC)O
MCULE-2975110457	0.62	C(CC(=O)OCC)CCCCC/C=C/C/C=C/C/C=C/CC
MCULE-4255982344	0.62	C(CCCCCCCC=CCC=CCC=CCC)(OCC)=O
MCULE-5773937031	0.62	C12C3C=CC1C(C(OC)=O)(C)C1C=CC(C3(C(OC)=O)C)C12
MCULE-1984890609	0.62	C(/CCCCCCCC(OCC)=O)=C/C/C=C\C/C=C\CC
MCULE-4440606459	0.62	C1([H])(C(OC)=O)C2C3C4C1C=CC4C([H])(C(OC)=O)C3C=C2
MCULE-2893862044	0.62	[Na+].C(CCCCCC([O-])=O)CC=CCCCCCCCC
MCULE-1467475131	0.62	C1C=C2CCC(O)C2C1
MCULE-4080553011	0.62	C12([H])CCC1([H])C=CC2(O)[H]
MCULE-2611969931	0.62	[C@@H]1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-2467601128	0.62	C1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-6062917578	0.62	C/C(/C)=C/CCC1CCC(O)C=1
MCULE-2144125677	0.62	C12([H])C=C(C)C1([H])CCC2([H])O
MCULE-8413416808	0.62	C/C(/C)=C/CCC1(C=CCCC1)O
MCULE-4188975486	0.62	O=C(CCCCCCCC=CCCCCCCCC)[O-].[K+]
MCULE-1937134104	0.62	C1CC2(C(CCC(C2CCC(CC(O)=O)C)=C)C(C1)(C(=O)OC)C)C
MCULE-3222494622	0.62	C12CCC3C(C3CCC=CCCC1C2C(O)=O)C(O)=O
MCULE-5809713750	0.62	[C@@H]1(O)C(=C)CC[C@@H](C(C)C)C=CC(=C)CC1
MolPort-003-666-312	0.62	CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-354-437	0.62	CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2N
MolPort-003-929-763	0.62	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-002-911-249	0.62	CC(CCCC(C)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-001-736-568	0.62	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
MolPort-002-507-433	0.62	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-003-983-927	0.62	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-005-909-640	0.62	CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)C1CCC2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)C3CC[C@]12C
MolPort-007-980-916	0.62	CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
MolPort-003-891-893	0.62	CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
MolPort-000-720-642	0.62	CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-002-514-284	0.62	CC(C)C1=C[C@@]23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
MolPort-002-524-169	0.62	C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
MolPort-002-507-280	0.62	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]34C)C2C1C)C(O)=O
MolPort-000-729-105	0.62	CC1(C)CCC2(CC[C@]3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
MolPort-009-198-793	0.62	CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-008-430-076	0.62	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C2C1C)C(O)=O
MolPort-002-525-209	0.62	C[C@H](CCCC(C)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-003-937-820	0.62	CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC
MolPort-004-955-261	0.62	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-002-534-996	0.62	C[C@@H]1CCC2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]34C)C2C1C)C(O)=O
MolPort-006-116-655	0.62	[Bi+3].CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-007-980-901	0.62	CC(=C)C1CCC2(COC=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC=O)C(C)(C)C5CC[C@@]34C)C12
MolPort-006-111-035	0.62	[K+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-006-118-208	0.62	[Na+].CCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-004-831-208	0.62	CC1CC(=C)CC2(CCCCC2)O1
MolPort-001-740-912	0.62	COC(=O)C1(C)CCCC2(C)C(CCC(C)CC(O)=O)C(=C)CCC12
MolPort-006-111-036	0.62	[Na+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-001-740-468	0.62	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@H]1C)C(O)=O
MolPort-003-937-819	0.62	CCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
MolPort-009-019-232	0.62	CCOC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC
MolPort-002-538-869	0.62	CC1=CCC(CC1)C1OCCO1
MolPort-002-513-028	0.62	CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)OC
MolPort-003-938-896	0.62	CCCCCCCC\C=C/CCCCCCCC(=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
MolPort-000-723-551	0.62	CC1CC(C)=CCC1C1OCCO1
MolPort-006-126-485	0.62	CCCCCCCC\C=C/CCO
MolPort-002-158-261	0.62	CC(=O)C12CCCCC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
MolPort-002-525-706	0.62	CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
MolPort-002-522-274	0.62	CC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-509-518	0.62	CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O)C(C)C
MolPort-001-740-060	0.62	C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
MolPort-002-841-870	0.62	CC(=O)OC1CCC2C3CC=C4C[C@](C)(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
MolPort-000-295-003	0.62	CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
MolPort-002-530-229	0.62	CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
MolPort-001-742-502	0.62	COC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2
MolPort-000-722-953	0.62	CC(=O)OC1CCC2(C)C3CCC4(C)C(O)CCC4C3CC=C2C1
MolPort-000-830-370	0.62	CC(=O)OC1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
MolPort-002-513-378	0.62	C[C@]12CCC3C(C=CC4=CC(O)CC[C@]34C)C1CC[C@@]21CCO1
MolPort-002-511-686	0.62	CC(=O)OCCCCC1OC2CCCC[C@H]2C2=CCCCC12
MolPort-002-511-373	0.62	CC1CCCC(C)(CCCC(C)=C)O1
MolPort-002-527-905	0.62	CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
MolPort-002-511-286	0.62	CC(O)C(C)CCC=C(C)C
MolPort-005-910-094	0.62	CC1CCC=C2CCC(CC12C)C(C)=C
MolPort-003-698-563	0.62	COC(=O)C1CC2CC1C=C2
MolPort-002-507-184	0.62	C[C@@H]1CCC=C2CC[C@H](C[C@@]12C)C(C)=C
MolPort-003-960-163	0.62	CC\C=C/CCCCO
MolPort-002-507-828	0.62	CC1(C)C2CCC1(C)C(C2)C1=CCCCC1
MolPort-001-762-335	0.62	COC(=O)C1CC2CC1C=C2
MolPort-006-116-362	0.62	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C
MolPort-000-827-350	0.62	CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
MolPort-001-740-955	0.62	CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(O)=O
MolPort-003-891-594	0.62	CCC(CCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O)C(C)C
MolPort-001-740-913	0.62	C[C@@]1(CCC2C(C1)=CCC1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MolPort-002-506-906	0.62	CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-939-637	0.62	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-002-507-455	0.62	C[C@@H]1CC2[C@@H]3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-002-527-265	0.62	C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
MolPort-002-525-147	0.62	C[C@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@@H]1C)C(O)=O
MolPort-001-741-050	0.62	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O
MolPort-002-506-890	0.62	CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC=C2C1
MolPort-002-520-667	0.62	CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O
MolPort-002-889-412	0.62	CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O
MolPort-002-911-161	0.62	CC(=O)OC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
MolPort-006-069-320	0.62	CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
MolPort-002-525-741	0.62	CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)[C@@H](O)CCC4[C@@H]3CC=C2C1
MolPort-002-501-633	0.62	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
MolPort-003-803-623	0.62	CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)CCCC4C3CC=C2C1
MolPort-003-855-523	0.62	CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
MolPort-002-525-850	0.62	CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O)C(C)C
MolPort-046-766-245	0.62	CC(CO)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@@H]3CC[C@]12C)OC(C)=O
MolPort-044-755-192	0.62	CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC=C2C1
MolPort-044-831-841	0.62	OC(=O)CC1CCC=CCC1
MolPort-039-338-864	0.62	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-035-706-531	0.62	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-039-338-320	0.62	C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MolPort-027-835-590	0.62	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-046-419-080	0.62	C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-052-704	0.62	CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CC[C@]5(CO)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
MolPort-039-338-184	0.62	CC[C@H](CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-765-250	0.62	C[C@@H](C=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-046-015-164	0.62	CC=C[C@@H]1CCC[C@H]1O
MolPort-046-689-757	0.62	[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
MolPort-046-684-181	0.62	CCCCC\C=C\C\C=C/CCCCCCCCCC(=O)OCC
MolPort-039-337-729	0.62	CCOC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
MolPort-021-782-997	0.62	CCCCCCCC\C=C\CCCCCCCC(=O)OC(=O)CCCCCCC\C=C\CCCCCCCC
MolPort-044-723-428	0.62	[Na+].CCCCCCCCC=CCCCCCCCC([O-])=O
MolPort-028-962-365	0.62	CC(O)CO.CCCCCCCC\C=C/CCCCCCCC(O)=O
MolPort-039-338-643	0.62	COC(C)(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
MolPort-042-675-343	0.62	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
MolPort-027-834-998	0.62	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
MCULE-5616785989	0.62	C12(C)C(C)CCC=C1CCC(C(C)=C)C2
MolPort-046-761-810	0.62	[2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC([2H])([2H])C3=O)[C@@H]2C1
MCULE-5503440064	0.62	[H]C12C(C)(C)CC=CC1(C)C1CCC3(C4(C(C(C)C)CCC4(C)CCC3(C)C1(C)CC2)[H])[H]
MolPort-046-761-785	0.62	CC1(C)CCC2=C1CC[C@H]1[C@H]2CC[C@H]2CC(=O)OC[C@]12C
MCULE-8214516455	0.62	C12CCCCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
MolPort-046-691-997	0.62	[2H]C([2H])([2H])C(=O)[C@@]1([2H])CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-8982382729	0.62	C12[C@H](C)C[C@]3([C@@]([H])(CC[C@]4([H])C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])CCC=2C(C)CCC(OC)=O)[H]
MolPort-046-762-480	0.62	CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-1070537748	0.62	[H]C12CCCC1(C)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
MolPort-046-589-954	0.62	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
MCULE-8434520112	0.62	OC1(C2C=CC(C2)C1)CC1CC1
MolPort-046-596-264	0.62	C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MCULE-5051897823	0.62	C12C(C)(C)CCCC1(C)C1CCC3(C)CCCC3C1CC=2
MolPort-046-596-590	0.62	CC(=O)C12CCCC[C@@H]1C[C@H]1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
MCULE-8733365213	0.62	NC1CC(C(CC2CC=CCC2)O)C1
MolPort-046-597-698	0.62	C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
MCULE-3644985415	0.62	[H]C12CCCC1(C)C1CC=C3C4(C(C)C(C)CCC4(C)CCC3(C)C1(C)CC2)[H]
MolPort-039-052-455	0.62	CC(C)C(=C)CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-4588166214	0.62	[H]C12CCC=CC1(C)C1CCC3(C)CCCC3C1CC2
MolPort-021-804-631	0.62	CC1(CCCC2(C)C1CCC13CC(CO)C(C1)CC=C23)C(O)=O
MCULE-8985793751	0.62	NC1(C2C=CCCC2)CCOCC1
MolPort-020-005-912	0.62	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MCULE-5456080199	0.62	ClC1C(CC2CC=CCC2)COC1
MolPort-035-784-288	0.62	O.CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MCULE-9808053205	0.62	C[C@@H](C1=C2C[C@@H]([C@H]3[C@]4(CCC(C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)=O)C)O)C[C@@H]([C@H](C(OC)(C)C)O)O
MolPort-035-706-406	0.62	CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@H](O)[C@]5(C)C(O)=O)CC3=CC[C@@H]12
MCULE-6026825668	0.62	C1(CCC2(C)OCCCO2)C(C)(C)CCCC=1C
MolPort-044-193-919	0.62	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O
MCULE-4519288897	0.62	OC1(C2CC2)C2C=CC(C2)C1
MolPort-046-764-596	0.62	CC(CCCC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-7847378513	0.62	BrC1C(CC2CC=CCC2)COC1
MolPort-039-338-364	0.62	CC(C)[C@@H]1CCC(=C)[C@@H](O)CCC(=C)\C=C\1
MCULE-7937772710	0.62	NC1(C(CC2CC=CCC2)O)CC1
MolPort-039-338-968	0.62	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MCULE-5192933185	0.62	C([H])(CCCC)=C([H])CCCCO
MolPort-046-688-727	0.62	C\C(C=C)=C\C[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C
MCULE-2601245805	0.62	NC1(C(CC2CC=CCC2)O)CCC1
MolPort-046-646-710	0.62	COCCC1(CO)CC=CC1
MCULE-2449230661	0.62	C1(CC2CC1C=C2)C(OC)=O
MolPort-035-775-540	0.62	OC1CCC=CCCC=CCCC1O
MCULE-2735934269	0.62	OC1(C(CC2CC=CCC2)=O)CCCC1
MolPort-039-338-520	0.62	COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MCULE-5850991547	0.62	C(/C)(\C)=C/CCC(C)C(C)O
MolPort-046-593-467	0.62	O[C@H]1CC\C=C/CC\C=C/CC[C@H]1O
MolPort-027-853-629	0.61	CC(CCO)CCC1C(=C)CCC2C(C)(C)C(O)CCC12C
MolPort-035-766-462	0.61	C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)C3=C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
MolPort-039-338-712	0.61	C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
MolPort-046-067-613	0.61	CC1(C)C[C@@]2(CCO1)CCC(=O)C=C2
MolPort-046-596-338	0.61	CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CC[C@]12C
MolPort-023-220-655	0.61	COC1=CCC2=C(CC[C@H]3[C@@H]4CCC(O)[C@@]4(C)CC[C@H]23)C1
MolPort-035-706-550	0.61	CO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)\C=C\[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O
MolPort-046-596-253	0.61	CC(=O)[C@@]1(O)CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC=O
MolPort-035-705-937	0.61	CC(=O)OC[C@H](O)[C@@]1(C)CC[C@@H]2C(CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]23C)=C1
MolPort-044-559-905	0.61	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@]67CC[C@@H](C)[C@H](C)[C@H]6C6=CCC8[C@@]9(C)CCC(=O)C(C)(C)C9CC[C@@]8(C)[C@]6(C)CC7)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-042-675-528	0.61	CC(C)(O)C1OCC(CC1O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C
MolPort-030-082-369	0.61	CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
MolPort-035-706-431	0.61	CC(C)(O)[C@@H]1OC[C@@H](C[C@H]1O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-046-762-562	0.61	CC(=O)OC1(C)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
MolPort-046-596-285	0.61	CC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-027-835-585	0.61	C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C
MolPort-003-983-651	0.61	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CO)CO
MolPort-044-600-547	0.61	COC(=O)[C@H]1C2CCC(C=C2)[C@H]1C(O)=O
MolPort-002-169-466	0.61	CC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4CC(C)(CCC4(C)CCC32C)C(O)=O)C1(C)C
MolPort-001-764-454	0.61	CC(C)\C=C\CCCCC(O)=O
MolPort-003-698-717	0.61	CC(C)\C=C/CCCCC(O)=O
MolPort-000-727-694	0.61	CC12CCC3C(CC=C4CC5(CCC34C)OCCO5)C1CCC2O
MolPort-003-873-418	0.61	CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-525-526	0.61	CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
MolPort-002-525-803	0.61	C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4=CC[C@]23C)O[C@]11CC[C@@H](C)CO1
MolPort-002-506-895	0.61	C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@]34C)OCCO5)[C@@H]1CC[C@@H]2O
MolPort-002-528-923	0.61	CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-508-571	0.61	CC(=O)O[C@H]1CCC2[C@@H]3CCC4=CC(=O)CCC4C3CC[C@]12C
MolPort-002-508-454	0.61	CCCOC(=O)C12CCC(C)(C)CC1C1=CCC3[C@@]4(C)CC(O)C(O)C(C)(C)C4CC[C@@]3(C)[C@@]1(C)CC2
MolPort-002-519-875	0.61	CC(=O)[C@@]1(O)CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC=O
MolPort-003-925-864	0.61	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC
MolPort-002-524-866	0.61	COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
MolPort-002-528-063	0.61	C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@]34C)OCCO5)[C@@H]1CCC2O
MolPort-006-823-213	0.61	CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-006-111-314	0.61	CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-025-718	0.61	CC(=O)\C=C\C1C(C)(O)CCC2C(C)(C)CCCC12C
MolPort-001-921-944	0.61	CC1=C(CCC(C)(O)C#C)C(C)(C)CCC1
MolPort-006-126-388	0.61	CC(C)(O)CCCC1=CCC(CC1)C=O
MolPort-001-917-870	0.61	CC1(C)CC2(CCO1)CCC(=O)C=C2
MolPort-002-568-054	0.61	CC(=O)OCCC1=CCC2CC1C2(C)C
MolPort-006-111-540	0.61	CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3C(=C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)C(=C)CC[C@@H]12
MolPort-044-755-207	0.61	CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
MolPort-028-803-657	0.61	CC1(O)CCCC=C1
MolPort-039-138-529	0.61	OCCCC1=CCC=CC1
MCULE-2401641072	0.61	C1CCC(C(OCC)OCC)CC=1
MCULE-4521359701	0.61	NCC1(CCOCC1)CC1CC=CC1
MCULE-6198972156	0.61	CC1C(CC2CC=CC2)(O)COC1
MCULE-5123356587	0.61	C(=CCC=CCCCCC)CC=CCC=CCCCCOC(CO)CO
MCULE-9856193209	0.61	NC1(CC=CC1)CCC1CCOCC1
MCULE-5870641033	0.61	CC1C(C)C(CC2CC=CC2)(O)CO1
MCULE-4080854437	0.61	N#CC1(CCOCC1)CC1CC=CC1
MCULE-8841658744	0.61	C/C(/C)=C/C(C1C2(CCOCC2)C1)N
MCULE-9330487233	0.61	OC1(COCCC1)CC1CC=CC1
MCULE-8684927566	0.61	O=CC1(CCOCC1)CC1CC=CC1
MCULE-5626312847	0.61	CC1(C(CC2CC=CC2)(O)COC1)C
MCULE-5409989717	0.61	NC(C1CCOCC1)CC1CC=CC1
MCULE-5082910745	0.61	CCC1C(CC2CC=CC2)(O)COC1
MCULE-8180724609	0.61	C(C1CCOC=1)C1CC=CC1
MCULE-7359604143	0.61	COC1C(C2(CC=CC2)CN)CCC1
MCULE-2851139379	0.61	CC1OCC(CC2CC=CC2)(O)CC1
MCULE-4483365425	0.61	CCC1OCC(CC2CC=CC2)(O)C1
MCULE-9482794587	0.61	CC1OC(C)C(CC/C=C(\C)/C)(O)C1
MCULE-1471921018	0.61	COC1C(C2(CC=CC2)N)CCC1
MCULE-7221814357	0.61	O=C(C1CCOCC1)CC1CC=CC1
MCULE-1857137540	0.61	NCC1(CC=CC1)CC1CCOCC1
MCULE-5383708497	0.61	NC1(CC=CC1)CC1CCOCC1
MCULE-4997792867	0.61	C1(CCCCC1)C=CC1CCCCC1
MCULE-6864358337	0.61	C1C(C(C)C)=CCC(C(C)C)C1
MCULE-9605328516	0.61	C(CC)(C)(C)C1CC=CCC1
MCULE-4277793393	0.61	C1C[C@]2(C)[C@@H](CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CCC3=C)C(=C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-6855887119	0.61	NC1(COCC1)CCC1CCCCC=1
MCULE-5281503138	0.61	NC1(COCCC1)CC1CC=CCC1
MCULE-5245736280	0.61	NC1C(CCC2CCCCC=2)COC1
MCULE-7112192425	0.61	COC(C(CC1CC=CCC1)N)=O
MCULE-1991391695	0.61	C12C(CCOC(C)=O)=CCC(C1(C)C)C2
MCULE-7060204243	0.61	CC1C(CCC2CCCCC=2)C(=O)CO1
MCULE-6834807417	0.61	C1C2(CCOC(C)(C)C2)CCC(=O)C=1
MCULE-8374344586	0.61	O=C1C(CCC2CCCCC=2)COC1
MCULE-3124657861	0.61	C1[C@]2(CCOC(C)(C)C2)CCC(=O)C=1
MCULE-8711501793	0.61	CC1(C=CCCC1)O
MCULE-4355237427	0.61	CC(CC1(CC=CCC1)N)(CO)C
MCULE-3679562642	0.61	COC(CC1(CC=CC1)N)(C)C
MCULE-1778365802	0.61	CC(CC1(CC=CCC1)N)CO
MCULE-6569795323	0.61	COCC(=O)CC/C(/C)=C(\C)/C
MCULE-2167582425	0.61	COC(CC1(CC=CC1)N)C
MCULE-1144217583	0.61	C1(C=O)CCC(CCCC(O)(C)C)=CC1
MCULE-5225411148	0.61	C12(C)CCCC(C)(C)C1CCC(C)(O)C2C=CC(C)=O
MCULE-4390896731	0.61	C1(CCC(C)(O)C#C)C(C)(C)CCCC=1C
MCULE-1907836044	0.61	OC1C(CC2CCCC=2)COC1
MCULE-9344597906	0.61	C1(OC)CC2=C(CC=1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(O)CC3)CC2
MCULE-1850569909	0.61	[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CCC43)C1CC[C@@H]2OC(C)=O
MCULE-3754202975	0.61	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-9611860953	0.61	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-6906348244	0.61	C(C)(=O)OC1CCC2(C)C([H])(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21C)=O
MCULE-8723675857	0.61	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](OC=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
MCULE-7081720222	0.61	COC([C@H]1C2C=CC(CC2)[C@H]1C(O)=O)=O
MCULE-9057361672	0.61	C12(C)CCC3(CC1=CCC1C2CCC2(C1CCC2O)C)OCCO3
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-6913740702	0.61	O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)([H])OC(C)=O
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-9650544498	0.61	[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)OC(=O)C
MCULE-4431617841	0.61	C1CC2(C)C3CCC4(C)C(C5COC(C(O)(C)C)C(O)C5)CCC4(C)C3=CCC2C(C)(C)C1=O
MCULE-4328068845	0.61	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=C[C@@H](OC)[C@@]2(O)C[C@H]1O
MCULE-4749657700	0.61	C12CC=C3CC(CCC3(C)C1CCC1(C)C(CCC21)(O)C=C)OC(=O)C
MCULE-5241313012	0.61	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O
MCULE-7787379653	0.61	C(/C)(\C)=C(/CO)\CCC(C)C
MCULE-8485688872	0.61	[H]C12C(C)(CC=CC1)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-4050950999	0.61	CC(CC1CC=CC1)(O)C
MCULE-4024786417	0.61	[H]C12C(C)(CC=CC1)C1(CCC3(C)C(C(C)CCC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-9153738942	0.61	C(CCCCC=CC(C)C)(O)=O
MCULE-9209606443	0.60	C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
MCULE-6409888378	0.60	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-3945869814	0.60	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-7150467746	0.60	O=C(C1CCCC=1)C1C2(CCOCC2)C1
MCULE-6283271359	0.60	[C@H]1(CCCCCCC(=O)OC)C(=O)C[C@@H](O)[C@@H]1C=CC[C@@](C)(O)CCCC
MCULE-9320911552	0.60	CCC(C(O)C(C(=O)C(C)/C=C(/CC(C(C(C(=O)OC)C)O)C)\C)C)C
MCULE-5765265358	0.60	CC1C(C(CC2CC=CC2)=O)CCOC1
MCULE-6919222464	0.60	CC(C=C(CC1COCC1)C)=O
MCULE-4231088257	0.60	C1CC2(C)C3CCC(C)(C=C)OC3(C)CCC2C(C)(C)C1O
MCULE-9740850124	0.60	O[C@@]1([C@]2([H])[C@@]([C@](CCC(=C2)C(C)C)(C)O)([H])CC1)C
MCULE-2093490960	0.60	C12(CO)COC(C(C(C)=CC1C)C2)C
MCULE-5059755813	0.60	C1(C)C2([H])C(O)([H])CCC2([H])C=1
MCULE-7644842099	0.60	NC1(CCOCC1)CC1CC=CC1
MCULE-9387071505	0.60	ClC1C(CCC2CCCCC=2)COC1
MCULE-4980717954	0.60	C1CC(C)(CC(O)=O)C(C)(CC(=O)O)CC=1
MCULE-4677858653	0.60	COC1C(C2(CC=CC2)CCl)CCC1
MCULE-9858556969	0.60	[C@]12([H])CC[C@@](C)(O)[C@]1([H])C=C(C(C)C)CCC2=C
MCULE-8351989618	0.60	C12(CO)COC(C(C(C)=CC1C)C2C)C
MCULE-2726581544	0.60	C(OCC1CC=CCC1C)(C)=O
MCULE-8132558478	0.60	COC1C(C2(CC=CC2)CBr)CCC1
MCULE-1346827294	0.60	C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)O[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)C1
MCULE-3949524970	0.60	C1=C(C(C)C)CC[C@@](C)(O)C2CC[C@](C)(O)C12
MCULE-5658893659	0.60	CC(C(C=CCCCCCC)O)C
MCULE-5041065055	0.60	[C@@]12([H])CC[C@@](O)(C)[C@@]1([H])C=C(C(C)C)CC[C@]2(O)C
MCULE-3296869529	0.60	C=C(C)[C@H]1CC[C@](O)(C)C=C1
MCULE-8446911928	0.60	CC1C(C)C(CC/C=C(\C)/C)(O)CO1
MCULE-6736349131	0.60	NCC1(CC=CC1)CC1COCC1
MCULE-8065883066	0.60	NC1(C2COCC2)CC=CCC1
MCULE-1804046736	0.60	O[C@@]1(CC[C@H](C(=C)C)C=C1)C
MCULE-1202438669	0.60	C1C=CCCC(C(O)=O)CC1
MCULE-6447644606	0.60	C12(C)CCCC(C)(C)C1CCC1(C)OC(C)(C=C)CCC12
MCULE-2740451288	0.60	CC(C=C(CC1CCCCC1)C)O
MCULE-7144382664	0.60	[C@H]12C(C)OC[C@](CO)(CC=C1C)C2
MCULE-6339969523	0.60	NC1(CC=CC1)CCC1COCC1
MCULE-3477150255	0.60	ClCC1(CC=CC1)CC1CCOCC1
MCULE-1300390053	0.60	ClCC1(CCOCC1)CC1CC=CC1
MCULE-5439205773	0.60	BrC1C(CCC2CCCCC=2)COC1
MCULE-2899244136	0.60	BrCC1(CCOCC1)CC1CC=CC1
MCULE-4079492365	0.60	C12(CO)COCC(C(C)=CC1C)C2C
MCULE-9878873681	0.60	C1C2OC2CCC1C=C
MCULE-4002345426	0.60	C1(CCCC(=CCC2C(C)(CCC2C(=C)C)CC1)C)C(=O)O
MCULE-3777711833	0.60	CC1OCC(CC/C=C(\C)/C)(O)CC1
MCULE-8526293555	0.60	C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C)CC(=O)OC
MCULE-2335433822	0.60	CCOC1CC/C(=C(\C#N)/C#N)/CC1
MCULE-5285146625	0.60	C1C[C@@](C=C[C@@H]1C(=C)C)(O)C
MCULE-3321159180	0.60	C12(CO)COC(C(C(C)=CC1C)C2C)CCCCCC
MCULE-8073715425	0.60	C1CC2(CO)COCC2(CO)CC=1
MCULE-2661732195	0.60	C12(CO)COC(C(C(C)=CC1C)C2C)CCC
MCULE-2488392484	0.60	[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC(C)=C2C(C)=O)[H]
MCULE-2170508823	0.60	C12C3C4C5C1C(C1C5C(C4CC3CC(O)=O)CC1CC(O)=O)C=C2
MCULE-8852979871	0.60	C1(C)(O)CC(CC=C1C)C(C)=C
MCULE-5419231657	0.60	C12(CO)COC(C(C(C)=CC1C)C2C)C(C)C
MCULE-8695225283	0.60	C1(C)(O)CCC(C(C)=C)C=C1
MCULE-6413909495	0.60	CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
MCULE-4627016962	0.60	C1(C)C(C(C)CC(C)=C1)C1OCC(CO1)C
MCULE-7401121675	0.60	CC(CO)=CCCC(CCO)C
MolPort-002-511-638	0.60	CCCCCCC1OC[C@]2(CO)C(C)C=C(C)[C@H]1C2C
MCULE-4776199100	0.60	C1(C)C(C(C)CC(C)=C1)C1OCC(CO1)(C)C
MolPort-002-511-690	0.60	CCCCCC1OC[C@]2(CO)C(C)C=C(C)[C@H]1C2C
MCULE-6070697606	0.60	C12(CO)COC(C(C(C)=CC1C)C2C)CCCCC
MolPort-002-512-157	0.60	CC1OC[C@]2(CO)C(C)C=C(C)[C@@H]1C2C
MCULE-1679369036	0.60	[C@@]1(C)(O)CC[C@@H](C(C)=C)C=C1
MolPort-002-509-147	0.60	CCCCC1OC[C@@]2(CO)C(C)C=C(C)C1[C@H]2C
MCULE-8309792579	0.60	C12C(C)OCC(CO)(CC=C1C)C2
MolPort-001-937-580	0.60	CCCC1OCC2(CO)C(C)C=C(C)C1C2C
MCULE-2262104065	0.60	CCCCCCC=C(C(O)C)C
MolPort-002-498-786	0.60	CC(=C)[C@@H]1CCC2(C)OC2C1
MCULE-4074739027	0.60	BrCC1(CC=CC1)CC1CCOCC1
MolPort-001-936-682	0.60	CC1(C)CCCC2(C)C1CCC1(C)OC(C)(CCC21)C=C
MCULE-4064327350	0.60	C12(C)CCC(CC1O2)C(C)=C
MolPort-003-959-979	0.60	CC(=C)C1CC=C(C)C(O)C1
MCULE-9513148820	0.60	O=C1C=C(CCC2OCCCC2)CCC1
MolPort-002-176-718	0.60	CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MCULE-9127530652	0.60	Cl.COC(C(CC1CC=CCC1)N)=O
MolPort-003-927-460	0.60	CC(=C)[C@@H]1CC=C(C)C(O)C1
MCULE-2336717713	0.60	C1(CCC2(C)OCCC(C)O2)C(C)(C)CCCC=1C
MolPort-000-743-884	0.60	CC1OCC2(CO)C(C)C=C(C)C1C2C
MCULE-5166611960	0.60	C/C(/C)=C/CCC1(COCCC1)O
MolPort-005-909-557	0.60	CC1CC(=C)[C@H]2C[C@H]1COC2C
MCULE-2897450703	0.60	C1(C(C)(C)CO)OCC2(CC1C(C)=CC2)CO
MolPort-001-937-577	0.60	CCCCCCC1OCC2(CO)C(C)C=C(C)C1C2C
MCULE-6789182985	0.60	[C@]12(CO)COC(C(C(C)=CC1C)[C@H]2C)CCCC
MolPort-001-757-202	0.60	COC(=O)C1CCC=CC1
MCULE-2197823344	0.60	[C@@]12([H])[C@@](C)(O1)CC[C@@H](C(C)=C)C2
MolPort-001-792-284	0.60	C=CC1CCC2OC2C1
MCULE-6263706719	0.60	CC(C1CCC(O)(C)C2CCC(O)(C)C2C=1)C
MolPort-001-840-675	0.60	CC(=O)OC1CCC2(C)[C@@H](CCC3C4CC=C(C(C)=O)C4(C)CCC23)C1
MCULE-7772727437	0.60	C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)[H]
MolPort-009-018-343	0.60	CCCCC(C)(O)C\C=C\[C@H]1C(O)CC(=O)C1CCCCCCC(=O)OC
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
MolPort-003-666-830	0.60	CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
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
MolPort-002-511-650	0.60	CC1OC[C@@]2(CO)C[C@@H]1C(C)=CC2C
MCULE-2384003351	0.60	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCCCCCCCC)=O)C)=O
MolPort-002-511-537	0.60	CC1C=C(C)[C@@H]2COC[C@@]1(CO)C2C
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
MolPort-003-849-235	0.60	CCCC[C@](C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
MCULE-9033649357	0.60	CCOC([C@@]1(CCC[C@@]2(C)[C@]1(CC=C1[C@@]2(CCC(C(C)C)=C1)[H])[H])C)=O
MolPort-004-747-807	0.60	CC(=C)[C@@H]1CC[C@@]2(C)O[C@H]2C1
MCULE-1044387998	0.60	C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)CCC5CCCC5)CCC4C3CCC2=C1
MolPort-002-506-984	0.60	C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
MCULE-9275277952	0.60	[C@]12(C)CCC3[C@@]([H])(CC=C4C=C(OC)CC[C@]34C)C1CC[C@]12CO1
MolPort-002-509-462	0.60	C[C@@H]([C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
MCULE-8274191901	0.60	[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
MolPort-004-285-983	0.60	CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MCULE-9246661061	0.60	C(C(=O)OC)C[C@]1(C)C2=CC[C@@]3([C@@]([H])([C@@H](CC/C=C(\C(O)=O)/C)C)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C
MolPort-002-506-869	0.60	C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34CO)C1CCC2=O
MCULE-5015030206	0.60	CCCCCCCCCCCCCCCCCCOC([C@]1(CC[C@@]2(C)[C@](C3=CC([C@]4([C@](CC[C@@]5([C@@]4(CC[C@](O)(C5(C)C)[H])C)[H])(C)[C@]3(C)CC2)[H])=O)(C1)[H])C)=O
MolPort-002-520-919	0.60	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CCC2O
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]
MolPort-001-942-603	0.60	CC1COC(OC1)C1C(C)CC(C)=CC1C
MCULE-5488659453	0.60	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CC)=O)C)=O
MolPort-007-560-884	0.60	CC1CC(C)=CC(C)C1C1OCC(C)(C)CO1
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
MolPort-002-131-802	0.60	CC1=CCC2(CO)COC(C1C2)C(C)(C)CO
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
MolPort-003-663-637	0.60	OC(=O)C1CCC\C=C/CC1
MCULE-8267556474	0.60	C12C3C(C)(CCC(C)(C3)C(=O)OC3CCCCC3C)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
MolPort-002-520-650	0.60	CC(=O)OC1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
MCULE-8277570953	0.60	C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC)=O
MolPort-002-506-965	0.60	CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
MCULE-5243784193	0.60	C(OCCCCCCCCCCCCCCCCCC)(=O)[C@@]1(C[C@@]2(C3=CC([C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC[C@]2(CC1)C)C)C)C(C)(C)[C@H](CC5)O)=O)[H])C
MolPort-002-507-166	0.60	CC(=C)C1CCC2(C)OC2C1
MCULE-8924549531	0.60	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
MolPort-002-530-021	0.60	CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
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
MolPort-001-937-581	0.60	CCCCCC1OCC2(CO)C(C)C=C(C)C1C2C
MCULE-9592082176	0.60	C12(C)CCC3(OCCO3)CC1=CCC1C2CCC2(C)C1CCC2OCCC
MolPort-002-508-914	0.60	CC(CC\C=C(/C)CCC1C(=C)CCC2C(C)(C)CCC[C@@]12C)OC(C)=O
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]
MolPort-002-509-363	0.60	CC1=CC[C@]2(CO)COC([C@H]1C2)C(C)(C)CO
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
MolPort-002-509-925	0.60	CC1OC[C@]2(CO)CC=C(C)[C@H]1C2
MCULE-3755877935	0.60	C12(C)CCC3C(CC=C4CC(CCC34C)OC(CC)=O)C1CCC2C(C)CCCC(C)C
MolPort-009-018-236	0.60	CCCCC(C)(O)C\C=C\[C@H]1C(O)CC(=O)[C@H]1CCCCCCC(=O)OC
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
MolPort-003-848-014	0.60	[2H]C([2H])([2H])C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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
MolPort-002-911-141	0.60	CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MCULE-2241145060	0.60	[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CC)=O
MolPort-006-069-150	0.60	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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
MolPort-002-911-148	0.60	CCC1=C2CCC3C4CC[C@](C)(O)C4(C)CCC3C2(C)CCC1=O
MCULE-7045925975	0.60	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCC(C)C)=O)C)=O
MolPort-005-944-839	0.60	C[C@@H]1CC[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CC\C(CO)=C\C(O)=O
MCULE-5866611081	0.60	[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(C)C)=O)C)=O
MolPort-002-526-688	0.60	C[C@]12CCC3[C@@H](CCC4=C[C@H](O)CC[C@]34C)C1CCC2=O
MCULE-3608441851	0.60	C12(C)CCC3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2OC(CCCCCCCCC)=O)[H]
MolPort-002-526-059	0.60	C[C@]1(O)CCC2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
MCULE-1853650577	0.60	C12(C)CC[C@@]3(C(CC=C4C[C@@]([H])(CCC34C)OC(C(C)C)=O)[C@@]1([H])CCC2C(C)CCCC(C)C)[H]
MolPort-002-524-878	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC(O)[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
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
MolPort-003-849-312	0.60	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
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
MolPort-002-507-282	0.60	CC1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MCULE-8698149631	0.60	[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2OC(CC)=O)C)OC(CC)=O
MolPort-006-111-348	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MCULE-4480469003	0.60	[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CC)CC1=CC2)[H]
MolPort-005-944-959	0.60	CC1(C)C(=O)CCC2C1=CCC1CC(C)(C=C)C(O)CC21C
MCULE-9082921986	0.60	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C=C(OC)CC[C@]34C)[C@]1([H])CC[C@]12CO1)[H]
MolPort-003-846-424	0.60	CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MCULE-9629198289	0.60	CC(C=C(CC1OCCC1)C)O
MolPort-006-111-052	0.60	C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-6725544420	0.60	C/C(/C)=C/CCC1(CCC2(OCCO2)CC1)O
MolPort-005-944-708	0.60	C[C@]12CCC[C@](C)(C1CCC1=CC(=O)CCC21)C(O)=O
MCULE-7507181537	0.60	[C@]12(CCC(=O)OC)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-002-800-539	0.60	CC12CCC3C(CCC4=CC(O)CCC34C)C1CCC2=O
MCULE-9867062303	0.60	OC1(CCC2(OCCO2)CC1)CC1CC=CC1
MolPort-002-911-071	0.60	C[C@@H]1CC2(C)C3CCC4(C)C(CC[C@]4(C)O)C3CCC2=CC1=O
MCULE-2911613762	0.60	[C@H]1(C[C@H]2C[C@@H]1C=C2)CC(O)=O
MolPort-005-937-958	0.60	C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
MCULE-7435319307	0.60	CC1(C(CC2CC=CCC2)O)C(F)C1
MolPort-002-911-080	0.60	C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
MCULE-6987071156	0.60	CC(CCC1(CC=CCC1)N)(O)C
MolPort-006-069-421	0.60	C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-1451433715	0.60	CC(CC1(CC=CCC1)N)(O)C
MolPort-002-911-151	0.60	C[C@]1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC12C
MCULE-8295119802	0.60	C1C(O)(C2(O)CC(C)(C)CC(C)=C2)CC(C)(C)CC=1C
MolPort-003-846-425	0.60	[2H]C1([2H])C[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@]2(CC)[C@]1(O)[13C]#[13CH]
MCULE-6627883036	0.60	CC(CCC1(CC=CCC1)N)O
MolPort-002-527-294	0.60	CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MCULE-9023631199	0.60	C(=C(/C)\C)/C1CC(C)CCO1
MolPort-002-521-548	0.60	C[C@@H]1C[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
MCULE-1642216097	0.60	C([H])(CCCCOC(C)=O)=C(CCCC)[H]
MolPort-002-526-836	0.60	C[C@]12CCC3[C@@H](CCC4=C3CCC(=O)C4)C1CCC2O
MCULE-5156544049	0.60	CC(C(C1(CC=CCC1)N)C)O
MolPort-004-956-486	0.60	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-003-657-290	0.60	CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2(O)C#C
MolPort-002-116-843	0.60	CC1CC2C3CCC4CC(O)CCC4(C)C3=CCC2(C)C1(O)C(C)=O
MolPort-001-798-161	0.60	CC(CCOC(=O)C(C)C)CCC=C(C)C
MolPort-001-785-932	0.60	CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-001-785-925	0.60	CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(O)=O
MolPort-001-742-412	0.60	CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O
MolPort-001-742-304	0.60	CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O
MolPort-001-741-118	0.60	C[C@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-001-740-467	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O
MolPort-001-740-352	0.60	C[C@@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-001-740-351	0.60	CC(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-000-831-717	0.60	C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-000-726-918	0.60	C[C@@H]1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O
MolPort-002-506-868	0.60	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MolPort-000-146-103	0.60	CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-507-137	0.60	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C
MolPort-019-936-837	0.60	CC(C)C1=CC2C(CC[C@]2(C)O)[C@](C)(O)CC1
MolPort-002-520-296	0.60	C[C@]12CC[C@H]3[C@@H](CC=C4CC(O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C
MolPort-046-693-157	0.60	CC1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]23)CC1=O
MolPort-046-793-369	0.60	[2H][C@@H]1C[C@H]2[C@H]3CC[C@@H]([C@@H](C)O)[C@@]3(C)CCC2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
MolPort-028-599-905	0.60	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-044-649-711	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-030-042-288	0.60	CC12CCC3C(CC=C4CC(O)CCC34CO)C1CCC2=O
MolPort-044-183-134	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
MolPort-042-675-461	0.60	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-035-705-939	0.60	CC1(C)[C@H](O)CC[C@@]2(C)[C@@H]3CC[C@@](C)(C=C3[C@@H](O)C[C@H]12)[C@@H](O)CO
MolPort-039-338-398	0.60	C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O
MolPort-039-338-353	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-039-338-302	0.60	C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
MolPort-035-706-386	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-035-706-388	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-035-706-389	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-038-386-656	0.60	CC1C(CCC(O)=O)C2CCCCC2=CC1=O
MolPort-035-785-285	0.60	C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-417-742	0.60	C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
MolPort-021-804-810	0.60	CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
MolPort-046-596-410	0.60	C[C@]1(O)CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
MolPort-046-693-069	0.60	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-002-507-387	0.60	C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-596-363	0.60	C[C@@H]1CC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-039-141-968	0.60	C[C@@]1(CO)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)O[C@@](C)(CC[C@H]21)C=C
MolPort-044-183-375	0.60	[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])\C=C/CCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(O)=O
MolPort-046-793-306	0.60	CCCCCCCCCC(=O)OCCC(C)CC\C=C(/C)CCC=C(C)C
MolPort-044-183-373	0.60	[2H]C([2H])(\C=C/CCCCCC)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC(CCCCCCCCCCCCC)CCCC(O)=O
MolPort-039-138-844	0.60	CCCCC(C)(O)C\C=C\[C@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
MolPort-046-763-157	0.60	CCCCC(C)(O)C\C=C\[C@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)OC
MolPort-039-052-652	0.60	C\C1=C/CC(C)(C)\C=C\C[C@@]2(C)O[C@H]2CC1
MolPort-046-765-240	0.60	CCCCCCCC\C=C\CCCCCCCC(=O)OCCO
MolPort-044-561-396	0.60	CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
MolPort-044-183-364	0.60	CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
MolPort-046-596-232	0.60	CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-596-387	0.60	CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-690-504	0.60	C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-691-031	0.60	[2H]C1([2H])C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1([2H])O
MolPort-046-596-323	0.60	CC(C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
MolPort-046-692-950	0.60	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-046-596-401	0.60	C[C@]12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2O
MolPort-044-755-246	0.60	CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-450	0.60	C[C@H]1[C@H](CO)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
MolPort-046-764-442	0.60	[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-046-764-565	0.60	C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-022-366-503	0.60	OC(=O)CC1CCC=CC1
MolPort-045-901-798	0.60	CC1OCC2(CO)CC1C(C)=CC2C
MolPort-045-902-993	0.60	CC1C=C(C)C2COCC1(CO)C2C
MolPort-046-067-638	0.60	C[C@H]1OC[C@@]2(CO1)C(C)CC(C)=CC2C
MolPort-046-067-708	0.60	CC(C)C1OCC2(CO)C(C)C=C(C)C1[C@H]2C
MolPort-046-067-721	0.60	CC1OCC2(CO)C(C)C=C(C)C1[C@@H]2C
MolPort-046-141-149	0.60	Cl.COC(=O)C(N)CC1CCC=CC1
MolPort-046-594-421	0.60	CC(C)C1=CC2C(CCC2(C)O)C(C)(O)CC1
MolPort-046-589-760	0.60	CCCCCCCC\C=C/CCCCCCC(O)C(O)=O
MolPort-046-423-336	0.60	CC1OCC2(CO1)C(C)CC(C)=CC2C
MolPort-020-181-353	0.60	CC1CCOC(C)(CCC2=C(C)CCCC2(C)C)O1
MolPort-028-754-239	0.60	CC(=C)[C@H]1CC[C@@](C)(O)C=C1
MolPort-023-332-900	0.60	CC(=C)[C@@H]1CC[C@](C)(O)C=C1
MolPort-002-512-678	0.60	C[C@@H]1CC2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-002-510-419	0.60	C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-002-510-407	0.60	C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-006-394-338	0.60	C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-9917637884	0.60	[C@]12(CO)CC[C@@H](CC1=CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)O
MolPort-044-722-443	0.60	CC(C)C1OCC2(CO)C(C)C=C(C)C1C2C
MCULE-5059257985	0.60	[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)=O)CC3)CC=2
MolPort-044-721-480	0.60	CC1OCC2(CO)CC=C(C)C1C2
MCULE-1472598487	0.60	C/C(/C)=C/CCC1(C#N)CCOCC1
MolPort-046-596-271	0.60	CC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC(C)=C(C(C)=O)[C@@]4(C)CCC23)C1
MCULE-1660040884	0.60	C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4)([H])[C@]1([H])CC[C@@]2(O)C
MolPort-019-997-276	0.60	C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O
MCULE-1780641937	0.60	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]
MolPort-046-762-735	0.60	[Na+].OS([O-])(=O)=O.CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-4464327459	0.60	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MolPort-021-783-255	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MCULE-9211922250	0.60	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
MolPort-020-005-953	0.60	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MCULE-2605863241	0.60	C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
MolPort-046-765-305	0.60	CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O
MCULE-4819154807	0.60	C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
MolPort-046-765-340	0.60	C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
MCULE-2653535248	0.60	C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
MolPort-046-765-469	0.60	C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC(=O)[C@]3(C)O)[C@@]2(C)CCC(=O)C=C12
MCULE-8155210029	0.60	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
MolPort-046-765-861	0.60	[2H][C@@H]1C[C@H]2[C@H]3CC[C@@H](C(C)O)[C@]3(C)CC[C@H]2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
MCULE-1294118086	0.60	[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)=O
MolPort-019-937-217	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
MCULE-7400696054	0.60	C12C3C4C5C1C=CC5C2C4C(C(O)=O)C3C(O)=O
MolPort-042-675-338	0.60	CC1(C)C(O)CCC2(C)C1CCC1(C)OC(C)(CCC21)C=C
MCULE-3141539281	0.60	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
MolPort-046-765-461	0.60	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC(=O)[C@@]2(C)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
MolPort-046-762-885	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@H]2C1)C(O)=O
MCULE-5063748511	0.60	C12CCC3=CC([C@H](C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MolPort-046-793-201	0.60	C[C@]12CC[C@H]3[C@@H](CCC4=C[13C](=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MCULE-5007460671	0.60	NC1(CC=CC1)CC1(COC1)CO
MolPort-019-937-078	0.60	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MCULE-5685325143	0.60	C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CCC2C(CO)=O)[H]
MolPort-039-052-288	0.60	CC(C)C1=C[C@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1
MCULE-3333652397	0.60	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2O)C)=O
MolPort-035-706-248	0.60	CC(C)C1=C[C@@H]2[C@H](CC[C@@]2(C)O)C(=C)CC1
MCULE-2671029853	0.60	[C@@]12([H])CC[C@H]([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MolPort-046-508-765	0.60	OC(=O)C[C@H]1CCC=CC1
MCULE-3503711899	0.60	[C@]12(CC)CC([C@]3([H])[C@@]4([H])CCCC=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(O)C#C)=C
MolPort-002-511-500	0.60	CCCC1OC[C@]2(CO)C(C)C=C(C)[C@H]1C2C
MCULE-3614931522	0.60	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-9071849084	0.60	C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CC(C)C2(O)C(C)=O)[H]
MCULE-1591105974	0.60	C12(CO)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)O
MCULE-8259872102	0.60	C(C)(C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-6301076627	0.60	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(C)=O)[H]
MCULE-9131674305	0.60	O=C1CCC2(C)C3CCC4(C)C(CO)CCC4C3CCC2=C1
MCULE-1990275167	0.60	C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-3800481886	0.60	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-2021409134	0.60	CC=CCC(C1CCOCC1)N
MCULE-1657159254	0.60	[C@@]12(C)[C@@H](O)CC[C@@]1([H])[C@]1([C@@]([H])([C@H]3CCC(C=C3CC1)=O)CC2)[H]
MCULE-9876206397	0.60	O=C(OCCC(C)CC/C=C(\C)/C)C(C)C
MCULE-6557448423	0.60	C12CC[C@@](O)(C)C1(C)CCC1C3CCC(=O)CC=3CCC21
MCULE-5274452426	0.60	[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-9605275825	0.60	C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2(O)C#C)C)O
MCULE-3841271177	0.60	C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2
MCULE-7633761938	0.60	C(O)(C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)=O
MCULE-4275950574	0.60	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)C(O)=O
MCULE-3946245376	0.60	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(C)O)C)=O
MCULE-1602610126	0.60	CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CC=C32)CC1
MCULE-4241274271	0.60	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-8721567365	0.60	[C@@]12(C)C(O)CC[C@@]1([H])[C@]1([C@@]([H])(C3CCC(C=C3CC1)=O)CC2)[H]
MCULE-2299251979	0.60	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-1065645853	0.60	[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2(C)O)C)=O
MCULE-8839521124	0.60	C/C(/C)=C/CC(C1CCOCC1)N
MCULE-1455068472	0.60	C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1
MCULE-9504992977	0.60	CC[C@@]12[C@](O)(C#C)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1C(=C)C2)CCCC=3
MCULE-5773428311	0.60	C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
MCULE-3700780696	0.60	C12(C)CCC(O)CC1=CCC1C3C(C)(CC(O)(C#C)C3)CCC12
MCULE-1067283755	0.60	C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-5390747778	0.60	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(O)=O)[H]
MCULE-7998597001	0.60	C[C@H]1[C@H]2[C@H]3[C@](C)(CC[C@@H]2[C@@H]2C(=CC(CC2)=O)C1)[C@](O)(C)CC3
MCULE-2675118265	0.60	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-2313378449	0.60	C(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-9460712409	0.60	C(OCCC(C)CC/C=C(\C)/C)(CC)=O
MCULE-8083797224	0.60	C/C(/C)=C/CCC1(COCC1)O
MCULE-5603568076	0.60	[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@]2(O)C#C)C)O

---