Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MolPort-002-507-612	1	CC(=C)[C@@H]1CC=C(C)C(=O)C1
MolPort-002-506-968	1	CC(=C)C1CC=C(C)C(=O)C1
MolPort-001-769-671	1	CC(=C)[C@H]1CC=C(C)C(=O)C1
MolPort-046-147-057	0.97	CC(=C)[C@H]1CC(C)=C(C)C(=O)C1
MolPort-046-147-057	0.97	CC(=C)[C@H]1CC(C)=C(C)C(=O)C1
MolPort-002-506-993	0.91	CC(=C)[C@H]1CCC(C=O)=CC1
MCULE-6860848752	0.91	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC4OC(C)(C)C=CC=4C=3)CC(=O)C2=C(O)C=1
MolPort-044-727-244	0.89	CC1(C)CCCC(=C)C11CCC(C=O)=CC1
MolPort-046-594-365	0.89	CC(=C)C1CCC2(C)CCC(=O)C(C)=C2C1
MolPort-044-727-244	0.89	CC1(C)CCCC(=C)C11CCC(C=O)=CC1
MolPort-020-005-765	0.89	CC(=C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1
MolPort-046-594-365	0.89	CC(=C)C1CCC2(C)CCC(=O)C(C)=C2C1
MolPort-020-005-765	0.89	CC(=C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1
MolPort-003-931-189	0.88	CC1=CC(C)(C)CCC1=O
MolPort-019-997-258	0.88	CC(C)C1CC=C(C)C(=O)C1
MolPort-019-997-258	0.88	CC(C)C1CC=C(C)C(=O)C1
MolPort-002-507-478	0.86	C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(C)=C
MCULE-7271133303	0.86	C1(OC)C(/C=C/C(O)(C)C)=C2OC(C3C=CC=CC=3)CC(=O)C2=CC=1
MolPort-006-115-641	0.85	CCCC1CC(C)=CC(=O)C1
MolPort-046-158-507	0.85	C[C@@H](CCC=C(C)C)[C@H]1CCC(C)=CC1=O
MolPort-006-110-398	0.85	CC(C)C1CCC(C)=CC1=O
MolPort-046-025-087	0.85	CCC1=CCCCC1=O
MolPort-046-774-142	0.85	CCC1CC=CC(=O)C1
MolPort-000-716-292	0.85	CC1CC(C)=CCC1\C=C\C(C)=O
MolPort-000-787-941	0.85	CC1CC(C)=CC(C)C1\C=C\C(C)=O
MolPort-002-506-951	0.85	CCC[C@@H]1CC(C)=CC(=O)C1
MolPort-046-158-507	0.85	C[C@@H](CCC=C(C)C)[C@H]1CCC(C)=CC1=O
MolPort-046-774-142	0.85	CCC1CC=CC(=O)C1
MolPort-046-025-087	0.85	CCC1=CCCCC1=O
MCULE-8605141998	0.85	C1(OC)C(/C=C/C(O)(C)C)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1
MolPort-046-793-097	0.84	CC(=O)[C@H]1CC=C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-793-097	0.84	CC(=O)[C@H]1CC=C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-2650174810	0.84	O(C)C1=C(C=C([C@H]2OC3C(C(=O)C2)=C(C=C(C=3)O)O)C=C1C/C=C(\C)/C)C/C=C(\C)/C
MCULE-6612299602	0.84	C1(O)C=C2O[C@H](C3C=CC(OC)=C(C/C=C(\C)/C)C=3)CC(=O)C2=C(O)C=1
MolPort-001-790-211	0.83	O=C1CCC2CCCCC2=C1
MolPort-038-386-020	0.83	CC(CC(=O)C=C(C)C)C1CCC(C)=CC1=O
MolPort-046-600-627	0.83	CC(=O)CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C
MolPort-035-706-207	0.83	CC(C)[C@H]1[C@H]2C=C(C)C(=O)C[C@H]2[C@H](C)CC1=O
MolPort-002-506-958	0.83	CC(=O)C1C(=O)C=C(C)CC1(C)C
MolPort-002-746-923	0.83	CC(=O)C1CC=C(C)C(=O)C1
MolPort-046-774-258	0.83	O=C1CCC2(CCCCCC2)C=C1
MolPort-020-173-604	0.83	O=C1CCC2(CCCCC2)C=C1
MolPort-019-992-002	0.83	O=C1CCC2(CCCC2)C=C1
MolPort-039-052-668	0.83	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-000-706-765	0.83	CC1=CC(=O)C2CC1C2(C)C
MolPort-002-511-291	0.83	CC(C)C1CC(=O)C=C2CCCCC12
MolPort-044-832-300	0.83	CC1(C)[C@@H]2C[C@H]1C(=O)C=C2
MolPort-000-146-079	0.83	CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
MolPort-039-052-668	0.83	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-046-774-258	0.83	O=C1CCC2(CCCCCC2)C=C1
MolPort-044-832-300	0.83	CC1(C)[C@@H]2C[C@H]1C(=O)C=C2
MolPort-019-992-002	0.83	O=C1CCC2(CCCC2)C=C1
MolPort-020-173-604	0.83	O=C1CCC2(CCCCC2)C=C1
MolPort-038-386-020	0.83	CC(CC(=O)C=C(C)C)C1CCC(C)=CC1=O
MolPort-046-600-627	0.83	CC(=O)CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C
MolPort-035-706-207	0.83	CC(C)[C@H]1[C@H]2C=C(C)C(=O)C[C@H]2[C@H](C)CC1=O
MCULE-9485581712	0.83	C1(O)C=C2C(C(CC(C3C=CC(O)=C(C/C=C(\C)/C)C=3)O2)=O)=C(O)C=1
MolPort-042-620-286	0.82	CC1CCC(=O)C=C1
MolPort-035-921-888	0.82	CC1(C)CCC=CC1=O
MolPort-042-624-003	0.82	CC1CC=CC(=O)C1
MolPort-022-056-577	0.82	CCC1=CC(=O)CCC1
MolPort-002-498-166	0.82	CC1(C)CCC(=O)C=C1
MolPort-046-792-980	0.82	CCCCCC\C=C1\CCCC1=O
MolPort-001-781-871	0.82	CC1=CCCCC1=O
MolPort-004-831-228	0.82	C\C=C\C(=O)C1C(C)C=CCC1(C)C
MolPort-044-623-113	0.82	CCC1CCC(=O)C=C1
MolPort-003-846-085	0.82	[2H]C([2H])([2H])C1=C(C=O)C(C)(C)CCC1([2H])[2H]
MolPort-027-949-819	0.82	CCC1(CC)CCC(=O)C=C1
MolPort-001-794-308	0.82	CC1=C(C=O)C(C)(C)CCC1
MolPort-006-111-488	0.82	CC(C)C1CCC(=O)C=C1
MolPort-001-781-500	0.82	CC1CC(C)=CC(=O)C1
MolPort-044-615-516	0.82	CC(C)(C)C1CCC(=O)C=C1
MolPort-022-878-843	0.82	CC1CCC=CC1=O
MolPort-000-701-433	0.82	CC1=CC(=O)CC(C)(C)C1
MolPort-023-197-958	0.82	CCC1(C)CCC(=O)C=C1
MolPort-009-680-198	0.82	CC1(C)CC=CC(=O)C1
MolPort-042-620-286	0.82	CC1CCC(=O)C=C1
MolPort-044-615-516	0.82	CC(C)(C)C1CCC(=O)C=C1
MolPort-046-792-980	0.82	CCCCCC\C=C1\CCCC1=O
MolPort-042-624-003	0.82	CC1CC=CC(=O)C1
MolPort-044-623-113	0.82	CCC1CCC(=O)C=C1
MolPort-022-056-577	0.82	CCC1=CC(=O)CCC1
MolPort-027-949-819	0.82	CCC1(CC)CCC(=O)C=C1
MolPort-035-921-888	0.82	CC1(C)CCC=CC1=O
MolPort-023-197-958	0.82	CCC1(C)CCC(=O)C=C1
MolPort-022-878-843	0.82	CC1CCC=CC1=O
MCULE-4551144105	0.82	C1(O)C=C2C(C(CC(C3C=CC(O)=C(C/C=C(/C)\C)C=3)O2)=O)=CC=1
MCULE-3686350370	0.82	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=C(C/C=C(/C)\C)C(O)=CC=3)CC(=O)C2=C(O)C=1
MolPort-023-274-272	0.81	CCC(\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-035-757-683	0.81	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-002-506-935	0.81	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-046-596-417	0.81	CC1CC2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-023-298-999	0.81	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-688-566	0.81	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC=C2
MolPort-002-517-271	0.81	C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2=O
MolPort-002-706-878	0.81	CC(=O)C12CC(C)=C(C)CC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
MolPort-019-994-121	0.81	CCC12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-046-690-449	0.81	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=C
MolPort-002-527-029	0.81	CC1C[C@H]2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-002-526-176	0.81	CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-793-263	0.81	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=C1CCCCC1
MolPort-000-730-189	0.81	CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-019-990-215	0.81	CC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-000-146-137	0.81	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-019-940-196	0.81	CC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1(C)C(C)=O
MolPort-044-652-024	0.81	CC(=O)C1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-003-958-950	0.81	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-023-276-307	0.81	CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-941-496	0.81	C\C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-052-425	0.81	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-002-509-205	0.81	C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
MolPort-002-524-345	0.81	CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-003-892-348	0.81	CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-785-926	0.81	CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-035-706-382	0.81	CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-044-728-843	0.81	CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C
MolPort-003-847-259	0.81	CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-001-740-063	0.81	CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-019-940-196	0.81	CC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1(C)C(C)=O
MolPort-001-794-643	0.81	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-509-923	0.81	CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
MolPort-003-849-979	0.81	[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-046-765-458	0.81	CC[C@H](\C=C\[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-035-706-382	0.81	CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-002-511-077	0.81	C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-046-596-417	0.81	CC1CC2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-039-052-425	0.81	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-019-990-215	0.81	CC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-046-688-566	0.81	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC=C2
MolPort-046-765-458	0.81	CC[C@H](\C=C\[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-023-274-272	0.81	CCC(\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-035-757-683	0.81	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-023-276-307	0.81	CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-023-298-999	0.81	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-044-652-024	0.81	CC(=O)C1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-044-728-843	0.81	CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C
MolPort-023-299-008	0.81	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
MCULE-1679439172	0.81	C1C(O)=C2C(C[C@H](C3=CC=CC=C3)OC2=C2C=CC(C)(C)OC2=1)=O
MolPort-046-690-449	0.81	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=C
MCULE-7192747858	0.81	C12C(=O)CC(C3C=CC=CC=3)OC1=C1C=CC(C)(C)OC1=CC=2OC
MolPort-046-793-263	0.81	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=C1CCCCC1
MCULE-4067098142	0.81	C12C(=C(O)C=CC=1C(=O)C[C@@H](C1C=CC(O)=C(C/C=C(/C)\C)C=1)O2)C/C=C(\C)/C
MolPort-019-994-121	0.81	CCC12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MCULE-1785374409	0.81	C12OC(C)(C)C=CC=1C=C1C(=O)C[C@@H](C3C=CC(O)=CC=3)OC1=C2
MolPort-023-299-008	0.81	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
MCULE-1583442011	0.81	C1(O)C(C/C=C(/C)\C)=C2O[C@H](C3C=C(C/C=C(/C)\C)C(O)=C(C/C=C(\C)/C)C=3)CC(=O)C2=CC=1
MCULE-9287060270	0.81	C1C(OC)=C2C(C[C@H](C3=CC=CC=C3)OC2=C2C=CC(C)(C)OC2=1)=O
MolPort-005-909-357	0.80	CC(C)=CCCC1=CCC(C)(CC1)C=O
MolPort-002-799-486	0.80	CC(=C)C[C@]12CCC(=O)C=C1CCCC2=O
MCULE-7018809823	0.80	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C
MolPort-001-790-618	0.80	CC1(C)C2CC1C(C=O)=CC2
MCULE-7506688119	0.80	C12C(=O)CC(OC1=CC(=C(C/C=C(/C)\C)C=2O)O)C1=CC=C(C=C1)OC
MolPort-000-724-948	0.80	CC1CC(CCC=C(C)C)=CCC1C=O
MCULE-1883133712	0.80	C12C(=O)CC(OC1=CC(=C(C/C=C(/C)\C)C=2O)O)C1C=CC=CC=1
MolPort-002-513-687	0.80	CC1=C(CC2C(CCCC2(C)C)C1)C=O
MCULE-1448234011	0.80	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C
MolPort-022-367-867	0.80	CC1(C)CC(=O)C=C(C1)C=O
MCULE-8750784705	0.80	C12C(=O)C[C@H](OC=1C=C(C(C/C=C(/C)\C)=C2O)O)C1C=CC=CC=1
MolPort-006-126-764	0.80	CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C
MolPort-000-829-390	0.80	CC1CC(CCC=C(C)C)=CCC1(C)C(C)=O
MolPort-013-791-457	0.80	O=C(C1CCCCC1)C1=CCCCC1
MolPort-002-512-842	0.80	CC1=CCC23CC1C(=O)C=C2CC(C)(C)CC3=O
MolPort-001-794-306	0.80	CC1(C)[C@@H]2C[C@H]1C(C=O)=CC2
MolPort-022-367-867	0.80	CC1(C)CC(=O)C=C(C1)C=O
MolPort-046-691-388	0.80	C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C=O
MolPort-046-691-388	0.80	C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C=O
MCULE-1825001608	0.79	C1(O)C(C/C=C(/C)\C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(OC)C=1
MCULE-9858151978	0.79	C12C(C/C=C(/C)\C)=C(O)C=C(O)C=1C(CC(C1=CC=CC=C1)O2)=O
MCULE-5659982548	0.79	[C@H]1(C2=CC=C(O)C=C2)OC2=CC(O)=C(C/C=C(\C)/C)C=C2C(=O)C1
MCULE-4652067575	0.79	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=CC=1C/C=C(\C)/C
MCULE-1693566586	0.79	C12C(C/C=C(/C)\C)=C(O)C=C(O)C=1C(C[C@@H](C1=CC=CC=C1)O2)=O
MCULE-9052045784	0.79	C1(OC)C(C/C=C(\C)/C)=C2C(C(=O)C[C@H](O2)C2C=CC=CC=2)=C(C=1)OC
MCULE-5729797705	0.79	C12OC(CC(=O)C=1C(OC)=CC(O)=C2C/C=C(\C)/C)C1C=CC(O)=CC=1
MCULE-9919244870	0.79	C1(C2OC3C(C/C=C(\C)/C)=C(O)C=C(O)C=3C(C2)=O)=CC=C(O)C=C1
MolPort-016-579-165	0.79	O=C\C1=C\CCCCCC1
MCULE-3842882003	0.79	OC1C=CC([C@H]2OC3C(C(=O)C2)=CC(C/C=C(\C)/C)=C(OC)C=3)=CC=1
MolPort-016-634-464	0.79	CC1=CC(=O)C2C3CC(C=C3)C2C1=O
MCULE-3002934523	0.79	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MolPort-002-509-201	0.79	CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
MCULE-3864605326	0.79	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MolPort-002-911-134	0.79	CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2=O
MCULE-1880910154	0.79	[C@H]1(C2=CC=C(O)C=C2)OC2=CC(OC)=C(C/C=C(\C)/C)C=C2C(=O)C1
MolPort-001-781-465	0.79	CC(=O)C1=CCCCC1
MolPort-004-960-127	0.79	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
MolPort-001-793-302	0.79	CC1=CC(=O)CCC1
MolPort-002-537-209	0.79	CC(=O)C1=C/CCCCCCCCCC\1
MolPort-046-792-981	0.79	CCCCC\C=C1\CCCC1=O
MolPort-003-179-188	0.79	CC1=CC2(C)CC1C1C2C(=O)C=CC1=O
MolPort-002-070-296	0.79	C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-792-981	0.79	CCCCC\C=C1\CCCC1=O
MCULE-3021933663	0.78	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=CC=1
MCULE-4617683717	0.78	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C(O)=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-3802090242	0.78	C1(O)C=C2O[C@H](C3C=CC4OC(C)(CC/C=C(\C)/C)C=CC=4C=3O)CC(=O)C2=C(O)C=1
MCULE-2753066142	0.78	C1(OC2C(=CC=CC=2)C(=O)C1=CC1C=CC=CC=1OC)C1=CC=CC=C1
MolPort-046-674-170	0.78	O=C1CC2(CCC2)C=C1
MolPort-022-257-993	0.78	O=C1CC2CCCCCC2=C1
MolPort-039-338-118	0.78	C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-044-723-195	0.78	C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]12C
MolPort-023-298-997	0.78	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-691-486	0.78	CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-679-062	0.78	C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-022-257-993	0.78	O=C1CC2CCCCCC2=C1
MolPort-046-203-126	0.78	O=C1CC2(CCCCC2)C=C1
MolPort-046-646-770	0.78	O=C1CC2(CCCCCC2)C=C1
MolPort-003-913-461	0.78	O=C1CC2CCCCC2=C1
MolPort-002-506-988	0.78	CC1=CC(=O)CC(C)(C)C1=O
MolPort-046-508-800	0.78	O=C1CC2(CCCC2)C=C1
MolPort-046-674-170	0.78	O=C1CC2(CCC2)C=C1
MolPort-023-298-997	0.78	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-203-126	0.78	O=C1CC2(CCCCC2)C=C1
MolPort-039-338-118	0.78	C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-046-508-800	0.78	O=C1CC2(CCCC2)C=C1
MolPort-035-679-062	0.78	C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-691-486	0.78	CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-723-195	0.78	C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]12C
MolPort-046-646-770	0.78	O=C1CC2(CCCCCC2)C=C1
MCULE-7617295584	0.77	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C(O)=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-9646906067	0.77	C1(O)C=C2O[C@H](C3C(O)=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/C
MolPort-020-858-906	0.77	O=CC1=CCCCCC1
MolPort-000-722-317	0.77	CCCCCC\C=C1/CCCCC1=O
MolPort-020-858-906	0.77	O=CC1=CCCCCC1
MolPort-003-926-743	0.77	O=C1CCCCC=C1
MolPort-000-811-412	0.77	CCCCC(CC)\C=C1\CCCCC1=O
MolPort-001-767-980	0.77	CC1C(C)C(=O)C(C)=C1C
MolPort-001-817-194	0.77	CCCCC(CC)\C=C1/CCCCC1=O
MCULE-7387956277	0.76	C1(=CC2=CC=C(C=C2)OCC)C(C2C=CC=CC=2)OC2C(=CC=CC=2)C1=O
MCULE-9325410253	0.76	C1(O)C=C2OC(C3C=C(C/C=C(\C)/C)C(O)=C(C/C=C(\C)/CC/C=C(\C)/C)C=3O)CC(=O)C2=C(O)C=1
MCULE-8872050190	0.76	C12OC(C)(C)C=CC1=C1OC(C3C=CC(O)=CC=3)C(O)C(=O)C1=C(O)C=2
MCULE-5802239646	0.76	C1(O)C=C2OC(C3C=CC(O)=C(C/C=C(\C)/CC/C=C(\C)/C)C=3O)CC(=O)C2=C(O)C=1
MCULE-4558837172	0.76	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C/C=C(\C)/CC/C=C(\C)/C
MCULE-5633707092	0.76	C1(C(=O)C=CC2C=CC=CC=2)=CC2CCC(C3C=CC=CC=3)OC=2C=C1O
MCULE-7997155475	0.76	C1(O)C=C2O[C@H](C3C=C(C/C=C(\C)/C)C(O)=C(C/C=C(\C)/C)C=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-5794123076	0.76	C1(O)C=C2OC(C3C(O)=CC(O)=C(C/C=C(\C)/CC/C=C(\C)/C)C=3)CC(=O)C2=C(O)C=1
MCULE-1848012489	0.76	C/C(=C\CCC(=C(CC1C(O)=CC(O)=C(C2OC3C(=C(C=C(C=3)O)O)C(=O)C2)C=1)[H])C)/C
MCULE-8473479842	0.76	OC1C(C/C=C(\C)/C)=CC(=CC=1OC)C1OC2C(C(=O)C1)=C(C=C(C=2)O)O
MCULE-3419627251	0.76	COC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)C=C1
MolPort-027-836-194	0.76	CCCCC\C=C(\CCCC)C=O
MolPort-046-765-408	0.76	C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@H]1[C@@H]1C[C@@H]1C2=O
MolPort-046-589-601	0.76	CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
MolPort-001-794-216	0.76	O=CC1=CCCCC1
MolPort-046-589-601	0.76	CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
MolPort-002-879-590	0.76	CC1=CC(=O)C2CC1C(C)=CC2=O
MolPort-027-836-194	0.76	CCCCC\C=C(\CCCC)C=O
MolPort-001-760-005	0.76	O=C1CCCC=C1
MolPort-002-537-951	0.76	CC(C)CC(=O)\C=C\CC(C)CC(C)(C)C
MolPort-000-855-076	0.76	C\C=C\C(=O)C1C(C)=CCCC1(C)C
MolPort-001-766-682	0.76	CC1=CCCC(C)(C)C1\C=C\C(=O)CCC=C
MolPort-001-787-631	0.76	CC(C)=C1CCC(C)=CC1=O
MolPort-046-765-408	0.76	C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@H]1[C@@H]1C[C@@H]1C2=O
MolPort-000-733-785	0.76	CC(C)\C=C\C(=O)CC\C=C(/C)CCC=C(C)C
MCULE-8739063782	0.75	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(OC)=C(O)C=3)CC(=O)C2=C(O)C=1
MCULE-6924983703	0.75	C12C(=O)C[C@H](OC=1C(=C(OC)C(C/C=C(\C)/C)=C2OC)C/C=C(\C)/C)C1C(OC)=CC(=CC=1OC)OC
MolPort-001-790-818	0.75	CCCCCC1=CCCC1=O
MolPort-002-509-716	0.75	O.O=C1[C@@H](C[C@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
MolPort-023-331-417	0.75	CCC12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CCC2=O
MolPort-000-837-794	0.75	CCCCCCC1=CCCC1=O
MolPort-003-925-033	0.75	CCCCCC1=C(C)CCC1=O
MolPort-005-944-505	0.75	C\C(CCC1C(C)=CC(=O)CC1(C)C)=C/CO
MolPort-002-512-272	0.75	O=C1[C@@H](C[C@@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
MolPort-023-331-417	0.75	CCC12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CCC2=O
MolPort-000-739-604	0.74	O=C1CCCC1=C1CCCC1
MolPort-023-299-007	0.74	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
MolPort-028-603-498	0.74	CC(C)C\C=C1\CCCCC1=O
MolPort-046-790-393	0.74	CC(C)=C1C[C@H]2C(=C)CCC[C@]2(C)CC1=O
MolPort-042-620-773	0.74	CC(=O)C1CCC(C)=C(C)C1
MolPort-035-706-243	0.74	CC(C)[C@@H]1CC\C(C)=C\CCC(=C)CC1=O
MolPort-028-610-103	0.74	C\C(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)=C/C(O)=O
MolPort-029-001-358	0.74	CC(=O)C1CCC=CC1
MolPort-001-956-819	0.74	CC1C=C(C)CCC1C=O
MolPort-000-701-866	0.74	CCCC\C=C1/CCCC1=O
MolPort-002-506-941	0.74	CCCC\C=C1\CCCC1=O
MolPort-008-348-849	0.74	CC(C)C\C=C1/CCCCC1=O
MolPort-029-001-358	0.74	CC(=O)C1CCC=CC1
MolPort-028-603-498	0.74	CC(C)C\C=C1\CCCCC1=O
MolPort-003-895-994	0.74	CC(=O)C1CCC(C)=CC1
MolPort-000-745-819	0.74	CC1CC(C)=CC(C)C1C=O
MolPort-046-790-393	0.74	CC(C)=C1C[C@H]2C(=C)CCC[C@]2(C)CC1=O
MolPort-000-729-513	0.74	CC1CC2=C(CC1C=O)C(C)(C)CCC2
MolPort-002-506-991	0.74	CC1CC2=C(CC1(C)C(C)=O)C(C)(C)CCC2
MolPort-035-706-243	0.74	CC(C)[C@@H]1CC\C(C)=C\CCC(=C)CC1=O
MolPort-002-507-391	0.74	C\C=C\C(=O)C1=C(C)CCCC1(C)C
MolPort-042-620-773	0.74	CC(=O)C1CCC(C)=C(C)C1
MolPort-028-610-103	0.74	C\C(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)=C/C(O)=O
MCULE-7566435001	0.74	C12OC(C)(CC/C=C(\C)/C)C=CC=1C(O)=C1C(=O)C[C@@H](C3C=CC(O)=CC=3O)OC1=C2
MCULE-3703285153	0.74	C1(O)C=C2O[C@H](C3C(O)=C(C/C=C(\C)/C)C(O)=C(C/C=C(\C)/C)C=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-8543094201	0.74	CC(C1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)C=C1)(C)C
MCULE-9462328387	0.74	C1(C2OC3C(=C(OC(C)=O)C=C(C=3C/C=C(\C)/C)OC(C)=O)C(=O)C2)=CC=CC=C1
MCULE-8951441724	0.74	C1(OC2C(=CC=CC=2)C(=O)C1=CC1C=CC(C)=CC=1)C1=CC=CC=C1
MCULE-2163904316	0.74	C1(O)C=C2C(C(CC(C3=CC(OC)=C(O)C=C3)O2)=O)=C(C=1C/C=C(\C)/C)O
MCULE-6522469168	0.74	C1(OC2C(=CC=CC=2)C(=O)C1=CC1=CC=C(C(C)C)C=C1)C1C=CC=CC=1
MCULE-8169575133	0.74	C12C(C/C=C(/C)\C)=C(OC(C)=O)C=C(OC(C)=O)C=1C(C[C@@H](C1C=CC=CC=1)O2)=O
MolPort-023-299-007	0.74	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
MolPort-002-559-654	0.74	CC1CC(C)=CC(C)[C@@H]1C=O
MolPort-021-804-809	0.73	CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
MolPort-021-804-809	0.73	CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
MolPort-046-682-009	0.73	CC1=CCC2(CC1=O)C(=C)CCC(Br)C2(C)C
MolPort-004-959-640	0.73	C[C@]12CCC(=O)C=C1CCC2=O
MolPort-002-904-272	0.73	CC12CCC(=O)C=C1CCC2=O
MolPort-002-915-849	0.73	O=C1C=CC(=O)C(CCC2=CC(=O)C=CC2=O)=C1
MolPort-035-706-199	0.73	C[C@@H]1CC(=O)C([C@H]2C=C(C)C(=O)C[C@@H]12)=C(C)C
MolPort-046-682-009	0.73	CC1=CCC2(CC1=O)C(=C)CCC(Br)C2(C)C
MolPort-035-706-199	0.73	C[C@@H]1CC(=O)C([C@H]2C=C(C)C(=O)C[C@@H]12)=C(C)C
MolPort-002-894-037	0.73	CC1=CC(=O)C(CCC2=CC(=O)C(C)=CC2=O)=CC1=O
MolPort-006-666-093	0.73	C[C@@]12CCC(=O)C=C1CCC2=O
MCULE-6289326811	0.73	C1(=CC2=CC=C(C=C2)C)C([H])(C2C=CC(=CC=2)C)OC2C(=CC=CC=2)C1=O
MCULE-1308533169	0.73	BrC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)C=C1
MCULE-3549650498	0.73	FC(OC1=C(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)C=CC=C1)F
MCULE-1539908631	0.73	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-2477194296	0.73	OC1=CC(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)=CC=C1
MCULE-3335674808	0.73	OC1C=CC([C@@H]2OC3C(C(=O)[C@H]2O)=C(O)C=C(O)C=3C/C=C(\C)/C)=CC=1
MCULE-6997931016	0.73	C1(O)C(C/C=C(\CC/C=C(\C)/C)/C)=C2O[C@H](C3C=CC(O)=CC=3O)CC(=O)C2=C(O)C=1
MCULE-8139621595	0.73	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(OC)C=1
MolPort-044-183-126	0.72	CCCCCC(=O)CC[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
MolPort-042-665-810	0.72	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C=C)[C@H]3CC[C@]12C
MolPort-035-757-790	0.72	CC(=O)C1CC2CCC1C=C2
MolPort-046-702-932	0.72	CCCCC1=CCCC1=O
MolPort-042-620-890	0.72	O=C[C@@H]1C[C@H]2CC[C@@H]1C=C2
MolPort-046-149-617	0.72	O=C1CC2C=CCCC12
MolPort-046-646-759	0.72	O=C1C=CCC11CCCCC1
MolPort-044-651-729	0.72	O=CC1CC2CCC1C=C2
MolPort-020-173-637	0.72	CC1=CC2CC(C1)CC(=O)C2
MolPort-006-822-493	0.72	CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C=O
MolPort-002-799-483	0.72	CC(=O)CC[C@]1(C#N)[C@H](CC=C(C)C1=O)C(C)=C
MolPort-046-702-932	0.72	CCCCC1=CCCC1=O
MolPort-002-054-253	0.72	CC1=C2CCCC(=O)[C@@]2(C)CCC1=O
MolPort-016-584-574	0.72	CCCC12CCC(=O)C=C1CCCC2=O
MolPort-001-781-972	0.72	CC12CCC(=O)C=C1CCCC2=O
MolPort-042-665-810	0.72	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C=C)[C@H]3CC[C@]12C
MolPort-001-767-705	0.72	C[C@]12CCC(=O)C=C1CCCC2=O
MolPort-035-757-790	0.72	CC(=O)C1CC2CCC1C=C2
MolPort-020-173-637	0.72	CC1=CC2CC(C1)CC(=O)C2
MolPort-001-767-082	0.72	CCCCC1=C(C)CCC1=O
MolPort-044-651-729	0.72	O=CC1CC2CCC1C=C2
MolPort-046-646-759	0.72	O=C1C=CCC11CCCCC1
MolPort-046-149-617	0.72	O=C1CC2C=CCCC12
MolPort-042-620-890	0.72	O=C[C@@H]1C[C@H]2CC[C@@H]1C=C2
MolPort-044-183-126	0.72	CCCCCC(=O)CC[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
MCULE-6547704795	0.72	FC(OC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)C=C1)F
MCULE-5598930304	0.72	C1(=CC2C=CC(=CC=2)Br)C(C2C=CC(=CC=2)Br)OC2C(=CC=CC=2)C1=O
MCULE-8162303332	0.72	C1(O)C(C[C@H](C(=C)C)C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3O)CC(=O)C2=C(O)C=1C/C=C(/C)\C
MCULE-4810068413	0.72	C1(O)C(C/C=C(\C)/C)=C2OC(C3C=CC4OC(C)(C)C(O)C(O)C=4C=3)CC(=O)C2=CC=1
MCULE-9060318559	0.72	COC1=C(O)C(OC)=CC(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)=C1
MCULE-5381175396	0.72	O=C1C2=C(C=CC=C2)OC(C2=CC=CC=C2)C1=CC1=CC=C(C2=CC=CC=C2)C=C1
MCULE-6273466258	0.72	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1C/C=C(\C)/C
MCULE-3548967760	0.72	COC1=CC(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)=CC=C1
MCULE-9761922574	0.72	COC(C1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)C=C1)=O
MolPort-006-118-512	0.71	CC(=O)C=CC1CCCCC1
MolPort-039-242-760	0.71	CC(=O)\C=C\C1CCCCC1
MolPort-001-792-446	0.71	CC1CC=CCC1C=O
MolPort-003-985-986	0.71	CC1CC(=O)C=C1C
MolPort-003-721-207	0.71	CC(=O)CCC1=C(C)CCCC1(C)C
MolPort-001-791-806	0.71	O=CC1CCC=CC1
MolPort-005-938-309	0.71	C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-000-740-021	0.71	CC1CC(C)=CCC1C=O
MolPort-002-507-663	0.71	CC(C)\C=C1\CCCCC1=O
MolPort-046-674-687	0.71	O=C1CC2CC=CCC2C1
MolPort-019-922-772	0.71	CC1=C(C)CC(CC1)C=O
MolPort-002-509-695	0.71	CC(=O)CC\C=C(\C)CCC1C(C)=CCC2C(C)(C)CCC[C@]12C
MolPort-009-018-267	0.71	CCCCCC(=O)\C=C/C=O
MolPort-000-719-788	0.71	CC(C)\C=C1/CCCCC1=O
MolPort-002-560-310	0.71	CC1=CCC(CC1)C=O
MolPort-039-338-117	0.71	C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-000-725-665	0.71	CC1CC(C)=C(C)CC1C=O
MolPort-046-761-018	0.71	C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-002-512-003	0.71	C[C@H]1CC(C)=C(C)C[C@H]1C=O
MolPort-044-388-915	0.71	CC(=O)CCC=C(C)CCC1C(C)=CCC2C(C)(C)CCCC12C
MolPort-019-937-181	0.71	CC1CCC2C(=CC(=O)CC2(C)C)C1(C)CC\C(C)=C/C(O)=O
MolPort-001-740-973	0.71	C[C@@]1(CCC2=C(C1)C(=O)CC1[C@@](C)(CCC[C@]21C)C(O)=O)C=C
MolPort-023-298-990	0.71	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-720-719	0.71	O=C1C(CCC1=C1CCCC1)=C1CCCC1
MolPort-035-706-531	0.71	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-042-675-343	0.71	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-002-521-192	0.71	C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C=O)C1CCC2=O
MolPort-001-836-053	0.71	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=O)C1CCC2=O
MolPort-044-623-130	0.71	CC(C)CC1=CC(C)CC1=O
MolPort-001-793-612	0.71	CC1=C(C)CC(C)(CC1)C=O
MolPort-023-298-990	0.71	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2=C3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-242-760	0.71	CC(=O)\C=C\C1CCCCC1
MolPort-035-706-531	0.71	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-042-675-343	0.71	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-046-674-687	0.71	O=C1CC2CC=CCC2C1
MolPort-019-922-772	0.71	CC1=C(C)CC(CC1)C=O
MolPort-044-388-915	0.71	CC(=O)CCC=C(C)CCC1C(C)=CCC2C(C)(C)CCCC12C
MolPort-019-937-181	0.71	CC1CCC2C(=CC(=O)CC2(C)C)C1(C)CC\C(C)=C/C(O)=O
MolPort-044-623-130	0.71	CC(C)CC1=CC(C)CC1=O
MolPort-046-761-018	0.71	C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-039-338-117	0.71	C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MCULE-5001672302	0.71	C1(C)C(O)=C2C(CC(OC2=C(C)C=1O)C1C=CC(O)=CC=1)=O
MCULE-9291403689	0.71	C1(OC2C(=CC=CC=2)C(=O)C1=CC1C=CC(Cl)=CC=1)C1C=CC=CC=1
MCULE-6580599773	0.71	C1(O)C(C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C
MCULE-9439004515	0.71	C12C(O)=CC(=CC=1OC(CC2=O)C1C=CC(=CC=1)OC)O
MCULE-7104867839	0.71	C1(C)C(O)=C2C(CC(OC2=CC=1O)C1C=CC(O)=CC=1)=O
MCULE-4107309014	0.71	C1(OC)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C
MCULE-6964743359	0.71	C12C(O)=CC(=CC=1O[C@@H](CC2=O)C1C=CC(=CC=1)OC)O
MCULE-3254872691	0.70	C12C(O)=CC(=CC=1O[C@H](CC2=O)C1C=CC(=CC=1)O)O
MCULE-5489217450	0.70	C12C(O)=CC(=CC=1OC(CC2=O)C1C=CC(=CC=1)O)O
MCULE-4547911471	0.70	C1(OC)C(C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1C
MCULE-1297538743	0.70	C1(OC)C=C2O[C@@H](CC(=O)C2=C(O)C=1)C1C=CC(O)=CC=1
MCULE-2855478624	0.70	C1(O)C=C2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C2=C(OC)C=1
MCULE-3240859900	0.70	C1(OC)C=C2OC(CC(=O)C2=C(O)C=1)C1C=CC(O)=CC=1
MCULE-7258052902	0.70	C1(OC)C=C2O[C@@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-8068976578	0.70	C12C(OC)=CC(=CC=1OC(CC2=O)C1C=CC(=CC=1)O)OC
MCULE-5052743999	0.70	O=C1C2C(=CC(=CC=2OC(C2C=CC=CC=2)C1)OC)O
MCULE-8779680207	0.70	COC(C1=CC=C(COC2=C(C=C3C(=O)C4=C(C=CC=C4)OC3)C=CC=C2)C=C1)=O
MCULE-1272280425	0.70	C12C(=O)CC(OC=1C=C(OC)C(C)=C2O)C1C=CC=CC=1
MCULE-8195585327	0.70	C1(O)C(C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-8498690406	0.70	COC1=CC(OC)=CC2=C1C(=O)CC(C1=CC=C(OC)C=C1)O2
MCULE-4005429744	0.70	C1C(=O)C2=C(O)C=C(O)C=C2O[C@@H]1C1C=CC(O)=CC=1
MCULE-5852778653	0.70	C12C(O)=CC(=CC=1O[C@H](CC2=O)C1C=CC(=CC=1)O)O
MCULE-2751219272	0.70	FC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)C=C1
MolPort-035-765-998	0.70	O=CC1C[C@@H]2C[C@H]1C=C2
MolPort-046-693-675	0.70	CC(=C)[C@H]1C[C@H](C#N)[C@@]2(C)CCC(=O)C=C2C1
MolPort-046-790-504	0.70	CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
MolPort-046-693-675	0.70	CC(=C)[C@H]1C[C@H](C#N)[C@@]2(C)CCC(=O)C=C2C1
MolPort-044-755-206	0.70	C[C@]12CC[C@H]3[C@@H](C=C[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-042-676-343	0.70	O=CC1CC2CC1C=C2
MolPort-001-793-711	0.70	CC(=O)C1C[C@@H]2C[C@H]1C=C2
MolPort-035-765-998	0.70	O=CC1C[C@@H]2C[C@H]1C=C2
MolPort-002-507-754	0.70	CC(=O)C1CC2CC1C=C2
MolPort-000-157-846	0.70	O=CC1CC2CC1C=C2
MolPort-004-964-914	0.70	CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-001-742-062	0.70	CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
MolPort-027-717-889	0.70	CC(=C)CCCC(C)=CC=O
MolPort-002-507-367	0.70	CC(=C)CCC\C(C)=C/C=O
MolPort-002-501-613	0.70	CC(C)=CCC\C(C)=C\CC\C(C)=C\C=O
MolPort-003-928-807	0.70	CCCCC\C=C\C(C)=O
MolPort-002-564-238	0.70	CC(C)=CCC\C(C)=C\CC(C)(C)\C=C\C(C)=O
MolPort-046-697-152	0.70	C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](C(=C)C1)C(=O)C=C23)C(O)=O
MolPort-046-790-504	0.70	CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
MolPort-046-790-505	0.70	C[C@H]1CC(=O)C=C2CC[C@H](C[C@]12C)C(=C)C(O)=O
MolPort-044-755-206	0.70	C[C@]12CC[C@H]3[C@@H](C=C[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-790-505	0.70	C[C@H]1CC(=O)C=C2CC[C@H](C[C@]12C)C(=C)C(O)=O
MolPort-027-717-889	0.70	CC(=C)CCCC(C)=CC=O
MolPort-046-697-152	0.70	C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](C(=C)C1)C(=O)C=C23)C(O)=O
MolPort-042-676-343	0.70	O=CC1CC2CC1C=C2
MCULE-7196504979	0.70	C1(OC)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-6062655870	0.70	C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C(O)=CC(O)=C(OC)C=3)CC(=O)C2=C(O)C=1
MCULE-2527326110	0.70	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-1090625056	0.70	O[C@@H]1[C@@H](C2=CC=C(O)C=C2)OC2C(=C(C(C/C=C(\C)/CC/C=C(\C)/C)=C(O)C=2)O)C1=O
MCULE-2862082028	0.70	C1(OC)C=C2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C2=C(O)C=1
MCULE-9022426858	0.70	C1(O)C=C2OC(C3C(C/C=C(/C)\C)=C(O)C(O)=C(C/C=C(\C)/C)C=3)CC(=O)C2=C(O)C=1
MCULE-1231893585	0.70	C1(OC)C=C2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C2=C(OC)C=1
MCULE-5568899063	0.70	FC(C1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)C=C1)(F)F
MCULE-8940151651	0.70	O=C1C2=C(C=CC=C2)OCC1=CC1=CC=C(OCC2=CC=CC=C2)C=C1
MCULE-2337043419	0.69	C12C=C(C=CC=1C(CC(C1=CC=CC=C1)O2)=O)O
MCULE-8726416131	0.69	C1(O)C=C2O[C@@H](C3C=CC=CC=3)CC(=O)C2=CC=1
MCULE-4073644190	0.69	ClC1=C(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)C=CC=C1
MCULE-5518545651	0.69	O=C1C2=C(C=CC=C2)OC(C2=CC=CC=C2)C1=CC1=CC2=C(OCCO2)C=C1
MCULE-8604836333	0.69	C12OC(C)(C)CCC1=C1O[C@H](C3C=CC=CC=3)CC(=O)C1=C(O)C=2
MCULE-6490114516	0.69	FC1=CC(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)=CC=C1
MCULE-2648300001	0.69	C1=CC2=C(OC1(C)C)C(C(CC(=O)O)CCC)=C(O)C1=C2O[C@H](C)[C@H](C)C1=O
MCULE-5637234780	0.69	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=CC=1
MCULE-9332914030	0.69	C12C=C(OC)C=CC=1C(CC(C1C=CC=CC=1)O2)=O
MCULE-8523283829	0.69	C1=CC2=C(OC1(C)C)C(C(CC(=O)O)CCC)=C1OC(C)C(C)C(=O)C1=C2O
MCULE-6631561492	0.69	C1C(=O)C2C(=CC(O)=CC=2O)O[C@@H]1C1C=CC=CC=1
MCULE-2064774552	0.69	OC1C=CC(C2OC3=CC(O)=CC=C3C(=O)C2)=CC=1
MCULE-7233709477	0.69	C12C(=O)CC(OC=1C(=C(O)C(C)=C2O)C=O)C1=CC=CC=C1
MCULE-4427780251	0.69	C12=C(C)C(OC)=CC(O)=C1C(CC(C1C=CC=CC=1)O2)=O
MCULE-6753110271	0.69	C12=C(C)C(O)=CC(O)=C1C(C[C@@H](C1C=CC=CC=1)O2)=O
MCULE-9302131889	0.69	C1(O)C=C2OC(C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-7275500281	0.69	C1(OC)C=C2OC(CC(C2=C(OC)C=1)=O)C1C=CC=CC=1
MCULE-6698275589	0.69	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(OC)C=1
MCULE-9865914914	0.69	C1(O)C=C2OC(CC(C2=C(OC)C=1)=O)C1C=CC(O)=CC=1
MCULE-4827438323	0.69	C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1CC1C(O)=CC=CC=1
MCULE-9370973230	0.69	C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-9073834674	0.69	C12C(O)=C(C/C=C(/C)\C)C3=C(C=CC(C)(C)O3)C=1OCC(C1C=CC(=CC=1)O)C2=O
MCULE-5306878717	0.69	C12=CC(O)=CC=C1C(=O)C[C@@]([H])(C1C=CC(=CC=1)O)O2
MCULE-6392513488	0.69	C1(O)C=C2O[C@H](C3C=CC(O)=C(C/C=C(\C)/C)C=3)CCC2=CC=1
MolPort-001-740-351	0.69	CC(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-000-146-103	0.69	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-029-511-203	0.69	O=C1CCC2=C1CCC2
MolPort-003-849-312	0.69	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
MolPort-005-944-708	0.69	C[C@]12CCC[C@](C)(C1CCC1=CC(=O)CCC21)C(O)=O
MolPort-046-765-469	0.69	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
MolPort-046-765-305	0.69	CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O
MolPort-002-520-919	0.69	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CCC2O
MolPort-002-911-080	0.69	C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
MolPort-001-742-412	0.69	CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O
MolPort-039-338-302	0.69	C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
MolPort-046-765-461	0.69	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC(=O)[C@@]2(C)O
MolPort-002-527-294	0.69	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-046-690-504	0.69	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	0.69	[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-002-911-148	0.69	CCC1=C2CCC3C4CC[C@](C)(O)C4(C)CCC3C2(C)CCC1=O
MolPort-019-997-276	0.69	C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O
MolPort-046-765-861	0.69	[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
MolPort-002-507-387	0.69	C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-740-574	0.69	CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C/C(O)=O
MolPort-046-693-157	0.69	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-001-742-304	0.69	CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O
MolPort-001-740-352	0.69	C[C@@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-002-911-071	0.69	C[C@@H]1CC2(C)C3CCC4(C)C(CC[C@]4(C)O)C3CCC2=CC1=O
MolPort-046-764-442	0.69	[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-001-741-118	0.69	C[C@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-046-765-340	0.69	C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-005-937-958	0.69	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
MolPort-006-111-052	0.69	C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-793-369	0.69	[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-046-417-742	0.69	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-004-285-983	0.69	CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-002-507-282	0.69	CC1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-596-387	0.69	CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-596-410	0.69	C[C@]1(O)CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
MolPort-002-526-059	0.69	C[C@]1(O)CCC2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
MolPort-046-793-201	0.69	C[C@]12CC[C@H]3[C@@H](CCC4=C[13C](=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-039-338-398	0.69	C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O
MolPort-038-386-656	0.69	CC1C(CCC(O)=O)C2CCCCC2=CC1=O
MolPort-046-693-157	0.69	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-019-997-276	0.69	C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O
MolPort-046-764-442	0.69	[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-046-765-305	0.69	CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O
MolPort-046-596-410	0.69	C[C@]1(O)CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
MolPort-046-765-340	0.69	C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-046-765-461	0.69	C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC(=O)[C@@]2(C)O
MolPort-046-765-469	0.69	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
MolPort-046-765-861	0.69	[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
MolPort-046-793-201	0.69	C[C@]12CC[C@H]3[C@@H](CCC4=C[13C](=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-046-596-387	0.69	CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-793-369	0.69	[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-038-386-656	0.69	CC1C(CCC(O)=O)C2CCCCC2=CC1=O
MolPort-046-417-742	0.69	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-035-706-300	0.69	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-691-031	0.69	[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-046-690-504	0.69	C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-338-398	0.69	C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O
MolPort-019-936-770	0.69	CC(=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3
MolPort-002-911-141	0.69	CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-003-929-044	0.69	CC\C=C/CC1=C(C)CCC1=O
MolPort-002-514-318	0.69	CC\C=C\CC1=C(C)CCC1=O
MolPort-001-834-902	0.69	O=C1C(CCCC1=C1CCCCC1)=C1CCCCC1
MolPort-006-111-428	0.69	CCC=CCC1=C(C)CCC1=O
MolPort-002-510-659	0.69	CC(=O)[C@H]1CCC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-035-706-300	0.69	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-039-338-302	0.69	C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
MolPort-029-511-203	0.69	O=C1CCC2=C1CCC2
MolPort-006-069-421	0.69	C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-052-487	0.69	CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
MolPort-039-052-597	0.69	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]5CC[C@@]34C)[C@@H]2C1
MolPort-027-640-633	0.69	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]5CC[C@@]34C)=C2C1
MolPort-035-706-169	0.69	CC(C)CC(=O)\C=C(/C)[C@@H]1CCC(=CC1)C(O)=O
MolPort-001-785-932	0.69	CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-019-936-770	0.69	CC(=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3
MolPort-006-668-526	0.69	CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C\C(O)=O
MolPort-000-834-214	0.69	CC(=O)CC\C=C(/C)CCC1C(=C)CCC2C(C)(C)CCCC12C
MolPort-035-706-169	0.69	CC(C)CC(=O)\C=C(/C)[C@@H]1CCC(=CC1)C(O)=O
MolPort-039-052-597	0.69	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]5CC[C@@]34C)[C@@H]2C1
MolPort-027-640-633	0.69	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]5CC[C@@]34C)=C2C1
MolPort-002-510-272	0.69	CC(=O)\C=C\CC1[C@H]2CC[C@H](C2)C1(C)C
MolPort-039-052-487	0.69	CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
MolPort-003-922-566	0.69	O=C1CCCCC\C=C/CC1
MolPort-000-738-187	0.69	CC(=O)CC\C=C(/C)CCC1C(=C)CCC2C(C)(C)CCC[C@@]12C
MolPort-005-936-020	0.69	C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O
MolPort-002-911-143	0.69	C[C@]1(O)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
MolPort-006-118-969	0.69	CC(=C)C1CCC(=CC1)C(O)=O
MolPort-002-513-837	0.69	CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1C1C3C(=O)C=CC1=O
MCULE-7842380240	0.68	C(C1C(O)=C(CC2C(O)=CC=CC=2)C(O)=C2C=1O[C@H](C1C=CC=CC=1)CC2=O)C1=C(O)C=CC=C1
MCULE-2675786989	0.68	C1(O)C=C(OC)C(C(=O)/C=C/C2C=CC=CC=2)=C(O)C=1[C@@H]1C2C(OC)=CC(O)=C(OC)C=2O[C@@H](C2C=CC=CC=2)C1
MCULE-4861471900	0.68	ClC1=C(Cl)C=C(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)C=C1
MCULE-9971709157	0.68	C1(OC2C(=CC=CC=2)C(=O)C1=CC1=CC=C(N(C)C)C=C1)C1C=CC=CC=1
MCULE-7442958115	0.68	OC1C=CC(C2OC3C(C(=O)C2)=C(O)C=C(O)C=3)=C(O)C=1
MCULE-8084114235	0.68	[C@H]1(C2=CC=CC=C2)OC2=CC(O)=CC(OC)=C2C(=O)C1
MCULE-7826903505	0.68	C1(O)C=C2OC(C3C=CC=CC=3)CC(C2=C(OC)C=1)=O
MCULE-1829138480	0.68	COC1=CC(OC)=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MCULE-6883287083	0.68	CSC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)C=C1
MCULE-4293231024	0.68	C12=C(C=CC3C(CC(C)(C)OC1=3)=O)OC(CC2C1COC2=C(C=CC=C2)C=1)=O
MCULE-4312206710	0.68	ClC1=CC(Cl)=C(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)C=C1
MCULE-6305563775	0.68	C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1
MCULE-4345374473	0.68	C12OC(C)(C)CCC=1C(O)=C(C(=O)/C=C/C1C=CC(O)=CC=1)C=C2
MCULE-7259979801	0.68	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3O)CC(=O)C2=C(O)C=1
MCULE-6234375391	0.68	C12OC(C)(C)C=CC1=C1OCC(C3C=CC(O)=CC=3O)C(=O)C1=C(O)C=2C/C=C(\C)/C
MolPort-046-761-472	0.68	[2H]C([2H])([2H])C(=O)C1([2H])CC[C@H]2[C@@H]3C=CC4=CC(=O)C([2H])([2H])C[C@@]4(C)[C@@H]3CC[C@]12C
MolPort-002-706-538	0.68	C\C(=C\C(=O)C1CC1)C1CC1
MolPort-022-880-989	0.68	O=C1CCCCCCC\C=C/CCCCCCC1
MolPort-006-131-526	0.68	CCCC\C=C/CCCCCCCCCCCC=O
MolPort-003-928-545	0.68	CCCC\C=C/CCCCCCCCCC=O
MolPort-039-338-609	0.68	CC1CC(=O)C(CC=C1CCC(C)=O)=C(C)C
MolPort-039-338-609	0.68	CC1CC(=O)C(CC=C1CCC(C)=O)=C(C)C
MolPort-022-880-989	0.68	O=C1CCCCCCC\C=C/CCCCCCC1
MolPort-045-998-145	0.68	O=C1C=CC(=O)C11CCCCC1
MolPort-046-762-739	0.68	CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-042-675-448	0.68	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CCC1C2(C)CCC2C(C)(C)C(=O)C=CC12C
MolPort-044-755-198	0.68	C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-790-350	0.68	C[C@@H]1CC(=O)C=C2C=C[C@@H]3[C@@H](C3(C)C)[C@@]12C
MolPort-044-755-191	0.68	C[C@@]12CCC[C@H]1[C@H]1[C@H](CC2)[C@@]2(C)CCC=CC2=CC1=O
MolPort-009-681-959	0.68	CC(=O)C=C1CCCCC1
MolPort-038-900-529	0.68	C=CC(=O)C1=CCCC1
MolPort-006-133-633	0.68	CCCCCC\C=C/CCCCCC=O
MolPort-005-940-416	0.68	CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C
MolPort-005-940-383	0.68	CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-755-191	0.68	C[C@@]12CCC[C@H]1[C@H]1[C@H](CC2)[C@@]2(C)CCC=CC2=CC1=O
MolPort-000-830-001	0.68	C\C(C=O)=C/CC1=C(C)CCCC1(C)C
MolPort-002-558-775	0.68	CC(=O)C1C(=O)[C@@H]2CC(C)=C(C)C[C@]2(C)C1=O
MolPort-038-900-529	0.68	C=CC(=O)C1=CCCC1
MolPort-002-511-910	0.68	C\C(C=O)=C\CC1=C(C)CCCC1(C)C
MolPort-000-145-914	0.68	CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C
MolPort-045-998-145	0.68	O=C1C=CC(=O)C11CCCCC1
MolPort-002-915-854	0.68	CC1=CC(=O)C(CCCC2=CC(=O)C=CC2=O)=CC1=O
MolPort-046-790-350	0.68	C[C@@H]1CC(=O)C=C2C=C[C@@H]3[C@@H](C3(C)C)[C@@]12C
MolPort-002-524-276	0.68	CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-042-675-448	0.68	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CCC1C2(C)CCC2C(C)(C)C(=O)C=CC12C
MolPort-044-755-198	0.68	C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-762-739	0.68	CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-006-111-894	0.68	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-761-472	0.68	[2H]C([2H])([2H])C(=O)C1([2H])CC[C@H]2[C@@H]3C=CC4=CC(=O)C([2H])([2H])C[C@@]4(C)[C@@H]3CC[C@]12C
MolPort-020-007-892	0.67	C[C@]12CC[C@H]3[C@@H](CCC4CC=CC[C@]34C)[C@@H]1CCC2=O
MolPort-001-782-985	0.67	CC(=C)C1CCC(C)=CC1
MolPort-002-904-212	0.67	O=C1C2[C@H]3C[C@H](C=C3)C2C(=O)C2[C@H]3C[C@H](C=C3)C12
MolPort-027-835-865	0.67	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-002-911-107	0.67	CC12CCC3C(CCC4=CCCCC34)C1CCC2=O
MolPort-006-114-412	0.67	CCCCCCC=CC=O
MolPort-003-927-778	0.67	CC(=C)[C@H]1CCC(C)=CC1
MolPort-003-929-714	0.67	CCCCCCC\C=C\C=O
MolPort-003-960-116	0.67	CCCCCCCC\C=C\C=O
MolPort-005-932-642	0.67	C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-762-776	0.67	[2H]C1=C(C)CC([2H])([2H])C(C(C)=C)C1([2H])[2H]
MolPort-046-762-299	0.67	C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CC=CC[C@]34C)[C@H]1CCC2=O
MolPort-006-394-264	0.67	CCCCCCCCCCCCC\C=C\C=O
MolPort-042-694-235	0.67	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C1C=CCC[C@]31C
MolPort-044-649-596	0.67	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[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-001-788-520	0.67	O=C1C2C3CC(C=C3)C2C(=O)C2C3CC(C=C3)C12
MolPort-002-507-004	0.67	CC(C)CC(=O)\C=C\C(C)C
MolPort-002-507-206	0.67	CC(=C)[C@@H]1CCC(C)=CC1
MolPort-039-339-172	0.67	C[C@@H]1CC[C@@]2(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]2[C@H]1C)C(O)=O
MolPort-001-742-450	0.67	C[C@H]1CC[C@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(O)=O
MolPort-019-857-808	0.67	CC12CCC3C(C)(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
MolPort-039-138-901	0.67	C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-027-835-537	0.67	CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-000-772-330	0.67	CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-006-394-855	0.67	[2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-001-742-443	0.67	CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C
MolPort-008-155-613	0.67	CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
MolPort-005-938-470	0.67	CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-008-322-980	0.67	CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O
MolPort-000-739-076	0.67	C[C@H]1CC2C3CC[C@](O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
MolPort-005-945-648	0.67	CC(C)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
MolPort-005-934-866	0.67	C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-000-738-106	0.67	CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-002-510-661	0.67	CC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-785-920	0.67	CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(O)=O
MolPort-001-742-604	0.67	CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-002-530-358	0.67	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-002-526-228	0.67	C[C@H]1C[C@H]2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-002-524-552	0.67	CC1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
MolPort-003-666-072	0.67	CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-002-507-411	0.67	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C=C
MolPort-002-507-146	0.67	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-507-130	0.67	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-044-183-250	0.67	C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-027-641-344	0.67	CC\C=C/C[C@H]1[C@@H](CCCCCC(O)=O)C=CC1=O
MolPort-046-596-275	0.67	C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-023-274-284	0.67	CC\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)C=CC1=O
MolPort-046-793-264	0.67	CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
MolPort-023-220-126	0.67	CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-035-706-198	0.67	CC(C)[C@@H]1[C@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
MolPort-035-681-549	0.67	C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-690-133	0.67	[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@](O)(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-005-932-301	0.67	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MolPort-046-690-137	0.67	CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-764-826	0.67	[2H]C1=C2C([2H])([2H])C[C@@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC([2H])([2H])C1=O
MCULE-9197350217	0.67	C1(O)C=C2O[C@H](C3C(O)=CC=CC=3O)CC(=O)C2=C(O)C=1
MolPort-019-940-199	0.67	CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MCULE-6674323180	0.67	C12=CC(OC)=CC=C1C(=O)CC(C1=CC=C(C=C1)C(O)=O)O2
MolPort-039-141-884	0.67	C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@](C)(O)CO
MCULE-8939875451	0.67	C1(O)C=C2O[C@]([H])(C3C=CC(OC)=CC=3)[C@]([H])([C@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MolPort-039-141-882	0.67	C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@@](C)(O)CO
MCULE-6668187578	0.67	C(C1C(O)=CC(O)=C2C=1O[C@H](C1C=CC=CC=1)CC2=O)C1=C(O)C=CC=C1
MolPort-039-062-015	0.67	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MCULE-8187448800	0.67	C1(OC)C=C(O)C(C(=O)/C=C/C2C=CC=CC=2)=C(O)C=1[C@@H]1C2C(OC)=CC(O)=C(OC)C=2O[C@@H](C2C=CC=CC=2)C1
MolPort-007-980-884	0.67	CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MCULE-2028448851	0.67	C1(O)C=C2O[C@@H](CC(=O)C2=C(O)C=1)C1C=CC(OC)=C(O)C=1
MolPort-023-219-645	0.67	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2C(O)=O
MCULE-9396529091	0.67	C1(O)C=C2OC(CC(=O)C2=C(O)C=1)C1C=CC(OC)=C(O)C=1
MolPort-001-837-773	0.67	CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C=C
MCULE-4928479927	0.67	C1(OC)C=C2O[C@H](C3C=C(O)C(O)=CC=3)CC(=O)C2=C(O)C=1
MolPort-044-183-250	0.67	C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-2236290715	0.67	C12=C(O)C=C(O)C=C1O[C@H](CC2=O)C1=CC=C(OC)C(O)=C1
MolPort-039-062-015	0.67	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MCULE-7395593675	0.67	C1(C=CC(=CC=1OCC1=CC=CC=C1)OCC1C=CC=CC=1)C(=O)C=CC1C=CC=CC=1OC
MolPort-046-690-137	0.67	CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-9044534531	0.67	C12C(O)=CC(O)=CC=1OC(CC2=O)C1C=CC(OC)=C(O)C=1
MolPort-042-694-235	0.67	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C1C=CCC[C@]31C
MCULE-6647372730	0.67	C(=C(/C)\C)\CC1C(=C2C(OC(C)C(C)C2=O)=C(C(CC(=O)O)CCC)C=1OC)O
MolPort-020-007-892	0.67	C[C@]12CC[C@H]3[C@@H](CCC4CC=CC[C@]34C)[C@@H]1CCC2=O
MCULE-7318403846	0.67	ClC1=C(Cl)C(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)=CC=C1
MolPort-022-370-462	0.67	C\C(CC\C=C(/C)C=O)=C/C=O
MCULE-2899844706	0.67	C1(COC2=C(C=CC(OC)=C2)C1=O)=CC1=CC=C(C=C1)C
MolPort-046-596-343	0.67	C[C@]12CCC3C(CC[C@H]4CC=CC[C@]34C)C1CCC2=O
MCULE-3613127722	0.67	O(C)C1=CC=C(C2OC3C(C(=O)C2C2C(OC4C(C2=O)=C(O)C=C(O)C=4)C2C=CC(O)=CC=2)=C(O)C=C(C=3)O)C=C1
MolPort-044-649-596	0.67	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[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
MCULE-5464922569	0.67	C1(=CC=CC=C1OCC1=CC=CC=C1)C(=O)C(C(=O)OCC)=CC1=CC=CC=C1
MolPort-046-762-299	0.67	C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CC=CC[C@]34C)[C@H]1CCC2=O
MCULE-9288187645	0.67	O=N(C1=CC(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)=CC=C1)=O
MolPort-046-691-372	0.67	CC(C)=CCCC(=C)[C@H]1CCC(C)=CC1
MCULE-1018595313	0.67	O(C)C1C=CC(C2OC3C(C(=O)C2C2C(OC4C(C2=O)=C(O)C=C(O)C=4)C2C=CC(OC)=CC=2)=C(O)C=C(O)C=3)=CC=1
MolPort-039-339-172	0.67	C[C@@H]1CC[C@@]2(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]2[C@H]1C)C(O)=O
MCULE-2703837005	0.67	C1(OC)C=C2OC(CC(C2=C(O)C=1)=O)C1C=CC(O)=C(O)C=1
MolPort-044-637-435	0.67	C[C@@H](\C=C/C=C(C)C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H](C(=O)C=C3C)\C(C=O)=C/C[C@@H]12
MCULE-7035873579	0.67	C1(O)C=C2OC/C(=C\C3C=CC(O)=CC=3)/C(=O)C2=C(O)C=1
MolPort-039-141-882	0.67	C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@@](C)(O)CO
MCULE-3807486761	0.67	C1(OC)C=C2OC/C(=C\C3C=CC(O)=CC=3)/C(=O)C2=C(O)C=1
MolPort-039-138-901	0.67	C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MCULE-7103143686	0.67	C1(OC(=O)C)C=C2O[C@H](C3C=CC(OC(=O)C)=CC=3)CC(=O)C2=C(O)C=1
MolPort-046-793-264	0.67	CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
MCULE-9617502889	0.67	C1(OC)C=C2O[C@]([H])(C3C=CC(OC)=CC=3)[C@@]([H])([C@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@@]3([H])C3C=CC(OC)=CC=3)C(=O)C2=C(O)C=1
MolPort-046-762-776	0.67	[2H]C1=C(C)CC([2H])([2H])C(C(C)=C)C1([2H])[2H]
MCULE-7988809823	0.67	C1(OC)C=C2O[C@]([H])(C3C=CC(OC)=CC=3)[C@]([H])([C@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MolPort-019-940-199	0.67	CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MCULE-4089152858	0.67	C1(O)C=C2OC/C(=C/C3C=CC(OC)=CC=3)/C(=O)C2=CC=1
MolPort-023-274-284	0.67	CC\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)C=CC1=O
MCULE-4071615581	0.67	C1(O)C=C2O[C@]([H])(C3C=CC(OC)=CC=3)[C@]([H])([C@@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@@]3([H])C3C=CC(OC)=CC=3)C(=O)C2=C(O)C=1
MolPort-039-141-884	0.67	C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@](C)(O)CO
MCULE-7131810532	0.67	C12C(O)=CC(=CC=1O[C@@H](CC2=O)C1C=CC(=C(O)C=1)OC)O
MolPort-046-596-275	0.67	C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MCULE-7513860584	0.67	C1(OC)C=C2O[C@]([H])(C3C=CC(O)=CC=3)[C@]([H])([C@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MolPort-035-706-198	0.67	CC(C)[C@@H]1[C@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
MolPort-027-835-537	0.67	CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-035-681-549	0.67	C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-027-641-344	0.67	CC\C=C/C[C@H]1[C@@H](CCCCCC(O)=O)C=CC1=O
MolPort-046-690-133	0.67	[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@](O)(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-046-764-826	0.67	[2H]C1=C2C([2H])([2H])C[C@@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-023-220-126	0.67	CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-027-835-865	0.67	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-023-219-645	0.67	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2C(O)=O
MolPort-002-501-996	0.67	CC(=O)CC1CCC=C1
MolPort-001-792-108	0.67	CCCCCC\C=C\C=O
MolPort-002-507-494	0.67	CC(C)=CCC(CC=C(C)C)C(\C)=C\C=O
MolPort-002-509-792	0.67	C[C@]12CCC3[C@@H](CC[C@H]4CC=CC[C@]34C)C1CCC2=O
MolPort-006-668-441	0.67	CC1(C)CCCC(=C)C11CCC(=CC1)C(O)=O
MolPort-044-637-435	0.67	C[C@@H](\C=C/C=C(C)C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H](C(=O)C=C3C)\C(C=O)=C/C[C@@H]12
MolPort-022-370-462	0.67	C\C(CC\C=C(/C)C=O)=C/C=O
MolPort-046-691-372	0.67	CC(C)=CCCC(=C)[C@H]1CCC(C)=CC1
MolPort-002-534-267	0.67	O=CC=C1CCCCCCCCCCC1
MolPort-046-596-343	0.67	C[C@]12CCC3C(CC[C@H]4CC=CC[C@]34C)C1CCC2=O
MCULE-3047713071	0.66	C1(O)C=C2O[C@]([H])(C3C=CC(O)=CC=3)[C@]([H])([C@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-6856311194	0.66	C1(O)C(C[C@H](C(=C)C)C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3O)CC(=O)C2=C(OC)C=1
MCULE-3225229511	0.66	C1(O)C(O)=CC([C@H]2OC3C=C(O)C=C(O)C=3C(=O)C2)=CC=1
MCULE-5423915532	0.66	C1(OC(=O)C)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1
MCULE-1274766602	0.66	C12OC(C)(C)C=CC=1C(O)=C1C(=O)C(C3C=CC(O)=C(C/C=C(\C)/C)C=3OC)COC1=C2
MCULE-8743190189	0.66	C12C(=CC=CC=1OC(CC2=O)C1=CC=CC=C1)OC
MCULE-5717525103	0.66	C12OC(C)(C)CC(=O)C1=CC=C(OCC1C=CC=C3C=CC=CC=13)C=2C
MCULE-5463631459	0.66	C1(OC)C=C2O[C@H](C3C=CC(OC)=C(O)C=3)CC(=O)C2=C(O)C=1
MCULE-6906830879	0.66	C1(O)C=C2O[C@H](C3C=C(O)C(O)=C(O)C=3)CC(=O)C2=CC=1
MolPort-002-530-019	0.66	C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@]1(C)CCC(C)(O)C=C
MCULE-6810010607	0.66	C1(O)C(C[C@@H](C/C=C(\C)/C)C(C)=C)=C2O[C@H](C3C=CC=CC=3O)CC(=O)C2=C(O)C=1
MolPort-020-005-710	0.66	CC(C)=C1C\C=C(C)\CC\C=C(C)\CC1=O
MCULE-6429597192	0.66	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MolPort-046-690-270	0.66	C/C(/C=C/C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C\C=O
MCULE-6966159864	0.66	C12OC(C)(C)C=CC=1C(=CC=C2C(=O)CC(O)=O)OC
MolPort-039-144-999	0.66	CC(C)=C1C\C=C(C)\CCC=C(C)CC1=O
MCULE-5025792577	0.66	C1(O)C(C[C@H](C(=C)C)C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3O)CC(=O)C2=C(O)C=1
MolPort-002-915-935	0.66	CC1=CC(=O)C(CCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O
MCULE-5733387532	0.66	C1(OC)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1C
MolPort-002-915-848	0.66	O=C1C=CC(=O)C(CCCCCCC2=CC(=O)C=CC2=O)=C1
MCULE-2677968878	0.66	C1(O)C(C[C@@H](C/C=C(\C)/C)C(C)=C)=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1C/C=C(\C)/C
MolPort-039-052-323	0.66	CC(C)=C1C\C=C(C)/CC\C=C(C)/CC1=O
MCULE-1688833251	0.66	C1(O)C=C2O[C@H](C3C=C(O)C(O)=CC=3)CC(=O)C2=C(O)C=1
MolPort-002-915-936	0.66	CC1=CC(=O)C(CCCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O
MCULE-9748713051	0.66	C1(O)C=C2O[C@]([H])(C3C=CC(O)=CC=3)[C@]([H])([C@@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MolPort-000-719-686	0.66	CC(=O)\C=C\C1C(C)=CCCC1(C)C
MCULE-1011020169	0.66	C12C(=CC=C3C(CC4(CCCCC4)OC=13)=O)OC(CC2C1COC2=C(C=CC=C2)C=1)=O
MolPort-046-762-450	0.66	CC(C)=C1C\C=C(C)\CC\C=C(C)/CC1=O
MCULE-7830277688	0.66	C1(OC)C=C2O[C@H](C3C=C(O)C=C(O)C=3)CC(=O)C2=C(O)C=1
MolPort-035-706-319	0.66	CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
MCULE-5215717105	0.66	C1(O)C=C2O[C@]([H])(C3C=CC(O)=CC=3)[C@]([H])([C@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MolPort-002-550-644	0.66	O=C1C(CCCC1C1=CCCCC1)C1=CCCCC1
MCULE-9352490355	0.66	C1(O)C=C2O[C@]([H])(C3C=CC(O)=CC=3)[C@@]([H])([C@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MolPort-004-288-323	0.66	CC(=O)C=CC1C(C)=CCCC1(C)C
MCULE-3159000697	0.66	C1(OC)C=C2O[C@@H]([C@@H](O)C(C2=C(O)C=1)=O)C1C=CC(O)=CC=1
MolPort-001-793-332	0.66	C[C@@H]1CCC(=C(C)C)C(=O)C1
MCULE-5303181922	0.66	C1(O)C=C2OC/C(=C\C3C=CC(O)=CC=3)/C(=O)C2=CC=1
MolPort-002-506-978	0.66	CC1CCC2C(C)(C)CCCC2(C)C1CC\C(C)=C/CCC(C)=O
MCULE-3436478692	0.66	C1(O)C=C2O[C@]([H])(C3C=CC(O)=CC=3)[C@@]([H])([C@@]3([H])C(=O)C4C(O)=CC(O)=CC=4O[C@]3([H])C3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MolPort-002-709-805	0.66	CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
MCULE-3029164834	0.66	C1(O)C=C2O[C@H]([C@H](O)C(C2=C(O)C=1)=O)C1C=CC(O)=CC=1
MolPort-039-338-840	0.66	C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
MCULE-3924606015	0.66	C1(O)C=C2O[C@H](C3C=C(O)C=C(O)C=3)CC(=O)C2=C(O)C=1
MolPort-001-742-389	0.66	C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(O)=O
MCULE-7927912257	0.66	C1(C=C2OC(C3C=CC(=CC=3)O)C(C3C(C4C=CC(O)=CC=4)OC4C(C3=O)=C(O)C=C(O)C=4)C(C2=C(O)C=1)=O)O
MolPort-042-675-234	0.66	C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3CC[C@@]12C
MCULE-1131774635	0.66	C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)CC(=O)C2=CC=1
MolPort-039-052-451	0.66	C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MCULE-8678602121	0.66	C1(O)=CC(O)=C2C(CC(C3C=CC(O)=C(O)C=3)OC2=C1)=O
MolPort-035-706-434	0.66	C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)[C@H]3CC[C@@]12C
MCULE-4302664705	0.66	C12OC(C)(C)C=CC1=C1OCC(C3C=CC(O)=C(C/C=C(\C)/C)C=3OC)C(=O)C1=C(O)C=2
MolPort-004-964-306	0.66	C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C
MCULE-9899038190	0.66	OC1C=C2OC(C3C=CC(O)=C(O)C=3)CC(C2=CC=1)=O
MolPort-035-706-203	0.66	C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CC=C(C)C(=O)[C@H]12)C(O)=O
MCULE-5357027007	0.66	C1=C2OC(C3=CC=C(OC)C=C3)CC(=O)C2=CC=C1
MolPort-046-688-079	0.66	CC(C1CC=C(C)C(=O)C1)C(O)=O
MCULE-6930739422	0.66	C12C(O)=CC(=CC=1O[C@@H]([C@@H](O)C2=O)C1=CC=C(C=C1)O)OC/C=C(\C)/C
MolPort-044-754-142	0.66	C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3
MolPort-003-848-321	0.66	C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=O
MolPort-044-637-462	0.66	CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
MolPort-016-638-416	0.66	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)C2[C@H]1C
MolPort-020-005-948	0.66	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[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-046-196-745	0.66	C[CH]C1CC[C]2[C]1CCC1[C]3C[CH][C@H](O)C[C@H]3C(=O)C=C21
MolPort-002-841-841	0.66	CC(C)CCCC(C)C1CCC2C(C(CC[C@]12C)[C@@]1(C)CCC(=O)C=C1)C(O)=O
MolPort-023-332-906	0.66	CCCCCC1CC(O)=CC(=O)C1
MolPort-002-507-128	0.66	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-002-516-984	0.66	C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CCC(C)(O)C=C
MolPort-035-706-403	0.66	CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC(=O)[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
MolPort-001-766-015	0.66	CC1CCC(=C(C)C)C(=O)C1
MolPort-003-808-500	0.66	CC(=C)[C@@H]1CCC(C)(C)C2=CC(=O)CC[C@@]12C#N
MolPort-039-338-840	0.66	C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
MolPort-020-005-948	0.66	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[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-003-811-448	0.66	OC1=CC(=O)C2C3CC(C=C3)C12
MolPort-020-005-710	0.66	CC(C)=C1C\C=C(C)\CC\C=C(C)\CC1=O
MolPort-039-144-999	0.66	CC(C)=C1C\C=C(C)\CCC=C(C)CC1=O
MolPort-039-052-323	0.66	CC(C)=C1C\C=C(C)/CC\C=C(C)/CC1=O
MolPort-046-762-450	0.66	CC(C)=C1C\C=C(C)\CC\C=C(C)/CC1=O
MolPort-035-706-403	0.66	CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC(=O)[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
MolPort-035-706-203	0.66	C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CC=C(C)C(=O)[C@H]12)C(O)=O
MolPort-023-332-906	0.66	CCCCCC1CC(O)=CC(=O)C1
MolPort-039-052-451	0.66	C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-042-675-234	0.66	C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3CC[C@@]12C
MolPort-044-754-142	0.66	C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3
MolPort-046-196-745	0.66	C[CH]C1CC[C]2[C]1CCC1[C]3C[CH][C@H](O)C[C@H]3C(=O)C=C21
MolPort-046-688-079	0.66	CC(C1CC=C(C)C(=O)C1)C(O)=O
MolPort-044-637-462	0.66	CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
MolPort-046-690-270	0.66	C/C(/C=C/C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C\C=O
MolPort-035-706-434	0.66	C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)[C@H]3CC[C@@]12C
MolPort-035-706-319	0.66	CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
MCULE-1097395119	0.65	C1C=C2C(OC(CC2=O)C2C=CC(C3C=CC=CC=3)=CC=2)=CC=1O
MCULE-8081389858	0.65	C1(OC(=O)C)C=C2O[C@H](C3C=CC(OC(=O)C)=CC=3)CC(=O)C2=C(OC(=O)C)C=1
MCULE-9188615584	0.65	CC1=C(O)C(C)=CC(C=C2C(=O)C3=C(C=CC=C3)OC2)=C1
MCULE-5559057559	0.65	C1(O)C=C2O[C@H]([C@@H](C(C2=CC=1)=O)O)C1C=CC(O)=CC=1
MCULE-2776613173	0.65	C12C=CC(C)=CC=1C(=O)CC(C1C=CC=CC=1)O2
MCULE-5212006601	0.65	C1(O)C(C[C@H](C(=C)C)C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3OC)CC(=O)C2=C(OC)C=1
MCULE-3324355674	0.65	C1(C=C2OC(CC(C2=C(O)C=1)=O)C1=CC=C(O)C(OC)=C1)O
MCULE-6331583005	0.65	O1C(C2C=CC(=CC=2)O)CC(C2C=CC=CC=21)=O
MCULE-2611502602	0.65	C1(OC(=O)C)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC(=O)C)C=1
MCULE-1545228810	0.65	C1(OC)C=C2O[C@H](C3C=CC(OC)=CC=3)[C@@H](O)C(=O)C2=C(OC)C=1
MCULE-4756469832	0.65	C12C(OC(C)=O)=CC(=CC=1O[C@@H](CC2=O)C1C=CC=CC=1)OC(C)=O
MCULE-7915233124	0.65	CC(OC1=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=CC=C1)C
MCULE-2224472463	0.65	COC(C1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1)=O
MCULE-7064559962	0.65	C1(O)C=C2OC(O)(C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-9587381415	0.65	C1(O)C=C2O[C@H](C3C=C(OC)C(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-4560358638	0.65	C1(O)C=C2O[C@H](C3C=CC=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-7221582646	0.65	COC1=C(OCC2=CC=CC=C2)C=CC(C=C2C(=O)C3=C(C=CC=C3)OC2)=C1
MCULE-5242974703	0.65	C1(OC)C(CC(O)C(O)(C)C)=C2OC(C3C=CC=CC=3)CC(=O)C2=C(OC)C=1
MCULE-3547616904	0.65	C12OC(C)(CC/C=C(/C)\C)CCC1=C1OC(C3C=CC(O)=CC=3O)CC(=O)C1=C(O)C=2
MCULE-6923632463	0.65	C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1O
MCULE-4463093454	0.65	C12C(O)=CC(O)=CC=1O[C@H](C1C=CC=CC=1)[C@@H](O)C2=O
MCULE-9182612724	0.65	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)[C@@H](O)C(=O)C2=CC=1
MCULE-5974617735	0.65	C1(O)C(C[C@H](C(=C)C)C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3OC)CC(=O)C2=C(O)C=1
MCULE-7621697279	0.65	COC1=C(OCC2=CC=CC=C2)C=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MCULE-7151589798	0.65	O=C1C2=C(C=CC=C2)OCC1=CC1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1
MolPort-005-943-996	0.65	C[C@H]1[C@H](O)CCC2=CC(=O)C(C[C@]12C)=C(C)C
MolPort-044-649-708	0.65	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-001-794-307	0.65	CC1=C(CC=O)C(C)(C)CCC1
MolPort-046-158-402	0.65	CC(=C)[C@@H]1CC[C@@]2(C)[C@H](O)CC(=O)C(C)=C2C1
MolPort-020-172-353	0.65	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)=O
MolPort-039-052-452	0.65	C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C
MolPort-035-784-104	0.65	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CCC(C)=O.CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)=O
MolPort-002-549-449	0.65	CC(C)(C)C1=CC2(CCCC2)C=C(C1=O)C(C)(C)C
MolPort-046-426-834	0.65	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=O
MolPort-002-279-706	0.65	O=C1C2C3C=CC(C2C(=O)C2C4C=CC(C12)C41CC1)C31CC1
MolPort-003-891-724	0.65	CCC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)CC
MolPort-003-880-189	0.65	OC(=O)\C=C/C1CCC=CC1
MolPort-003-664-396	0.65	CC1=C(O)C(=O)CC(C)(C)C1
MolPort-021-804-810	0.65	CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
MolPort-005-944-829	0.65	C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CC\C(C=O)=C/C(O)=O
MolPort-019-939-283	0.65	C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C\CC1
MolPort-006-113-734	0.65	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
MolPort-046-765-264	0.65	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@H]1C=CC2=O
MolPort-046-689-959	0.65	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C=CC2=O
MolPort-046-792-935	0.65	CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C
MolPort-044-561-264	0.65	C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C/CC1
MolPort-001-790-179	0.65	CC1=CCCC(C)(C)C1C=O
MolPort-002-510-763	0.65	CC(=O)C1C(=O)C=C(C)C1=O
MolPort-002-507-398	0.65	CCC(=O)C1CC(CC=C1C)C(C)C
MolPort-027-845-391	0.65	CC1CCC=C(C)C1C=O
MolPort-003-933-714	0.65	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=O
MolPort-046-672-833	0.65	CCC(=O)C(C)C\C(C)=C\C
MolPort-005-306-293	0.65	CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)=O
MolPort-001-769-753	0.65	CC(C)=CCC\C(C)=C\CCC(C)=O
MolPort-002-512-781	0.65	CC(C)=CCC\C(C)=C\CC(C)(C)C=O
MolPort-001-769-700	0.65	CCCCC\C=C\CCC=O
MolPort-019-937-276	0.65	CC1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
MolPort-035-784-104	0.65	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C/CCC(C)=O.CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)=O
MolPort-046-792-935	0.65	CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C
MolPort-020-172-353	0.65	CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CCC(C)=O
MolPort-046-158-402	0.65	CC(=C)[C@@H]1CC[C@@]2(C)[C@H](O)CC(=O)C(C)=C2C1
MolPort-039-052-452	0.65	C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C
MolPort-044-649-708	0.65	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-019-939-283	0.65	C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C\CC1
MolPort-044-561-264	0.65	C\C1=C/CC(C)(C)\C=C\C(=O)\C(C)=C/CC1
MolPort-027-845-391	0.65	CC1CCC=C(C)C1C=O
MolPort-021-804-810	0.65	CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
MolPort-046-765-264	0.65	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@H]1C=CC2=O
MolPort-019-937-276	0.65	CC1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
MolPort-046-689-959	0.65	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C=CC2=O
MolPort-046-426-834	0.65	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=O
MolPort-046-672-833	0.65	CCC(=O)C(C)C\C(C)=C\C
MolPort-039-338-149	0.64	C\C(C=O)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O
MolPort-046-196-627	0.64	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-690-624	0.64	C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)C3CCC2(C)[C@@]1(C)C(C)=O
MolPort-002-506-962	0.64	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-002-506-866	0.64	CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-524-060	0.64	C[C@@H]1CC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-002-509-435	0.64	CC(=O)C1=CCC2[C@@H]3CC[C@H]4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-007-980-847	0.64	CC(=O)C1=CCC2C3CC[C@H]4C[C@H](O)CCC4(C)C3CCC12C
MolPort-001-740-071	0.64	C[C@]12CCC3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CCC2=O
MolPort-003-940-820	0.64	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-002-508-961	0.64	CC(=O)CCC1=C(C)CCC1C(C)=C
MolPort-027-640-632	0.64	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-046-647-234	0.64	O=C1C2CCCC1C=CC2
MolPort-035-706-329	0.64	CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@@]21C
MolPort-035-706-224	0.64	CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
MolPort-023-220-689	0.64	C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
MCULE-4683509472	0.64	C1(=CC=C2C(C=CC=C2)=C1O)C(=O)C=CC1=CC=C(C(COC2C=CC=CC=2C2CCCCC2)=C1)OC
MCULE-4193299594	0.64	C1(O)C=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1OC
MCULE-1404432580	0.64	C1(=CC(=CC=C1OC)C=CC(=O)C1C=CC(=CC=1)O)COC1=CC=CC=C1C1CCCCC1
MCULE-7736830441	0.64	C12OC(CC(=O)C=1C=CC(OCC1=C(C)C=C(C)C=C1C)=C2C)(C)C
MCULE-7125091388	0.64	OC(C1C=CC(/C=C2\C(=O)C3C=CC=CC=3OC\2)=CC=1)=O
MCULE-1604093945	0.64	C1(O)C=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-8978551782	0.64	COC1=CC(C2OC3C=C(OC)C=CC=3C(=O)C2)=CC(OC)=C1OC
MCULE-9901702441	0.64	CCOC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MCULE-3227954058	0.64	C12=C(C=CC(C(C)=O)=C1O)OC(CC2C1COC2=C(C=CC=C2)C=1)=O
MCULE-3176222043	0.64	CCCCOC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MCULE-4116517746	0.64	C12C=CC(C)(C)OC1=C1C(CCC)CC(=O)OC1=C(C(=O)C(C(O)C)C)C=2O
MCULE-8639547010	0.64	C=CCOC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MCULE-3318872595	0.64	OC(C1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1)=O
MCULE-1399875708	0.64	COC1=C(OC)C(OC)=C(C=C2C(=O)C3=C(C(=CC=C3)C)OC2)C=C1
MCULE-5001924953	0.64	C1(COC2=C(C=CC=C2)C1=O)=CC1=CC=C(C=C1)OC
MCULE-3140585141	0.64	C12=C(O)C=C(C=C1OC(CC2=O)(C)C)OCC1=CC=C(C=C1)C(OC)=O
MCULE-4717924797	0.64	C1(O)C(C[C@H](C(=C)C)CCC(O)(C)C)=C2O[C@H](C3C=CC(O)=CC=3O)CC(=O)C2=C(OC)C=1
MCULE-6486758353	0.64	CC(C1=C(N(=O)=O)C=C(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)C=C1)C
MCULE-9660563348	0.64	C12C=CC(OC)=CC=1OC(CC2=O)C1C=CC(OC)=C(OC)C=1
MCULE-8635359097	0.64	C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)CC(=O)C2=CC=1O
MCULE-9575020223	0.64	C1(O)C(O)=C2O[C@H](C3C=CC(O)=C(O)C=3)CC(=O)C2=CC=1
MCULE-8486606999	0.64	CCCOC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MCULE-3238156473	0.64	C1(O)C=C2OC/C(=C\C3C=CC(O)=C(O)C=3)/C(=O)C2=CC=1
MolPort-002-526-521	0.64	C[C@]12C[C@@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CCC2=O
MolPort-019-994-032	0.64	C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-039-338-083	0.64	C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-002-800-192	0.64	CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(C1)C#N
MolPort-002-841-842	0.64	CC(C)CCCC(C)C1CCC2[C@H](C(CC[C@]12C)[C@@]1(C)CCC=CC1=O)C(O)=O
MolPort-046-765-329	0.64	C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@H]34)[C@H]1CC[C@@H]2O
MolPort-046-765-405	0.64	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
MolPort-003-892-478	0.64	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(CO)CC[C@H]21
MolPort-003-940-126	0.64	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-003-958-619	0.64	C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
MolPort-006-394-722	0.64	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-044-637-519	0.64	CC1=C2CC\C(C)=C\CCC(=C)CCC(CC1)C2(C)C
MolPort-039-338-083	0.64	C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-028-750-136	0.64	C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-046-594-326	0.64	CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
MolPort-046-691-207	0.64	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C
MolPort-046-702-685	0.64	CCCCCC(O)\C=C\[C@@H]1C(C\C=C\CCCC(O)=O)C=CC1=O
MolPort-046-647-234	0.64	O=C1C2CCCC1C=CC2
MolPort-046-762-734	0.64	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-035-706-329	0.64	CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)[C@H]3CC=C4[C@@H](CCC(=O)C4(C)C)[C@]3(C)CC[C@@]21C
MolPort-027-640-632	0.64	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-046-509-819	0.64	O=C1CC=CCC11CCCCC1
MolPort-046-067-683	0.64	O=C1C2CCC[C@H]1C1=C(CCCC1)C2
MolPort-039-338-149	0.64	C\C(C=O)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O
MolPort-046-196-627	0.64	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-153-169	0.64	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-046-765-329	0.64	C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@H]34)[C@H]1CC[C@@H]2O
MolPort-046-153-151	0.64	CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-046-765-405	0.64	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
MolPort-019-994-032	0.64	C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-000-480-394	0.64	CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
MolPort-002-510-335	0.64	CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]12C
MolPort-006-069-321	0.64	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-046-509-819	0.64	O=C1CC=CCC11CCCCC1
MolPort-001-740-023	0.64	C[C@H]1[C@H](O)CCC2=CC(=O)[C@](O)(C[C@]12C)C(C)=C
MolPort-003-959-398	0.64	CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
MolPort-046-702-685	0.64	CCCCCC(O)\C=C\[C@@H]1C(C\C=C\CCCC(O)=O)C=CC1=O
MolPort-003-940-301	0.64	C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC=C2
MolPort-046-691-207	0.64	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C
MolPort-004-748-423	0.64	CC(C)=CC(=O)C1CCC(=O)CC1
MolPort-007-980-854	0.64	CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
MolPort-002-529-087	0.64	C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-002-932-776	0.64	CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
MolPort-046-594-326	0.64	CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
MolPort-035-706-224	0.64	CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
MolPort-028-750-136	0.64	C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-001-783-112	0.64	CC(C)=CCC\C(C)=C\C=O
MolPort-002-506-926	0.64	CC(C)=CCC\C(C)=C/C=O
MolPort-003-909-614	0.64	CC(C)=CCCC(C)=CC=O
MolPort-003-960-114	0.64	CCCC\C=C\C(C)=O
MolPort-001-792-107	0.64	CCCCC\C=C\C=O
MolPort-023-220-689	0.64	C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
MolPort-044-637-519	0.64	CC1=C2CC\C(C)=C\CCC(=C)CCC(CC1)C2(C)C
MolPort-046-762-734	0.64	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-002-524-763	0.64	CC[C@H](CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-046-153-151	0.64	CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-046-067-683	0.64	O=C1C2CCC[C@H]1C1=C(CCCC1)C2
MolPort-002-507-121	0.64	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
MolPort-046-153-169	0.64	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-003-666-031	0.64	C[C@]12CCC3C(CCC4=CC(=O)C=C[C@]34C)C1CCC2=O
MolPort-002-525-755	0.64	CC(=O)C1=CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-000-739-273	0.64	CC12CCC3C(CCC4=CC(=O)C=CC34C)C1CCC2=O
MolPort-046-792-758	0.63	C1C=C[C@H]2[C@@H]3C[C@H](C=C3)[C@@H]12
MolPort-023-220-735	0.63	CC(C)[C@H]1CC(=O)[C@@H](C)CC\C=C(C)\CC1=O
MolPort-046-684-157	0.63	CC(C)[C@@H]1CC(=O)[C@@H](C)CCC=C(C)CC1=O
MolPort-001-816-845	0.63	O=C1CCCCC1C1=CCCCC1
MolPort-001-739-597	0.63	CC1=CC(=O)C2C(C)(C)CCC[C@]2(C)[C@H]1CO
MolPort-046-689-989	0.63	C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-002-525-374	0.63	C[C@]12CCC3[C@@H](C=CC4=CC(=O)C=C[C@]34C)C1CCC2=O
MolPort-023-274-413	0.63	CC1C(O)CCC2=CC(=O)C(CC12CO)C(C)=C
MolPort-042-694-438	0.63	C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-046-596-321	0.63	C[C@]12CCC3C(C=CC4=CC(=O)C=C[C@]34C)C1CCC2=O
MolPort-039-009-249	0.63	CC1(C)CC(O)=CC(=O)C11CCC(=O)C=C1
MolPort-001-740-913	0.63	C[C@@]1(CCC2C(C1)=CCC1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MolPort-022-376-663	0.63	BrC1=C(CCCC1)C=O
MolPort-004-802-886	0.63	CC1CCC(O)=CC1=O
MolPort-039-338-320	0.63	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-028-950-611	0.63	FC(F)(F)C1CCC(=O)C=C1
MolPort-001-757-789	0.63	CC1=CCC(CC=O)C1(C)C
MolPort-035-705-911	0.63	CC(=O)\C=C\[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C
MolPort-046-511-053	0.63	C[C@@H]1[C@@H]2C=CC[C@@H]2C1=O
MolPort-019-923-047	0.63	C1C=CC2[C@@H]3C[C@@H](C=C3)C12
MolPort-020-006-015	0.63	CC(C)[C@@H]1CC(=O)[C@@H](C)CC\C=C(C)\CC1=O
MolPort-046-196-836	0.63	C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-003-892-472	0.63	CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
MolPort-046-153-152	0.63	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-002-512-114	0.63	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-039-009-099	0.63	CC(=O)C1(O)C(=C)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-046-761-814	0.63	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=O
MolPort-046-689-150	0.63	[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-001-742-388	0.63	CC1(C)CC2C1CC\C(=C/CCC2=C)C(O)=O
MolPort-039-052-422	0.63	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-005-943-420	0.63	CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-938-563	0.63	O=C1C[C@@H]2C=CC[C@H]12
MolPort-046-588-886	0.63	O=CC1(CCCCC1)C1=CCCCC1
MolPort-003-938-611	0.63	O=C1C[C@H]2C=CC[C@@H]12
MolPort-001-790-441	0.63	O=C1CC2C=CCC12
MolPort-046-701-995	0.63	CC(C)[C@@H]1CC(=O)[C@@H](C)CC\C=C(C)/CC1=O
MolPort-046-792-758	0.63	C1C=C[C@H]2[C@@H]3C[C@H](C=C3)[C@@H]12
MolPort-002-509-760	0.63	C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC=C2C(=O)CO
MolPort-044-724-114	0.63	CC1(C)C=CC2C3CC(C=C3)C12
MolPort-022-376-663	0.63	BrC1=C(CCCC1)C=O
MolPort-039-338-320	0.63	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-044-724-114	0.63	CC1(C)C=CC2C3CC(C=C3)C12
MolPort-044-723-310	0.63	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-196-107	0.63	CC1C=CC2C3CC(C=C3)C12
MolPort-019-923-047	0.63	C1C=CC2[C@@H]3C[C@@H](C=C3)C12
MolPort-046-684-157	0.63	CC(C)[C@@H]1CC(=O)[C@@H](C)CCC=C(C)CC1=O
MolPort-023-220-735	0.63	CC(C)[C@H]1CC(=O)[C@@H](C)CC\C=C(C)\CC1=O
MolPort-035-705-911	0.63	CC(=O)\C=C\[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C
MolPort-020-006-015	0.63	CC(C)[C@@H]1CC(=O)[C@@H](C)CC\C=C(C)\CC1=O
MolPort-046-701-995	0.63	CC(C)[C@@H]1CC(=O)[C@@H](C)CC\C=C(C)/CC1=O
MolPort-046-511-053	0.63	C[C@@H]1[C@@H]2C=CC[C@@H]2C1=O
MolPort-046-588-886	0.63	O=CC1(CCCCC1)C1=CCCCC1
MolPort-046-153-152	0.63	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-044-723-276	0.63	C[C@@]1(CO)CCC[C@]2(C)[C@H]3CCC(=O)C=C3[C@H](O)C[C@@H]12
MolPort-044-723-310	0.63	CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-689-150	0.63	[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-039-052-422	0.63	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-761-814	0.63	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=O
MolPort-039-338-695	0.63	CC(O)\C=C\C1C(C)=CC(=O)CC1(C)C
MolPort-046-196-836	0.63	C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-039-009-099	0.63	CC(=O)C1(O)C(=C)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-046-196-107	0.63	CC1C=CC2C3CC(C=C3)C12
MolPort-028-950-611	0.63	FC(F)(F)C1CCC(=O)C=C1
MolPort-023-274-413	0.63	CC1C(O)CCC2=CC(=O)C(CC12CO)C(C)=C
MolPort-003-801-744	0.63	CC(=O)CCC=C1CCCCC1
MolPort-003-926-236	0.63	CC1=CC2C(C1)C1CC2C(C)=C1
MolPort-003-983-803	0.63	[K+].CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC([O-])=O)[C@H]12
MolPort-046-689-989	0.63	C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-003-848-083	0.63	C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-044-723-276	0.63	C[C@@]1(CO)CCC[C@]2(C)[C@H]3CCC(=O)C=C3[C@H](O)C[C@@H]12
MolPort-039-338-695	0.63	CC(O)\C=C\C1C(C)=CC(=O)CC1(C)C
MolPort-042-694-438	0.63	C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-039-009-249	0.63	CC1(C)CC(O)=CC(=O)C11CCC(=O)C=C1
MolPort-046-596-321	0.63	C[C@]12CCC3C(C=CC4=CC(=O)C=C[C@]34C)C1CCC2=O
MCULE-2567986775	0.63	O1C2=CC(=CC(=C2C([C@H]([C@@H]1C1=CC=C(C(=C1)O)O)O)=O)O)O
MCULE-8876698541	0.63	C1C=C2C(=CC=1)C(=O)C[C@@H](C1C=CC=CC=1)O2
MCULE-2232530891	0.63	C1(OC)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1OC
MCULE-2327386216	0.63	C1(O)C=C2O[C@H](C3C=C(O)C(O)=C(O)C=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-6698156528	0.63	O1C2=CC(=CC(=C2C([C@@H]([C@@H]1C1=CC(=C(C(=C1)O)O)O)O)=O)O)O
MCULE-8224104004	0.63	C1(OC)C=C2O[C@H](C3C=CC(OC)=C(O)C=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-3601358321	0.63	C1(O)C=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(O)C=1OC
MCULE-4817576208	0.63	C1(O)C=C2O[C@H](C3C=C(O)C(O)=C(O)C=3)[C@@H](O)C(=O)C2=C(O)C=1C
MCULE-1890542536	0.63	C1(O)C2C(CC(C3C=C(O)C(OC)=CC=3)OC=2C=C(OC)C=1OC)=O
MCULE-2605725094	0.63	C1(O)C=C2O[C@H](C3C=C(O)C(OC)=C(O)C=3)[C@@H](O)C(=O)C2=CC=1
MCULE-8000658254	0.63	C1(O)C=C2O[C@H](C3C=C(O)C(OC)=C(OC)C=3)CC(=O)C2=C(O)C=1OC
MCULE-1279719161	0.63	C1C(C(O)=O)=CC(C/C=C(\C)/C)=C2OC(C)(C)C=CC=12
MCULE-1338747805	0.63	C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)[C@@H](O)C(=O)C2=C(O)C=1C
MCULE-9979782762	0.63	C1(O)C=C2O[C@H](C3C=CC(O)=C(C4C5O[C@H](C6C=CC(O)=CC=6)CC(=O)C=5C(O)=CC=4O)C=3)CC(=O)C2=C(O)C=1
MCULE-4254870575	0.63	C12C(O)=CC(=CC=1OC(C(O)C2=O)C1C=CC(=C(O)C=1)O)O
MCULE-1470462195	0.63	COC(C1=CC=C(C=C2C(=O)C3=C(C=CC(=C3)C)OCC2)C=C1)=O
MCULE-9974388839	0.63	COC1=C(OC)C=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C(OC)=C1
MCULE-3714829206	0.63	C1(O)C=C2O[C@H](C3C(O)=CC=CC=3O)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-2108662486	0.63	C12OC3C(C)(C)C3C1=C1OC(C3C=CC=CC=3)CC(C1=C(OC)C=2)=O
MCULE-6759985767	0.63	COC1=CC(OC)=C(C=C2C(=O)C3=C(C=CC(=C3)OC)OC2)C=C1
MCULE-6286398411	0.63	C1(O)C=C2O[C@H](C3C=CC=CC=3O)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-9571524501	0.63	COC(C1=CC=C(C=C2C(=O)C3=C(C(=CC=C3C)C)OC2)C=C1)=O
MCULE-6991857034	0.63	OC1C=CC([C@@H]2OC3=CC(O)=C(C)C(O)=C3C([C@H]2O)=O)=CC=1O
MCULE-2296975795	0.63	C12=C(O)C=C(C=C1O[C@@H]([C@@H](O)C2=O)C1=CC(O)=C(C(O)=C1)O)O
MCULE-2394173874	0.63	C12C(O)=CC(=CC=1O[C@@H]([C@@H](O)C2=O)C1C=CC(=C(O)C=1)O)O
MCULE-8926090259	0.63	C1(OC)C(O)=C2O[C@H](CC(C2=C(O)C=1)=O)C1C(O)=CC=CC=1
MCULE-1856015315	0.63	O(C)C1C=CC([C@H]2OC3=CC(O)=CC(O)=C3C([C@@H]2O)=O)=CC=1O
MCULE-2692728789	0.63	C12C(O)=CC(=CC=1O[C@@H]([C@@H](O)C2=O)C1C=CC(=C(O)C=1)O)O
MCULE-4871721304	0.63	C12C(O)=CC(=CC=1O[C@H]([C@H](O)C2=O)C1C=CC(=C(O)C=1)O)O
MCULE-2866920258	0.63	O=C1C2=C(C=CC=C2)OCC1=CC1=CC=CC=C1
MCULE-1480766301	0.63	C1(OC)=CC(O)=C2C([C@@H]([C@@H](C3C=CC(O)=C(O)C=3)OC2=C1)O)=O
MCULE-3558918209	0.63	C12=C(O)C=C(C=C1OC(CC2=O)(C)C)OCC1=CC=C(C=C1)Br
MCULE-2856098560	0.63	O=C1C2=C(C=CC=C2)OCC1=CC1=CC2=C(OCC2)C=C1
MCULE-4057705338	0.63	C1(=CC(OC)=CC=C1C(=O)C=CC1C=CC=CC=1OC)OC(C1=CC=CC=C1)=O
MCULE-2809167723	0.63	C12=C(O)C=C(C=C1OC(C(O)C2=O)C1=CC(O)=C(C(O)=C1)O)O
MCULE-3925941144	0.63	O1C(C2C=CC=CC=2)CC(C2C=CC=CC=21)=O
MCULE-8245748041	0.63	C1(=C/C2=CC=CC=C2OCC2=CC=CC(C)=C2)/C(=O)C2=C(C=CC=C2)C/1=O
MCULE-4812868362	0.63	OC1C(O)=CC([C@@H]2OC3C(C([C@H]2O)=O)=C(O)C(C)=C(O)C=3)=CC=1O
MCULE-3597695936	0.63	C1(COC2=C(C=CC=C2)C1=O)=CC1C=CC(=CC=1)C
MCULE-8945539167	0.63	O=N(C1=C(Cl)C=CC(C=C2C(=O)C3=C(C=CC=C3)OC2C2=CC=CC=C2)=C1)=O
MCULE-9660679251	0.63	C1(O)C=C2OC(CC(C2=C(O)C=1OC)=O)C1C=CC=CC=1
MCULE-2540919807	0.63	OC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MolPort-046-761-514	0.62	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-158-440	0.62	CC(C)C1=CC(=O)C2=C(CC[C@H]3C(C)=C(CC[C@]23C)C(O)=O)C1=O
MolPort-035-775-548	0.62	O=C1C[C@@H]2CC[C@H]1C=C2
MolPort-004-288-333	0.62	O=C1CC2CC=CC12
MolPort-035-706-299	0.62	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
MolPort-001-740-226	0.62	C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC=C21)C(=C)C3)C(O)=O
MolPort-002-510-183	0.62	C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CCC2=O
MolPort-044-649-693	0.62	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-002-510-704	0.62	C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2O
MolPort-044-561-334	0.62	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
MolPort-002-538-677	0.62	O=C1C(CC2CCCC(C2=O)C2=CCCCC2)CCCC1C1=CCCCC1
MolPort-046-682-364	0.62	O=C1CC2CC[C@H]1C=C2
MolPort-038-434-376	0.62	O=C1C2CCC1C=CC2
MolPort-035-706-109	0.62	CC(C)[C@H]1CCC(C=O)=C[C@@H]1O
MolPort-021-804-689	0.62	CC(C)CC(=O)CC(C)C1CCC(=CC1)C(O)=O
MolPort-035-706-174	0.62	C[C@H]1CC[C@H](CC=C1CCC(C)=O)C(=C)C(O)=O
MolPort-002-549-671	0.62	CC(C)(C)C1=CC2(CC2)C=C(C1=O)C(C)(C)C
MolPort-000-141-928	0.62	CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C
MolPort-006-111-373	0.62	CC1=C(C(O)=O)C(C)(C)CCC1
MolPort-046-158-400	0.62	CC(=C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@]2(O)C1
MolPort-002-904-388	0.62	CCC1=CC(=O)C=C(CC)C1=O
MolPort-006-115-819	0.62	C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CCC2=O
MolPort-023-279-166	0.62	CC(C)C1=CC(=O)C=C(C(C)C)C1=O
MolPort-002-800-179	0.62	CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(O)C1
MolPort-046-761-519	0.62	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-689-970	0.62	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-006-717-257	0.62	BrC1=CCCCC1=O
MolPort-023-299-005	0.62	CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
MolPort-003-911-175	0.62	C1C=CC2CC=CCC12
MolPort-001-793-640	0.62	CC1=CC(=O)CC1
MolPort-022-878-920	0.62	O=CC=C1CCCCC1
MolPort-046-510-916	0.62	CC(=C)C(=O)CCC(=C)C=C
MolPort-006-126-388	0.62	CC(C)(O)CCCC1=CCC(CC1)C=O
MolPort-046-153-146	0.62	CC12CC(=O)C3=C(CCC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
MolPort-039-338-393	0.62	CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
MolPort-028-599-946	0.62	C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O
MolPort-006-116-724	0.62	CC1=CCC(=O)CC1
MolPort-046-153-788	0.62	CC(=O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C
MolPort-042-622-821	0.62	O=C1CCC(CC1)=C1CCC1
MolPort-028-745-366	0.62	CC(C)=CCCC1=CCC(CC1)C(O)=O
MolPort-035-706-314	0.62	CC(=C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C(=O)CC[C@@]23C)[C@@]1(C)CCC(O)=O
MolPort-046-596-344	0.62	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CCC2O
MolPort-035-706-267	0.62	C[C@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
MolPort-030-084-563	0.62	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CCC2=O
MolPort-027-720-808	0.62	CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-035-706-266	0.62	C[C@@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
MolPort-046-790-392	0.62	C[C@@H]1CC(=O)C=C2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@@]12C
MolPort-002-800-680	0.62	CC(C)(C)C1CCC(=CC1)C(O)=O
MolPort-006-112-202	0.62	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-023-298-994	0.62	CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
MolPort-019-937-542	0.62	CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O
MolPort-046-693-184	0.62	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MolPort-046-683-739	0.62	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C([2H])([2H])[2H]
MolPort-006-394-318	0.62	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-338-477	0.62	CC1(C)[C@@H](O)C(=O)C=C2[C@H]1CC[C@@H]1C[C@@](C)(CC[C@@]21C)C=C
MolPort-002-526-056	0.62	CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@]12C
MolPort-002-525-628	0.62	CC(=O)[C@H]1C[C@H](O)C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C[C@@H](O)[C@]12C
MolPort-046-690-063	0.62	[2H]C([2H])(CCC(C)CO)[C@@H](C)[C@@H]1C([2H])([2H])C[C@@H]2[C@@H]3[C@@H](CC[C@@]12C)[C@]1(C)CC[C@H](O)CC1=CC3=O
MolPort-006-112-376	0.62	CC(=O)CC1=CCCCC1
MolPort-028-745-366	0.62	CC(C)=CCCC1=CCC(CC1)C(O)=O
MolPort-021-804-689	0.62	CC(C)CC(=O)CC(C)C1CCC(=CC1)C(O)=O
MolPort-035-775-548	0.62	O=C1C[C@@H]2CC[C@H]1C=C2
MolPort-046-158-440	0.62	CC(C)C1=CC(=O)C2=C(CC[C@H]3C(C)=C(CC[C@]23C)C(O)=O)C1=O
MolPort-046-761-514	0.62	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-046-689-970	0.62	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-266	0.62	C[C@@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
MolPort-046-690-063	0.62	[2H]C([2H])(CCC(C)CO)[C@@H](C)[C@@H]1C([2H])([2H])C[C@@H]2[C@@H]3[C@@H](CC[C@@]12C)[C@]1(C)CC[C@H](O)CC1=CC3=O
MolPort-035-706-267	0.62	C[C@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
MolPort-030-084-563	0.62	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CCC2=O
MolPort-035-706-299	0.62	CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
MolPort-046-596-344	0.62	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CCC2O
MolPort-046-761-519	0.62	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-023-279-166	0.62	CC(C)C1=CC(=O)C=C(C(C)C)C1=O
MolPort-046-693-184	0.62	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MolPort-027-720-808	0.62	CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-044-649-693	0.62	CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-039-338-393	0.62	CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
MolPort-039-338-477	0.62	CC1(C)[C@@H](O)C(=O)C=C2[C@H]1CC[C@@H]1C[C@@](C)(CC[C@@]21C)C=C
MolPort-019-937-542	0.62	CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O
MolPort-044-561-334	0.62	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
MolPort-023-299-005	0.62	CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
MolPort-023-298-994	0.62	CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
MolPort-046-683-739	0.62	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C([2H])([2H])[2H]
MolPort-022-878-920	0.62	O=CC=C1CCCCC1
MolPort-046-510-916	0.62	CC(=C)C(=O)CCC(=C)C=C
MolPort-028-599-946	0.62	C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O
MolPort-046-153-146	0.62	CC12CC(=O)C3=C(CCC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
MolPort-042-622-821	0.62	O=C1CCC(CC1)=C1CCC1
MolPort-046-153-788	0.62	CC(=O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C
MolPort-046-682-364	0.62	O=C1CC2CC[C@H]1C=C2
MolPort-046-790-392	0.62	C[C@@H]1CC(=O)C=C2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@@]12C
MolPort-038-434-376	0.62	O=C1C2CCC1C=CC2
MolPort-035-706-314	0.62	CC(=C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C(=O)CC[C@@]23C)[C@@]1(C)CCC(O)=O
MolPort-035-706-174	0.62	C[C@H]1CC[C@H](CC=C1CCC(C)=O)C(=C)C(O)=O
MolPort-046-158-400	0.62	CC(=C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@]2(O)C1
MolPort-035-706-109	0.62	CC(C)[C@H]1CCC(C=O)=C[C@@H]1O
MCULE-5430115226	0.62	O=C1C2=C(C=CC=C2)OCC1=CC1=CC(C#N)=CC=C1
MCULE-1202749948	0.62	OC(CCOC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1)=O
MCULE-9493193786	0.62	O=C1C2=C(C=CC=C2)OC(C2=CC=CC=C2)C1=CC1SC=CC=1
MCULE-5252713172	0.62	C1(=CC2=CC=C3CCCCC3=C2O)C(=O)C2=CC=CC=C2OC1=O
MCULE-3466738216	0.62	COC1=C(OCC2=CC=C(Cl)C=C2)C=CC(C=C2C(=O)C3=C(C=CC=C3)OC2)=C1
MCULE-1651216901	0.62	C1(=O)CC(C2=CC=C(C=C2)OC)OC2C=C(C)C=C(C)C1=2
MCULE-2240480284	0.62	C1(COC2C(=CC=CC=2)C1=O)=CC1C=CC=C2C=CC=CC=12
MCULE-9203327406	0.62	OC(COC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1)=O
MCULE-8420795412	0.62	O=C1C2=C(C=CC=C2)OCC1=CC1=CC2=C(C=CC=C2)C=C1
MCULE-6587008051	0.62	CC1=C2C(C(C(CO2)=CC2=CC=C(OCCC(O)=O)C=C2)=O)=CC=C1
MCULE-1970027833	0.62	C1(COC2=C(C=CC=C2)C1=O)=CC1C=CC(=CC=1)OCCCCCCCC
MCULE-6814312961	0.62	C1(C2C=CC=CC=2)(C2C=CC=CC=2)CC(=O)C2=C(C=CC=C2)O1
MCULE-8167750054	0.62	C1(=CC(OC)=CC=C1C(=O)C=CC1C=CC=CC=1OC)OC(=O)C1=CC=CC=C1C
MCULE-6468128120	0.62	C1(=CC2C=CC=CC=2O)C(=O)C2C=CC=CC=2OC1=O
MCULE-3559522784	0.62	C12=CC(C)=CC=C1OC(CC2=O)C1C=CC(=CC=1)Br
MCULE-9169599513	0.62	C1C(O)=C2C(=O)C(C3C(O)=C4C=CC(C)(C)OC4=CC=3)COC2=CC=1O
MCULE-2359559021	0.62	C1(O)C=C2OCC(C3C4OC(C)(C)C=CC=4C(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-4933367212	0.62	CC(C1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1)C
MCULE-7346346926	0.62	COC1=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C(Br)C=C1
MCULE-2912517118	0.62	CCC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MCULE-6533627375	0.62	CC1=CC(C)=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MCULE-2897285952	0.62	FC(OC1=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=CC=C1)F
MCULE-3357534737	0.62	COC1=C(OC)C(C=C2C(=O)C3=C(C=CC=C3)OC2)=CC=C1
MCULE-3231582881	0.62	[C@H]1([C@@H](O)C(C2C=CC(O)=CC=2O1)=O)C1C=CC(O)=C(O)C=1
MCULE-1195984442	0.62	O=C1C2=C(C=CC=C2)OCC1=CC1=CC=C(OC2=CC=CC=C2)C=C1
MCULE-7586369120	0.62	C12=C(CCC(C3=CC=CC=C3)O1)C=C(C=O)C(O)=C2C
MCULE-5096872945	0.62	COC1=C(O)C(OC)=CC(C=C2C(=O)C3=C(C=C(C(=C3)C)C)OC2)=C1
MCULE-1241943676	0.62	COC1=C(OCC#N)C=CC(C=C2C(C)(C)OC3=C(C=CC=C3)C2=O)=C1
MCULE-2969545968	0.62	COC1=CC2=C(C=C(C=C2)C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MCULE-3899679930	0.62	C1(O)C(C[C@@H](C/C=C(\C)/C)C(C)=C)=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(OC)C=1
MCULE-1517499241	0.62	O1[C@H](C2C=CC(=CC=2)C)CC(C2C=CC=CC=21)=O
MCULE-8465550177	0.62	C1(O)C(C[C@@H](C/C=C(\C)/C)C(C)=C)=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@H](O)C(=O)C2=C(OC)C=1
MCULE-8170622638	0.62	O=C1C2C=C(C=CC=2OC/C/1=C\C1C=C(O)C(OC)=CC=1)C
MCULE-9634821184	0.62	O1C2C=C(O)C=CC=2C([C@H](O)[C@H]1C1=CC(O)=C(C(O)=C1)O)=O
MCULE-8275106243	0.62	C12OC(CC(=O)C=1C=CC(OCC1=CC(=CC(C(F)(F)F)=C1)C(F)(F)F)=C2C)(C)C
MCULE-5742809714	0.62	C1(OC)C(OC)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1O
MCULE-4597198409	0.62	OC1C(O)C(O)C(OC1C1C(=C2C(=O)CC(C3C=CC(O)=CC=3)OC2=CC=1O)O)CO
MCULE-1139388494	0.62	C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(C/C=C(\C)/C)=C2O[C@H](C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1
MCULE-6030144398	0.62	O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1C1C(=C2C(=O)C[C@@H](C3C=CC(O)=CC=3)OC2=CC=1O)O)CO
MCULE-5688950589	0.62	C12=C(C=CC(C(C3=CC=CC=C3)=O)=C1O)OC(CC2C1COC2=C(C=CC=C2)C=1)=O
MCULE-4193314774	0.62	OC1=C2C(C[C@@H](C3C=CC=CC=3)OC2=C(OC)C(OC)=C1)=O
MCULE-3083183470	0.62	OC(COC1C=CC(/C=C2\C(=O)C3C=CC=CC=3OC\2)=CC=1)=O
MCULE-5665116242	0.62	C1(O)C=C2O[C@H](C3C=CC(O)=C(O)C=3)[C@@H](O)C(=O)C2=CC=1
MCULE-5340165807	0.62	C1(O)C=C2OC(C(C(=O)C2=CC=1)O)C1C=C(O)C(O)=C(O)C=1
MCULE-4496634668	0.62	C1(O)C=C2O[C@H](C3C=CC(O)=C(OC4C=CC([C@@H]5CC(=O)C6C(O)=CC(O)=CC=6O5)=CC=4)C=3)CC(=O)C2=C(O)C=1
MCULE-8960596008	0.62	C12OC(CC(=O)C=1C(C)=CC(OCC1C=C(C=CC=1C)C)=C2)(C)C
MCULE-8854286900	0.62	COC1=C(C#N)C=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MCULE-4243657441	0.62	C1(OC2=C(C=CC=C2)C(=O)C1=CC1=CNC2=CC=CC=C12)C1=CC=CC=C1
MCULE-3104154094	0.62	OC(C1=CC=C(C=C2C3(CCC3)OC3=C(C=CC=C3)C2=O)C=C1)=O
MCULE-8259253641	0.62	CC(C#N)OC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MCULE-3062365476	0.61	COC1=CC2=C(OCC(C2=O)=CC2=CC(C)=C(OC)C=C2)C=C1
MCULE-3493265138	0.61	C12C(OC)=CC(=CC=1OC(C(O)C2=O)C1C=CC(=C(OC)C=1)OC)OC
MCULE-8957574622	0.61	COC1=CC(C=C2C(=O)C3=C(C=CC=C3)OC2)=CC(OC)=C1
MCULE-6870319674	0.61	COC1=C(O)C=C(C=C2C(=O)C3=C(C(=CC=C3)C)OC2)C=C1
MCULE-4861196207	0.61	[C@H]1(C2=CC=C(C)C=C2)OC2=C(C=CC=C2)C(=O)[C@@H]1C
MCULE-4126688402	0.61	COC1=C(O)C(O)=CC(C=C2C(=O)C3=C(C=CC=C3)OC2)=C1
MCULE-2569079842	0.61	BrC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MCULE-1243164622	0.61	C12C=C(OC)C=CC=1OC(C1=CC=C(OC)C=C1)CC2=O
MCULE-8277971572	0.61	COC1=C(OC)C(OC)=CC(C=C2C(=O)C3=C(C=CC=C3)OC2)=C1
MCULE-8135607815	0.61	CC1(OC2=C(C=CC(=C2)OCC2=CC=C(C(N)=O)C=C2)C(=O)C1)C
MCULE-9323415780	0.61	ClC1=CC2=C(C(CC(C3=CC=CC=C3)O2)=O)C=C1
MCULE-8847685016	0.61	COC1C=C(O)C(OC)=C2C=1C(CC(C1C=CC=CC=1)O2)=O
MCULE-1088177999	0.61	C12OC(CC(=O)C=1C=CC(OCC1C=CC=CC=1F)=C2C)(C)C
MCULE-5713424466	0.61	FC(C1=CC(C=C2C(=O)C3=C(C=CC=C3)OC2)=CC=C1)(F)F
MCULE-9771624689	0.61	FC(OC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1)F
MCULE-8736452832	0.61	C1(OCC2C=CC=CC=2)C=CC(C(=O)C=CC2C=CC(C)=CC=2OC)=C(O)C=1
MCULE-6672284700	0.61	C1(O)C(C)=C2OC[C@@H](CC3C=CC(OC)=CC=3)C(=O)C2=C(O)C=1C
MCULE-8206286780	0.61	OC1=CC(C=C2C(=O)C3=C(C=CC=C3)OC2)=CC=C1
MCULE-6303182626	0.61	C12C(=O)CC(C)(C)OC=1C=C(C=C2)OCC1C=CC(F)=CC=1
MCULE-8969680562	0.61	O1C2=CC(=CC=C2C(C2C(=C(C(CCCCCCCCCCC)=O)C(=C(C(CCCCCCCCCCC)=O)C=2O)O)O)CC1C1=CC=C(C=C1)O)O
MCULE-1629332012	0.61	C1(C=CC(=CC=1O)O)C(=O)C=CC1=CC=CC=C1OCC1C=CC=CC=1
MCULE-2091495141	0.61	COC1=C(O)C=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MCULE-6772374144	0.61	C12C(=O)CC(C)(C)OC=1C=C(C=C2C)OCC1C=CC=CC=1
MCULE-2349308709	0.61	CC1=CC2=C(OC(C3=CC4=C(OCCCCO4)C=C3)CC2=O)C=C1
MCULE-5085203621	0.61	OC1=C(O)C=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MCULE-7469999111	0.61	O=C1C2=C(C=CC=C2)C(=O)/C/1=C/C1=C(OCC2=CC=CC=C2)C=CC=C1
MCULE-3980239730	0.61	C1(COC2=C(C=C(C=C2)C)C1=O)=CC1C=CC(=C(OC)C=1)OC
MCULE-7823431861	0.61	C1C=C2C(=O)CC(OC2=CC=1)C1C=CC(C(=O)OC)=CC=1
MCULE-3149822701	0.61	C1(OC(=O)C)C=C2O[C@H](C3C(OC(=O)C)=CC=CC=3OC(=O)C)CC(=O)C2=C(OC(=O)C)C=1
MCULE-2001089335	0.61	C1(O)C(OC)=C2OC/C(=C\C3C=CC(OC)=CC=3)/C(=O)C2=CC=1
MCULE-2373585148	0.61	CC1C(O)=C(C)C2OCC(CC3C=CC(OC)=CC=3)C(=O)C=2C=1O
MCULE-5229263577	0.61	O=C1C2=C(C=CC=C2)OC(C2=CC=CC=C2)C1=CC1=CSC=C1
MCULE-7028658249	0.61	C1(C=C2O[C@@H](C3C=CC(=CC=3)O)[C@H](C3C(O)=CC(O)=C4C(=O)C[C@H](C5C=CC(O)=CC=5)OC=34)C(C2=C(O)C=1)=O)O
MCULE-1523399872	0.61	C1(O)C(CC(C/C=C(\C)/C)C(C)=C)=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@@H](O)C(=O)C2=C(O)C=1
MCULE-4541279484	0.61	C1(C(=C2C([C@@H](CC(C)C)[C@@H](C(C)C)[C@H](C3C(O)=C(C=O)C(O)=C(C=O)C=3O)O2)=C(C=1C=O)O)C=O)O
MCULE-7707382821	0.61	C12=CC(C)=CC=C1OC(CC2=O)C1C=CC(=CC=1)Cl
MCULE-2166170852	0.61	C1(C(=C2C(OC(C)(C=C2)C)=C(C(/C=C/C2C=CC=CC=2)=O)C=1O)O)C
MCULE-4867351823	0.61	C12=CC=C(C=C1OCCC2=O)OCC1C=CC=CC=1
MCULE-2660644517	0.61	C1(C2C=CC=CC=2O)CC(=O)C2C(=CC=CC=2)O1
MCULE-3505244952	0.61	C(=O)(OC1=CC(OC)=CC=C1C(=O)C=CC1=CC=CC=C1OC)C1C=CC=CC=1OC
MCULE-2685313130	0.61	O1C2C=CC=CC=2C(CC1C1C=CC2=C(OCCCCO2)C=1)=O
MCULE-1080038509	0.61	COC(C(OC1=CC=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1)C)=O
MCULE-9602960797	0.61	C1(O)C(OC)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1
MolPort-003-847-336	0.61	CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-002-513-811	0.61	COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC[C@]13C=C(C(C)C)C(CC21)C1C3C(=O)C=CC1=O
MolPort-027-640-982	0.61	CCCCC[C@H](O)C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
MolPort-039-343-842	0.61	CCC12CC(=C)C3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
MolPort-002-526-574	0.61	CC(=O)C1=CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-035-706-391	0.61	CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(O)=O
MolPort-002-116-770	0.61	CC(=O)C1=C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-021-804-571	0.61	CC1CC(O)C(CC2=C(C)C(=O)CC12)C(=C)C(O)=O
MolPort-002-527-205	0.61	CC(=O)C1=C(C)CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-028-610-018	0.61	CC1C=CC2CCC(=O)CC22C1C(=O)C(C)=C(O)C2=O
MolPort-003-892-389	0.61	CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-046-765-287	0.61	[2H]C#C[C@]1(O)CC[C@H]2[C@@H]3CC([2H])([2H])C4=C([2H])C(=O)C([2H])([2H])C[C@]4([2H])[C@H]3C(=C)C[C@]12CC
MolPort-002-549-690	0.61	[Cu++].CCC(=O)C1=C([O-])CCCC1=O.CCC(=O)C1=C([O-])CCCC1=O
MolPort-000-141-975	0.61	CC(C)(C)C1=CC(=O)C(=O)C(=C1)C(C)(C)C
MolPort-002-506-874	0.61	CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-009-015-247	0.61	CCCCC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
MolPort-002-130-411	0.61	CC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
MolPort-001-995-568	0.61	CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1
MolPort-001-011-949	0.61	CCC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
MolPort-035-705-808	0.61	CC(C)C1=CC(=O)[C@](C)(O)[C@@H]2[C@@H]3C=C(C(C)C)[C@H]([C@H]12)C(=O)[C@]3(C)O
MolPort-001-783-113	0.61	CC(=O)\C=C\C1=C(C)CCCC1(C)C
MolPort-001-762-154	0.61	CC(=O)CCCCC\C=C\C(O)=O
MolPort-004-288-372	0.61	CC(=O)C=CC1=C(C)CCCC1(C)C
MolPort-002-894-025	0.61	C[C@]12C=CC(=O)[C@@]1(C)C(=O)C=C2
MolPort-046-677-777	0.61	OC(=O)C1=CC2CC\C=C/CCC12
MolPort-046-790-351	0.61	C[C@@H]1CCC=C2C(=O)C=C[C@@H](C(C)(C)O)[C@@]12C
MolPort-046-792-919	0.61	CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)C\C(=C/O)C1=O
MolPort-002-510-110	0.61	CC(C)=CCC(C)(C)\C=C\C(C)=O
MolPort-046-677-777	0.61	OC(=O)C1=CC2CC\C=C/CCC12
MolPort-021-804-571	0.61	CC1CC(O)C(CC2=C(C)C(=O)CC12)C(=C)C(O)=O
MolPort-028-610-018	0.61	CC1C=CC2CCC(=O)CC22C1C(=O)C(C)=C(O)C2=O
MolPort-046-765-287	0.61	[2H]C#C[C@]1(O)CC[C@H]2[C@@H]3CC([2H])([2H])C4=C([2H])C(=O)C([2H])([2H])C[C@]4([2H])[C@H]3C(=C)C[C@]12CC
MolPort-039-343-842	0.61	CCC12CC(=C)C3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
MolPort-046-792-919	0.61	CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)C\C(=C/O)C1=O
MolPort-046-790-351	0.61	C[C@@H]1CCC=C2C(=O)C=C[C@@H](C(C)(C)O)[C@@]12C
MolPort-002-501-801	0.61	C1CC(CC=C1)\C=C\C1CCC=CC1
MolPort-046-596-273	0.61	CC(=O)C1=C(C)CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-035-706-391	0.61	CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(O)=O
MolPort-027-640-982	0.61	CCCCC[C@H](O)C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
MolPort-035-705-808	0.61	CC(C)C1=CC(=O)[C@](C)(O)[C@@H]2[C@@H]3C=C(C(C)C)[C@H]([C@H]12)C(=O)[C@]3(C)O
MolPort-001-787-569	0.61	CCC\C=C(/CC)C=O
MolPort-009-019-391	0.61	CCCCCCCCCCCCCCC\C=C/CC\C=C/CCCCCC
MolPort-001-793-753	0.61	CC(C)C\C=C(\C=O)C(C)C
MolPort-046-596-273	0.61	CC(=O)C1=C(C)CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-039-338-120	0.60	C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(O)C(C)(C)C1CC3=O
MolPort-038-386-640	0.60	CC\C=C/CC(O)\C=C\C(=O)CCCCCCCCC(O)=O
MolPort-002-800-180	0.60	CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(Cl)C1
MolPort-003-657-348	0.60	CC12CCC3C(C1CCC2=O)C(=O)C=C1CC(O)CCC31C
MolPort-006-112-811	0.60	C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-009-019-328	0.60	CCCCC\C=C/CCCCCCC\C=C/CCCC(O)=O
MolPort-044-755-253	0.60	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(O)CO
MolPort-002-798-888	0.60	BrC1=C(Br)C(=O)C2C3CC(C=C3)C12
MolPort-044-183-256	0.60	CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C\C=C/CCCC(O)=O
MolPort-039-338-333	0.60	C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-039-338-148	0.60	C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-044-650-172	0.60	CCCCCCCCCCCCCC\C=C\CCCC(O)=O
MolPort-039-323-730	0.60	CC1(C)CCC(C=O)=C(Cl)C1
MolPort-039-239-507	0.60	CC1(C)CCC(=CC1)C(O)=O
MolPort-039-060-935	0.60	CC1=C(CCC(C)(C)C1)C(O)=O
MolPort-001-768-051	0.60	CC1(C)CC(Cl)=CC(=O)C1
MolPort-020-005-764	0.60	C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)C[C@](C)(CCC=C(C)C)CC[C@]12C
MolPort-046-594-349	0.60	CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)CC(C)(CCC=C(C)C)CCC12C
MolPort-042-680-921	0.60	Cl\C1=C(\CCCCCC1)C=O
MolPort-008-545-466	0.60	O=CC1=CCCC1
MolPort-042-620-547	0.60	O=C1C[C@@H]2C[C@H]1C=C2
MolPort-009-760-711	0.60	Cl.CC1(C)CC(Cl)=CC(=O)C1
MolPort-046-196-703	0.60	C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)C(O)=O
MolPort-039-338-120	0.60	C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(O)C(C)(C)C1CC3=O
MolPort-002-510-100	0.60	CC(=O)[C@@]1(O)CCC2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-039-323-730	0.60	CC1(C)CCC(C=O)=C(Cl)C1
MolPort-046-594-349	0.60	CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)CC(C)(CCC=C(C)C)CCC12C
MolPort-044-650-172	0.60	CCCCCCCCCCCCCC\C=C\CCCC(O)=O
MolPort-039-338-333	0.60	C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-042-680-921	0.60	Cl\C1=C(\CCCCCC1)C=O
MolPort-044-183-256	0.60	CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C\C=C/CCCC(O)=O
MolPort-042-620-547	0.60	O=C1C[C@@H]2C[C@H]1C=C2
MolPort-039-060-935	0.60	CC1=C(CCC(C)(C)C1)C(O)=O
MolPort-046-596-366	0.60	CC(=O)[C@@]1(O)CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-764-570	0.60	C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
MolPort-035-771-241	0.60	NC1=CC(=O)CC2(CCC2)C1
MolPort-046-196-703	0.60	C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)C(O)=O
MolPort-046-683-789	0.60	[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
MolPort-035-924-387	0.60	CC12CCC(=O)C=C1CCC1C3CCC(C(=O)CO)C3(CC(O)C21)C=O
MolPort-023-279-448	0.60	C[C@@H]1CC2C3CCC4=CC(=O)CCC4(C)C3[C@@H](O)CC2(C)[C@@]1(O)C(=O)CO
MolPort-038-386-640	0.60	CC\C=C/CC(O)\C=C\C(=O)CCCCCCCCC(O)=O
MolPort-046-688-925	0.60	C[C@]12CC[C@H]3[C@@H](C[C@H](Br)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-765-410	0.60	C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@H]1CCC2=O
MCULE-9274292293	0.60	CCOC1=C(OC)C=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MolPort-046-196-704	0.60	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MCULE-6451111457	0.60	C12C=C(O)C=CC=1O[C@](CC2=O)([H])C1=CC=CC=C1
MolPort-046-766-226	0.60	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C3C[C@@H](O)C21)C(=O)CO
MCULE-5365018816	0.60	COC1=CC(C=C2C(=O)C3=C(C=CC=C3)OC2)=CC=C1
MolPort-027-948-631	0.60	C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MCULE-9922758733	0.60	C1(O)C(OC)=C2O[C@H](C3C=CC=CC=3O)CC(=O)C2=C(O)C=1
MolPort-046-766-234	0.60	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)C21)C=O
MCULE-6407927193	0.60	C12OC(C)(C)C=CC1=C1OC(OC)(C3C=CC(O)=CC=3O)C(=O)C1=C1OC(C(O)(C)C)C(OC)C=21
MolPort-039-338-148	0.60	C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MCULE-4955309931	0.60	C1(=CC2C=CC=C3C=CC(O)=CC=23)C(=O)C2C=CC=CC=2OC1=O
MolPort-020-005-764	0.60	C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)C[C@](C)(CCC=C(C)C)CC[C@]12C
MCULE-9246187836	0.60	C1(CCC(O)=O)=CC(C(=O)C2=CC=CC(C(O)=O)=C2)=CC=C1OCCCC/C=C/C1=CC=C(OC)C=C1
MolPort-023-279-448	0.60	C[C@@H]1CC2C3CCC4=CC(=O)CCC4(C)C3[C@@H](O)CC2(C)[C@@]1(O)C(=O)CO
MCULE-6122035709	0.60	C12C(=O)CC(C)(C)OC=1C(C)=C(C=C2)OCC1=CC=CC(OC(F)(F)F)=C1
MolPort-039-239-507	0.60	CC1(C)CCC(=CC1)C(O)=O
MCULE-7346037761	0.60	C1(=CC(OC)=CC=C1C(=O)C=CC1C=CC=CC=1OC)OC(=O)C1C=CC(=CC=1)Br
MolPort-046-596-366	0.60	CC(=O)[C@@]1(O)CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MCULE-3938369351	0.60	C1(CC(C2C=C(C=CC=2O1)Cl)=O)C1=CC=C(OC)C=C1
MolPort-006-069-316	0.60	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
MCULE-7588457893	0.60	C12=C(O)C=C(C=C1OC(CC2=O)(C)C)OCC1=CC=C(C=C1)N(=O)=O
MolPort-002-529-268	0.60	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]21CO1
MCULE-5577419993	0.60	O1C2C=CC=CC=2C(CC1C1=CC=C(C(COC2C=CC(=CC=2Cl)Cl)=C1)OC)=O
MolPort-019-936-866	0.60	C\C(=C/CCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
MCULE-8927348422	0.60	C1(=C/C2C=CC=CC=2OCC2=CC=C(C=C2)C(O)=O)\C(=O)C2=C(C=CC=C2)C\1=O
MolPort-019-936-771	0.60	C\C(=C/CCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O)C(O)=O
MCULE-6811303079	0.60	O=C1C2=C(C=CC=C2)OCC1=CC1=CC=C(C#N)C=C1
MolPort-019-949-553	0.60	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
MCULE-2962679821	0.60	OC1C2C(=O)CC(OC=2C=C(O)C=1C(=O)C)(C)C
MolPort-006-391-847	0.60	[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@]4(C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O)C=O
MCULE-7109597807	0.60	C12C(O)=CC(=C(C/C=C(/C)\C)C=1OC(C1C=CC(=CC=1)O)C(O)C2=O)OC1OC(CO)C(C(O)C1O)O
MolPort-006-131-902	0.60	C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MCULE-3016034856	0.60	C12=CC(=CC=C1C(CC(C)(C)O2)=O)OCC1C=CC=CC=1Cl
MolPort-008-155-609	0.60	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34O)C1CCC2=O
MCULE-4160392495	0.60	COC1=C(O)C(OC)=CC(C=C2C(=O)C3=C(C=CC=C3)OC2)=C1
MolPort-006-113-487	0.60	C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
MCULE-1477744891	0.60	C12C=CC(OCC3C=CC=CC=3F)=CC=1OC(CC2=O)(C)C
MolPort-006-393-332	0.60	[2H]C1([2H])[C@]([2H])(O)C2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)C2CCC(O)(C(=O)CO)[C@@]12C
MCULE-8736369101	0.60	C1(=CC=C(C=C1OCC1C=CC=CC=1)OCC1=CC=CC=C1)C(=O)C=CC1C=CC(=CC=1)Cl
MolPort-000-001-776	0.60	BrC1=CC(=O)CCC1
MCULE-2120677871	0.60	C12=CC(=CC=C1OC(CC2=O)(C)C)C(O)=O
MolPort-044-755-253	0.60	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(O)CO
MCULE-1479570353	0.60	OC1C=CC([C@H]2OC3C(C([C@@H]2O)=O)=C(C=C(C=3C/C=C(\C)/C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O)=CC=1
MolPort-044-559-994	0.60	C[C@]12CCC3(O)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MCULE-4441840880	0.60	C12O[C@H](C(O)(C)C)[C@@H](O)C=1C(O)=C(C(=O)/C=C/C1C=CC(O)=CC=1)C=C2
MolPort-019-936-866	0.60	C\C(=C/CCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
MCULE-6287137282	0.60	C1(=CC=C(C=C1OC)OCC1C=CC=CC=1)C(=O)C=CC1=CC=C(C=C1)OCC1C=CC=CC=1
MolPort-046-793-261	0.60	C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MCULE-6147217322	0.60	C12C(O)=CC(=C(C/C=C(\C)/C)C=1O[C@H](C1=CC=C(C=C1)O)[C@@H](O)C2=O)O[C@@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O
MolPort-046-765-476	0.60	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3C[C@H](O)[C@]12C)C([2H])([2H])[2H]
MCULE-2424476488	0.60	C12C=C(O)C=CC=1OC(CC2=O)C1=CC=CC=C1
MolPort-046-793-262	0.60	C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MCULE-7590247408	0.60	O[C@@H]1[C@@H](O)[C@H](O)[C@H](OC1C1C(O)=C2C(=O)[C@H](O)[C@@H](C3C=CC(O)=CC=3)OC2=CC=1O)CO
MolPort-019-936-771	0.60	C\C(=C/CCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O)C(O)=O
MCULE-8933677756	0.60	C1(O)C(C[C@@H](CCC(O)(C)C)C(C)=C)=C2O[C@H](C3C(O)=CC(O)=CC=3)[C@H](O)C(=O)C2=C(OC)C=1
MolPort-019-949-553	0.60	C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
MCULE-3079225515	0.60	COC1=C(OC)C=C(C=C2C(=O)C3=C(C=CC=C3)OC2)C=C1
MolPort-019-904-832	0.60	CC1CCC(=CC1)C(O)=O
MCULE-6745304759	0.60	C1C(O)=C2C(C(COC2=CC=1O)CC1C=CC(=CC=1)OC)=O
MolPort-019-904-832	0.60	CC1CCC(=CC1)C(O)=O
MCULE-7473750549	0.60	C1(CC2C(=CC=CC=2)C1=O)=CC1C=CC=CC=1OCC1=CC=C(C=C1)Br
MCULE-7797086388	0.60	O1C2C=CC=CC=2C(CC1C1C=CC(=C(OC)C=1)OC)=O
MCULE-1040954793	0.60	O1C2C=CC=CC=2C(CC1C1C=CC=C(O)C=1)=O
MCULE-3334832041	0.60	C12C=C(OC)C=CC=1C(CC(C1C=CC=C(OC)C=1OC)O2)=O
MCULE-1736405258	0.60	C1(OC)C=CC(CC2COC3C=C(O)C=CC=3C2=O)=CC=1
MCULE-3476185303	0.60	COC1=CC2=C(OCC(C2=O)=CC2=CC(C)=CC=C2)C=C1
MCULE-2154315081	0.60	C1(O)C=C2OCC(CC3C=CC(O)=CC=3)C(=O)C2=C(O)C=1
MCULE-9905509237	0.60	C12C=CC=CC=1OCC(=CC1C=CC(N)=CC=1)C2=O
MCULE-9946905530	0.60	CCOC1=C(OC)C=CC(C=C2C(=O)C3=C(C=CC=C3)OC2)=C1
MCULE-2531592360	0.60	C1(=CC=C(OC)C=C1OC)C(=O)C=CC1C=CC(=CC=1)OCC1C=CC=CC=1
MCULE-9361233668	0.60	C12OC(CC(=O)C=1C=CC(OCC1=CC=CC(F)=C1)=C2)(C)C
MCULE-5415166337	0.60	CC1(OC2C(=C(C(=C(C=2C(=O)/C=C/C2C=CC=CC=2)O)CC2C(O)=C(C(=O)C)C(O)=C(C)C=2O)O)C=C1)C
MCULE-4280298239	0.60	C(=CC1C=CC=CC=1)C(=O)C1C=CC2=C(CCCCO2)C=1
MCULE-8857945334	0.60	C12C=CC=C(C)C=1OCC(=CC1C=CC(Cl)=CC=1)C2=O
MCULE-1589206456	0.60	COC1=CC2=C(C(C(CCO2)=CC2=CC=C(OC(C#N)C)C=C2)=O)C=C1
MCULE-6914664324	0.60	CC1=C2C(C(C(CCO2)=CC2=CC=C(C(O)=O)C=C2)=O)=CC=C1
MCULE-9607270122	0.60	COC1=C(OCC(C)C)C=CC(C=C2C(=O)C3=C(C=CC=C3)OC2)=C1
MCULE-2281681455	0.60	COC1=C(OCC=C)C=CC(C=C2C(=O)C3=C(C=CC=C3)OC2)=C1
MCULE-6873567402	0.60	COC1=C2C(OCCO2)=CC(C=C2C(=O)C3=C(C=CC=C3)OC2)=C1
MCULE-1246492716	0.60	C1(C(=C2C(C=CC(C)(C)O2)=C(O)C=1CC1C(O)=C(C(C)=O)C(O)=C(C)C=1O)C(C=CC1C=CC=CC=1)=O)O
MCULE-5879688761	0.60	COC1=CC=C(C=C2C(=O)C3=C(C=CC(=C3)C)OCC2)C=C1
MCULE-7697822696	0.60	CCCCOC1=CC=C(C=C2C(=O)C3=C(C=CC(=C3)C)OCC2)C=C1
MCULE-7268905540	0.60	C12=C(C)C=C(C=C1C(CC(C1=CC=C(C(OC)=C1)OC)O2)=O)C
MolPort-046-766-226	0.60	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C3C[C@@H](O)C21)C(=O)CO
MolPort-046-766-234	0.60	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)C21)C=O
MolPort-046-793-261	0.60	C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-046-765-476	0.60	[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3C[C@H](O)[C@]12C)C([2H])([2H])[2H]
MolPort-046-765-410	0.60	C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@H]1CCC2=O
MolPort-046-764-570	0.60	C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
MolPort-046-688-925	0.60	C[C@]12CC[C@H]3[C@@H](C[C@H](Br)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-002-512-788	0.60	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@@H]1CCC2=O
MolPort-046-683-789	0.60	[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
MolPort-001-794-637	0.60	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-002-157-619	0.60	CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
MolPort-002-176-715	0.60	CC(=O)C1(O)CCC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC12C
MolPort-046-196-704	0.60	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-027-948-631	0.60	C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-035-771-241	0.60	NC1=CC(=O)CC2(CCC2)C1
MolPort-000-713-768	0.60	CC12C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
MolPort-003-933-080	0.60	CCCCCC\C=C/CCCC(O)=O
MolPort-004-801-991	0.60	CC1(C)CCC=C(C1)C(O)=O
MolPort-004-964-562	0.60	CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-005-944-289	0.60	CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1CO
MolPort-046-793-262	0.60	C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-005-934-304	0.60	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
MolPort-044-559-994	0.60	C[C@]12CCC3(O)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-001-741-158	0.60	CC(C)=CCC\C(=C/CC\C(C)=C\CC\C(CO)=C\CO)C(O)=O
MolPort-002-511-069	0.60	C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=C)CO
MolPort-035-924-387	0.60	CC12CCC(=O)C=C1CCC1C3CCC(C(=O)CO)C3(CC(O)C21)C=O

---