Analog ID	Similarity score	SMILES	Selection options Mcule | MolPort | All | None
MCULE-6738536824	0.97	O=C1C(C)=C2C(CCCC2(C)CC1)=O
MolPort-002-513-687	0.97	CC1=C(CC2C(CCCC2(C)C)C1)C=O
MolPort-013-791-457	0.97	O=C(C1CCCCC1)C1=CCCCC1
MCULE-7535047148	0.94	CC12CCC(=O)C=C1C(=O)CC1C2CCC2(C)C1CCC2=O
MCULE-2318177037	0.94	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])CC(=O)C2=CC1=O
MCULE-1235419293	0.94	O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)=O)C(C)=O
MCULE-8599123114	0.94	C12(C)CCCCC1=C(C)C(=O)CC2
MCULE-1342617339	0.94	C1CC2C3CCCCC3=CC(=O)C2CC1
MCULE-7781678672	0.94	C12CCCCC1C(CC(=O)C=2)C(C)C
MCULE-9790788139	0.94	O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCCC=C21
MCULE-1925425954	0.94	C12CCCCC1CCC(=O)C=2
MCULE-1048579708	0.94	C12(C)CCCC(C)(C)C1=CC(=O)CC2
MCULE-5631441050	0.94	C12CCCCC1(C)CCC(=O)C=2
MCULE-3926742898	0.94	O=C1C=CC2(CCCCC2)CC1
MCULE-8149754044	0.94	C(C1=CC(C)CCC1)=O
MCULE-7594121913	0.94	C1(CCCCC1=O)=CCCCCCC
MCULE-7819289735	0.94	C1(CCCC(C)=C1C=O)(C)C
MCULE-4948873814	0.94	C1(CCCCC1=O)=CC(CCCC)CC
MCULE-8040115902	0.94	C(C)(C)(C)C1CC(=C2CCC(CC2)C(C)(C)C)C(CC1)=O
MolPort-046-691-486	0.94	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-023-298-997	0.94	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-035-679-062	0.94	C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-002-511-291	0.94	CC(C)C1CC(=O)C=C2CCCCC12
MolPort-001-790-211	0.94	O=C1CCC2CCCCC2=C1
MolPort-020-173-604	0.94	O=C1CCC2(CCCCC2)C=C1
MolPort-039-052-668	0.94	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-000-722-317	0.94	CCCCCC\C=C1/CCCCC1=O
MolPort-003-846-085	0.94	[2H]C([2H])([2H])C1=C(C=O)C(C)(C)CCC1([2H])[2H]
MolPort-000-811-412	0.94	CCCCC(CC)\C=C1\CCCCC1=O
MolPort-001-794-308	0.94	CC1=C(C=O)C(C)(C)CCC1
MolPort-001-817-194	0.94	CCCCC(CC)\C=C1/CCCCC1=O
MCULE-3394759576	0.91	C1(=O)C=C2CC[C@@H](C(=C)C)C[C@@]2(C)[C@H](C)C1
MCULE-9637050612	0.91	O=C1CCC2C(=C1)CCC1(C)C2CC=CC1
MCULE-8902385122	0.91	[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MCULE-3386101177	0.91	[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)/C=C/C(CC)C(C)C
MCULE-4303966960	0.91	C[C@@]12[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC1=CC(=O)CC2
MCULE-9795083418	0.91	O=C1CC[C@@]2([C@]3(CC[C@@]4(/C(=C/C)/C(=O)C[C@@]4([H])[C@]3([H])CCC2=C1)C)[H])C
MCULE-9661302470	0.91	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCCC(C)C
MCULE-2014220888	0.91	O=C1C=CCC2(CCC3C4CCC(C4(C)CCC3C21C)=O)[H]
MCULE-4324141268	0.91	[C@]12(C)CCC3[C@@]([H])(CC(C4=CC(=O)CC[C@]34C)C)C1CC1CCCCC21C(C)=O
MCULE-3125023758	0.91	C1C[C@]2(C)[C@@]3([H])CC[C@@]4([C@@H]([C@H](C)/C=C/[C@@H](CC)C(C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O)C
MCULE-7384114075	0.91	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
MCULE-4876387221	0.91	O=C(C1CCCCC=1)CC1CC2C(C2)C1
MCULE-1731235356	0.91	O=C(C1CCCCC=1)C1C2C(C2)CCC1
MCULE-6739386631	0.91	O=C(C1CCCCC=1)C1CC2C(C2)CC1
MCULE-8841120984	0.91	CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)C)C
MCULE-8690639813	0.91	[C@]12(C)[C@H](C)CC(C=C1CC[C@@H](C(C)=C)C2)=O
MCULE-1428417742	0.91	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
MCULE-6538426298	0.91	O=C1CCC2(C)C3CCC4(C)C(CCCCC(C)C)CCC4C3CCC2=C1
MCULE-3526435182	0.91	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC(C)C2(C)C(C)=O
MCULE-8519555544	0.91	C12(C)C(C)CC(C=C1CCC(C(C)=C)C2)=O
MCULE-7132823730	0.91	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
MCULE-3893717167	0.91	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](CC)C2C(C)=O
MCULE-5119094209	0.91	O=C(C12CCCC1C2)C1CCCCC=1
MCULE-6340945460	0.91	O=C(C12CCCCC1C2)C1CCCCC=1
MCULE-7380885765	0.91	O=C1CCC2(C3CCC4(C)CCCC4C3CCC2=C1)[H]
MCULE-2160116138	0.91	O=C(C1CCCCC=1)[C@@H]1C[C@@H]2C[C@@H]2C1
MCULE-8417547529	0.91	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)=O
MCULE-5238788396	0.91	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
MCULE-3132312011	0.91	O=C1C=CC2(C)C3CCC4(C)CCCC4C3CCC2(C1)[H]
MCULE-3425686308	0.91	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-4612727757	0.91	C1[C@@H]2C([C@H]1CC=C2C=O)(C)C
MCULE-6569061785	0.91	C1C2C(C1CC=C2C=O)(C)C
MCULE-1903986936	0.91	CC(C1C(C(C2CCCCC=2)=O)C1)(C)C
MCULE-5924936253	0.91	CC1CC(C(C2CCCCC=2)=O)C1
MCULE-2750952157	0.91	O=C(C1CCCCC=1)C1C(C2CC2)C1
MCULE-9894286158	0.91	O=C(C1CCCCC=1)C1CC2(CCC2)C1
MCULE-9551990259	0.91	CC1=CC(=O)CC(CC)C1
MCULE-9392368882	0.91	C1=CC(CCC1(CCC)CCC)=O
MCULE-9977163649	0.91	O=C1CC(C)(C)CC(C=O)=C1
MCULE-9861301536	0.91	C1C(CC(CC=1C)CCC)=O
MCULE-1887138472	0.91	O=C1C(C)C(CC)C(C)C(CC)=C1
MCULE-1068654284	0.91	CC(C(C1CCCCC=1)=O)C1CCC1
MCULE-9290289108	0.91	C1(C)C(=O)C=CC(C(C)C)C1
MCULE-7700432494	0.91	O=C(C1CCCCC=1)C1C2(CC2)C1
MCULE-7174333293	0.91	C1C(C[C@@H](CC=1C)CCC)=O
MolPort-002-527-029	0.91	CC1C[C@H]2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-044-728-843	0.91	CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C
MolPort-002-526-176	0.91	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-002-524-345	0.91	CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-517-271	0.91	C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2=O
MolPort-044-652-024	0.91	CC(=O)C1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-002-509-923	0.91	CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
MolPort-001-740-063	0.91	CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-511-077	0.91	C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-046-765-458	0.91	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-002-509-205	0.91	C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
MolPort-002-507-478	0.91	C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(C)=C
MolPort-046-596-417	0.91	CC1CC2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-002-506-935	0.91	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-001-794-643	0.91	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-688-566	0.91	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC=C2
MolPort-046-690-449	0.91	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=C
MolPort-003-847-259	0.91	CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-023-276-307	0.91	CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-849-979	0.91	[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-035-706-382	0.91	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-046-793-263	0.91	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=C1CCCCC1
MolPort-023-274-272	0.91	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-023-298-999	0.91	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-023-299-008	0.91	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-000-146-137	0.91	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-019-994-121	0.91	CCC12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-019-990-215	0.91	CC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-019-940-196	0.91	CC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1(C)C(C)=O
MolPort-003-892-348	0.91	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	0.91	CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-003-958-950	0.91	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-039-052-425	0.91	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-003-941-496	0.91	C\C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-757-683	0.91	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-000-730-189	0.91	CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-001-790-618	0.91	CC1(C)C2CC1C(C=O)=CC2
MolPort-001-794-306	0.91	CC1(C)[C@@H]2C[C@H]1C(C=O)=CC2
MolPort-022-367-867	0.91	CC1(C)CC(=O)C=C(C1)C=O
MolPort-002-506-951	0.91	CCC[C@@H]1CC(C)=CC(=O)C1
MolPort-006-115-641	0.91	CCCC1CC(C)=CC(=O)C1
MolPort-002-509-716	0.91	O.O=C1[C@@H](C[C@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
MolPort-006-110-398	0.91	CC(C)C1CCC(C)=CC1=O
MolPort-002-512-272	0.91	O=C1[C@@H](C[C@@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
MolPort-046-158-507	0.91	C[C@@H](CCC=C(C)C)[C@H]1CCC(C)=CC1=O
MolPort-028-603-498	0.90	CC(C)C\C=C1\CCCCC1=O
MolPort-002-537-209	0.90	CC(=O)C1=C/CCCCCCCCCC\1
MolPort-016-579-165	0.90	O=C\C1=C\CCCCCC1
MolPort-008-348-849	0.90	CC(C)C\C=C1/CCCCC1=O
MolPort-001-781-465	0.90	CC(=O)C1=CCCCC1
MCULE-3433190262	0.90	C1(CCCCCCCCCCC=1)C(C)=O
MCULE-9285433930	0.90	C1(CCCCC=1)C(CC)=O
MCULE-5040560976	0.90	O=C1C(=CC(CC)CC)CCCC1
MCULE-5034253909	0.90	C(C(C)C)(=O)C1CCCCC=1
MCULE-4428185983	0.90	C1(CCCCC1=O)=CCC(C)C
MCULE-9958324589	0.90	C1CCCC=C1C(=O)C
MCULE-9444397237	0.90	C1CCC(=O)C=CCCC1
MCULE-6881426714	0.90	O=C1CCCCC1=CCCCC
MCULE-7375388626	0.90	C1(CCCCC=1)C(CCC)=O
MCULE-3035020921	0.90	C1CCCCC=C(C=O)C1
MCULE-2644888783	0.90	C(=O)(CC(C)C)C1CCCCC=1
MolPort-046-594-365	0.88	CC(=C)C1CCC2(C)CCC(=O)C(C)=C2C1
MolPort-046-600-627	0.88	CC(=O)CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C
MolPort-020-005-765	0.88	CC(=C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1
MolPort-035-706-207	0.88	CC(C)[C@H]1[C@H]2C=C(C)C(=O)C[C@H]2[C@H](C)CC1=O
MolPort-044-723-195	0.88	C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]12C
MolPort-039-338-118	0.88	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-044-727-244	0.88	CC1(C)CCCC(=C)C11CCC(C=O)=CC1
MCULE-2344630269	0.88	C1(CCC(C)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
MCULE-7051793102	0.88	C1C[C@]2(C)CC[C@@H](C(C)=C)CC2=C(C)C1=O
MCULE-2123440957	0.88	CC1C2(C)C(=CC(C3C(C)(C)C32)=O)CCC1
MCULE-8706542409	0.88	C12(C)C3C(C4C(C)(CC3)CCC=4)CCC1=CC(=O)CC2
MCULE-3857929176	0.88	O=C1C=C(CC2C3C=CC(CC3)C2)CC1
MCULE-7083384019	0.88	CC1=C2C[C@H](C(=C)C)CC[C@@]2(C)CCC1=O
MCULE-8099197121	0.88	C1(=O)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
MCULE-5384019764	0.88	C12CC(CCC1(C)CCC(=O)C=2C)C(C)=C
MCULE-4775236455	0.88	CC1(C2(CCC(C=O)=CC2)C(=C)CCC1)C
MCULE-6135208734	0.88	CC1([C@@H]2C(C=C3[C@@](C)([C@H]12)[C@H](C)CCC3)=O)C
MCULE-3614421214	0.88	C1(C=O)=C(C)CCC(C(C)C)C1=O
MCULE-8950557153	0.88	C1(C)(C)[C@@H]2C[C@H]1C(=CC2=O)C
MCULE-1142475318	0.88	C1(C)(C)C2CC1C(=CC2=O)C
MCULE-3343421278	0.88	O=C1C=C(CC2CC=CCC2)CCC1
MCULE-5531656338	0.88	CC1C(=O)C(C)(C)CC(=O)C=1
MCULE-8180565288	0.88	O=C1C=C(CC2C3CCC(CC3)C2)CC1
MCULE-5881773205	0.88	CC1CC(CC2CC=CCC2)=CC(=O)C1
MCULE-1319324374	0.88	CC1CC=C(C(CC2CC=CC2)=O)CC1
MCULE-4374730563	0.88	O=C1CC2CCCCC2=C1
MCULE-9326244207	0.88	O=C(C1CCCC=1)C1CCC2(CC2)CC1
MCULE-1323244269	0.88	O=C(C1CCCC=1)C1CC2(CC2)CCC1
MCULE-3650003593	0.88	O=C1C=C(CC2CC=CCC2)CCCC1
MCULE-4195941884	0.88	CC(C1(C(C2CCCCC=2)=O)CC1)C
MCULE-2243940623	0.88	C1CC2CC2CCC(=O)C=1
MCULE-5564101474	0.88	C1C(CC(CC=1C)(C)C)=O
MCULE-4187355503	0.88	CC1CC(C(C2CCCCCCC=2)=O)C1
MCULE-8414068028	0.88	C1(CCCCCC=1)C=O
MCULE-5281461360	0.88	C1(=O)C=CCCCC1
MCULE-4391727742	0.88	C1C(CC(CC=1C)C)=O
MCULE-6370581589	0.88	CC=CC(CC1C2C=CC(CC2)C1)=O
MCULE-9704056914	0.88	O=C(C1CCCCCCC=1)C1C2(CC2)C1
MCULE-5575338469	0.88	C/C(/C)=C/C(CC1C2C=CC(CC2)C1)=O
MCULE-1064684832	0.88	C1(CCCC)C(=O)CC(C)(C)CC=1C
MCULE-5466118884	0.88	C1C(CCCCC=1C)=O
MolPort-046-774-258	0.88	O=C1CCC2(CCCCCC2)C=C1
MolPort-044-832-300	0.88	CC1(C)[C@@H]2C[C@H]1C(=O)C=C2
MolPort-019-992-002	0.88	O=C1CCC2(CCCC2)C=C1
MolPort-003-913-461	0.88	O=C1CC2CCCCC2=C1
MolPort-000-146-079	0.88	CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
MolPort-000-706-765	0.88	CC1=CC(=O)C2CC1C2(C)C
MolPort-046-203-126	0.88	O=C1CC2(CCCCC2)C=C1
MolPort-038-386-020	0.88	CC(CC(=O)C=C(C)C)C1CCC(C)=CC1=O
MolPort-002-506-988	0.88	CC1=CC(=O)CC(C)(C)C1=O
MolPort-027-949-819	0.88	CCC1(CC)CCC(=O)C=C1
MolPort-044-623-113	0.88	CCC1CCC(=O)C=C1
MolPort-044-615-516	0.88	CC(C)(C)C1CCC(=O)C=C1
MolPort-020-858-906	0.88	O=CC1=CCCCCC1
MolPort-022-056-577	0.88	CCC1=CC(=O)CCC1
MolPort-000-701-433	0.88	CC1=CC(=O)CC(C)(C)C1
MolPort-019-997-258	0.88	CC(C)C1CC=C(C)C(=O)C1
MolPort-006-111-488	0.88	CC(C)C1CCC(=O)C=C1
MolPort-023-197-958	0.88	CCC1(C)CCC(=O)C=C1
MolPort-003-931-189	0.88	CC1=CC(C)(C)CCC1=O
MolPort-003-926-743	0.88	O=C1CCCCC=C1
MolPort-001-781-500	0.88	CC1CC(C)=CC(=O)C1
MolPort-027-836-194	0.87	CCCCC\C=C(\CCCC)C=O
MolPort-009-018-267	0.87	CCCCCC(=O)\C=C/C=O
MolPort-002-507-663	0.87	CC(C)\C=C1\CCCCC1=O
MolPort-001-794-216	0.87	O=CC1=CCCCC1
MolPort-000-719-788	0.87	CC(C)\C=C1/CCCCC1=O
MCULE-7619150531	0.87	CCCCC/C=C(\C=O)/CCCC
MCULE-9092365556	0.87	C(=O)C(CCCC)=CCCCCC
MCULE-4497275799	0.87	C1(CCCCC1=O)=CC(C)C
MCULE-2256614888	0.86	C1(=O)C(C)(C)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O
MCULE-4042007732	0.86	C1(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O)=O)=O
MCULE-3936888193	0.86	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC1CC(C)=C(C)CC21C(C)=O
MCULE-2587582031	0.86	O=C1CCC2(C)C3CC(C4(C)C(CC(C4C3CCC2=C1)=O)C(C)=O)=O
MCULE-1201927354	0.86	C1(C(CC)(CC)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C(CC)(CC)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O)=O)=O
MCULE-1177617044	0.86	C1(=O)CC23CC2(CCC3)C=C1
MolPort-006-822-493	0.86	CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C=O
MolPort-002-706-878	0.86	CC(=O)C12CC(C)=C(C)CC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
MolPort-046-765-408	0.86	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-002-506-993	0.85	CC(=C)[C@H]1CCC(C=O)=CC1
MCULE-7458844213	0.85	O=C(C1CCCC=1)C1CC2C(C2)CC1
MCULE-1020785874	0.85	O=C(C12CCCC1C2)C1CCCCCC=1
MCULE-5865441641	0.85	O=C(C1CCCC=1)CC1CC2C(C2)CC1
MCULE-3175746942	0.85	C12(C)C(=O)C=CC(CC1)C2(C)C
MCULE-2913420738	0.85	C(C)(=C)C1([H])CCC(=CC1)C=O
MCULE-1373086617	0.85	O=C(C1CCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
MCULE-6041020600	0.85	C12C(=O)C=CC(C1)CC2
MCULE-4900297288	0.85	CC1CC(CC2CC=CC2)=CC(=O)C1
MCULE-8316425336	0.85	O=C(C12CCCCC1C2)C1CCCC=1
MCULE-8777632906	0.85	O=C(C1CCCC=1)CC1CC2C(C2)C1
MCULE-2754957448	0.85	O=C(C1CCCC=1)C1C2C(C2)CCC1
MCULE-1776810440	0.85	C=C(C)[C@H]1CCC(C=O)=CC1
MCULE-5300332080	0.85	O=C(C1CCCCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
MCULE-7221367574	0.85	O=C(C12CCCC1C2)C1CCCC=1
MCULE-2280015640	0.85	C(C)(=C)[C@@]1([H])CCC(=CC1)C=O
MCULE-1327216619	0.85	CC1(CC(CC2CC=CC2)=CC(=O)C1)C
MCULE-8108304567	0.85	C/C(/C)=C/CCC1CC(C)(C)CC(=O)C=1
MCULE-8220979425	0.85	CC1CC(CC/C=C(\C)/C)=CC(=O)C1
MCULE-4785640334	0.85	CC1CC(C(C2CCCC=2)=O)C1
MCULE-4387476121	0.85	C1C2CC=C(C)C(=O)C1C2(C)C
MCULE-6302987664	0.85	O=C(C1CCCC=1)C1C(C2CC2)C1
MCULE-4005939250	0.85	C12(C)CCC3C(CCC4CCCCC34C)C1CC(=CC(C)C)C2=O
MCULE-2358765585	0.85	O=C1CCCC2C(C(C(C)(C)C1=2)C)(C)C
MCULE-2807643168	0.85	C1(C)CC(=O)C=C1CCCCC
MCULE-2850571893	0.85	O=C(C1CCCCCC=1)C1C(C2CC2)C1
MCULE-6661177248	0.85	CC1CC(C(C2CCCCCC=2)=O)C1
MCULE-7999733772	0.85	C1CCCCCC2C(C)(C)CC(=O)C2=CCCC1
MCULE-2011218266	0.85	CC(C(C1CCCCCC=1)=O)C1CCC1
MCULE-6989137991	0.85	C1C(=O)CCC2([H])CC2([H])C=1
MCULE-6481056517	0.85	CC(C(C1CCCC=1)=O)C1CCC1
MCULE-8800846446	0.85	CC(C1C(C(C2CCCC=2)=O)C1)(C)C
MCULE-8226891771	0.85	CC(C1(C(C2CCCCCC=2)=O)CC1)C
MCULE-7695357226	0.85	O=C(C1CCCC=1)C1CC2(CCC2)C1
MCULE-5102413219	0.85	O=C(C1CCCCCC=1)C1C2(CC2)C1
MCULE-1578387226	0.85	O=C(C1CCCC=1)CC1CC=CC1
MolPort-006-126-764	0.85	CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C
MolPort-001-793-302	0.84	CC1=CC(=O)CCC1
MolPort-046-025-087	0.84	CCC1=CCCCC1=O
MolPort-046-774-142	0.84	CCC1CC=CC(=O)C1
MCULE-5676927364	0.84	C(=O)(CC(C)C)C1CCCC=1
MCULE-8714614317	0.84	C=CC(CC1C2C=CC(CC2)C1)=O
MCULE-5212919737	0.84	CC(C(CC1C2C=CC(CC2)C1)=O)=C
MCULE-6849313207	0.84	CC1CCCC(=O)C=1
MCULE-2588670002	0.84	C1(CCCC=1)C(CCC)=O
MCULE-5060620930	0.84	CC(C=O)(CC1C2C=CC(CC2)C1)C
MCULE-4852376400	0.84	O=CCCC1C2C=CC(CC2)C1
MCULE-6531167311	0.84	CC(CCC1C2C=CC(CC2)C1)=O
MCULE-3830868177	0.84	CC1CC(CC2CC=CCC2)C(=O)CC1
MCULE-4490380859	0.84	O=C1CCC2(C)C3CC=C4C5(CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2(C1(C)C)[H])[H]
MCULE-2814899152	0.84	O=CC1(CCCCC1)CC1CC=CCC1
MCULE-1741751705	0.84	C[C@]12[C@@]3(CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC=C1[C@H]1[C@H](CCC(C1)(C)C)CC2)C
MCULE-2936092419	0.84	CC(C(C)=O)CC1C2C=CC(CC2)C1
MCULE-3225619905	0.84	C1(C(=O)C=CC(=O)C=1)C[C@]1(C)[C@@H](C)CC[C@]2(C)C(=CCC[C@@H]12)C
MolPort-039-052-597	0.84	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	0.84	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-039-052-487	0.84	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-023-299-007	0.83	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-004-960-127	0.83	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-046-793-097	0.83	CC(=O)[C@H]1CC=C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-509-201	0.83	CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
MolPort-002-911-134	0.83	CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2=O
MolPort-002-070-296	0.83	C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MCULE-5461214891	0.83	[C@]12([H])C(=O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)C
MCULE-4315440442	0.83	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](/C=C/[C@@H](CC)C(=C)C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-6238783971	0.83	[C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
MCULE-7455827757	0.83	C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
MCULE-7241385729	0.83	C1(=O)C=C(C)CC(C)(C)C1C(C)=O
MCULE-1638755617	0.83	O=C(C)C1C(C=C(C)CC1)=O
MCULE-9740579162	0.83	C1(C(C)=O)CC(=O)C(C)=CC1
MCULE-8192482534	0.83	O=C1C=CC2(C)C(C1)CC=CC2
MCULE-4547070816	0.83	C1(=O)C(C)(C)C(=O)CCC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)CCC(=O)C(C)(C)C(=O)C=C1
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-002-507-391	0.83	C\C=C\C(=O)C1=C(C)CCCC1(C)C
MolPort-046-674-170	0.82	O=C1CC2(CCC2)C=C1
MolPort-045-998-145	0.82	O=C1C=CC(=O)C11CCCCC1
MolPort-046-508-800	0.82	O=C1CC2(CCCC2)C=C1
MolPort-022-257-993	0.82	O=C1CC2CCCCCC2=C1
MolPort-046-646-770	0.82	O=C1CC2(CCCCCC2)C=C1
MCULE-2320815624	0.82	C1CC2C(=O)CC(C)C=2CC1
MCULE-1282304829	0.82	C/C(/C)=C/CCC1CCCCC(=O)C=1
MCULE-8557116567	0.82	C12([H])C(C)CCC1([H])C(C)=CC2=O
MCULE-4928649557	0.82	C1CC2C(=O)CC(C)(C)C=2CC1
MCULE-8255659287	0.82	C1(=O)CCC(CC=C)(C)C=C1
MCULE-4594101266	0.82	C1CC2(C)CC(=O)C=C2C1
MCULE-6900112057	0.82	C1CCCC2C(=O)CC(C)C=2CCCCCC1
MCULE-3625394348	0.82	O=C1C=C(CC2CC=CC2)CCCC1
MCULE-5633160153	0.82	O=C1C=C(CC2CC=CC2)CC1
MCULE-9382333306	0.82	C1(C)(C)CC(=O)C2=C(C)CCC12
MCULE-1175519180	0.82	C1C2C(=O)CCC=2CCC1
MCULE-7439135180	0.82	CC(C1(C(C2CCCC=2)=O)CC1)C
MCULE-1027304648	0.82	O=C(/C=C1\CCCCC\1)CC1CC=CC1
MCULE-5078166082	0.82	C1C[C@@]2([H])[C@@](C)(CC[C@H]([C@@]2(CC/C(/C=O)=C\C(=O)O)C)C)C(C)=C1
MCULE-1070952436	0.82	C1=CC2C3C4C5C6(C(=O)C=CC(=O)C26C4C=C5)C13
MCULE-7244392169	0.82	C1(=O)C2CCCC=2C(=O)C23CC12CCC3
MolPort-046-646-759	0.82	O=C1C=CCC11CCCCC1
MolPort-046-792-980	0.82	CCCCCC\C=C1\CCCC1=O
MolPort-005-944-829	0.82	C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CC\C(C=O)=C/C(O)=O
MolPort-042-624-003	0.81	CC1CC=CC(=O)C1
MolPort-046-596-343	0.81	C[C@]12CCC3C(CC[C@H]4CC=CC[C@]34C)C1CCC2=O
MolPort-035-921-888	0.81	CC1(C)CCC=CC1=O
MolPort-042-620-286	0.81	CC1CCC(=O)C=C1
MolPort-005-932-642	0.81	C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-762-299	0.81	C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CC=CC[C@]34C)[C@H]1CCC2=O
MolPort-001-781-871	0.81	CC1=CCCCC1=O
MolPort-002-911-107	0.81	CC12CCC3C(CCC4=CCCCC34)C1CCC2=O
MolPort-020-007-892	0.81	C[C@]12CC[C@H]3[C@@H](CCC4CC=CC[C@]34C)[C@@H]1CCC2=O
MolPort-002-509-792	0.81	C[C@]12CCC3[C@@H](CC[C@H]4CC=CC[C@]34C)C1CCC2=O
MolPort-022-878-843	0.81	CC1CCC=CC1=O
MolPort-009-680-198	0.81	CC1(C)CC=CC(=O)C1
MolPort-002-498-166	0.81	CC1(C)CCC(=O)C=C1
MolPort-042-665-810	0.81	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C=C)[C@H]3CC[C@]12C
MolPort-016-584-574	0.81	CCCC12CCC(=O)C=C1CCCC2=O
MolPort-001-767-705	0.81	C[C@]12CCC(=O)C=C1CCCC2=O
MolPort-001-781-972	0.81	CC12CCC(=O)C=C1CCCC2=O
MolPort-002-054-253	0.81	CC1=C2CCCC(=O)[C@@]2(C)CCC1=O
MCULE-7199540909	0.81	O=C(C1CCCCC1)CC1CC=CCC1
MCULE-5790792765	0.81	O=C1C(CC2C3C=CC(CC3)C2)CCC1
MCULE-5124770449	0.81	C1(=O)CCC(C)(C)C=C1
MCULE-5966520622	0.81	C1C[C@@]2([H])[C@](C)(CC=1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2
MCULE-6337171250	0.81	[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
MCULE-2614181271	0.81	CC(C(CC1C2C=CC(CC2)C1)=O)(C)C
MCULE-8109491654	0.81	[C@]12(C)CC[C@H]3[C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)[C@@H]1CCC2=O
MCULE-4409286429	0.81	O=C1CCC2(C)C1(CCC1(C)C3(C)CCC4(C)CCC(C)(C)CC4(C3=CCC21)[H])[H]
MCULE-9756913466	0.81	C12CCC3=CCCCC3C1CCC1(C)C(CCC21)=O
MCULE-3020606954	0.81	O=C1CC(C)(C)C2CC=CCC2C1(C)C
MCULE-5588914917	0.81	O=CC1(CCC1)CC1C2C=CC(CC2)C1
MCULE-4126238786	0.81	O=CC1(CC1)CC1C2C=CC(CC2)C1
MCULE-6245248136	0.81	C1(C)=CCCCC1=O
MCULE-4823416344	0.81	CC(C1(CC1)CC1C2C=CC(CC2)C1)=O
MCULE-1811364024	0.81	C1(C)(C)C(=O)C=CCC1
MCULE-3227878705	0.81	[H]C12CC=CCC1(C)C1CCC3(C)C(CCC3C1CC2)=O
MCULE-3774162320	0.81	C1(=O)CC(C)(C)CC=C1
MCULE-8989542766	0.81	C12C3C(C4(C)C(CC3)CC(=O)CC4)CCC=1C(CC2)(C)C
MCULE-7214232871	0.81	C1C2=CCCC(C(C)C)C2CC(C=O)C1C
MCULE-8573249352	0.81	[H]C12CC=CCC1(C)C1CCC3(C)C(CCC3C1CC2)C(C)=O
MCULE-3814030883	0.81	[C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)C1CCC2=O
MCULE-3803033906	0.81	[C@]12(C)CCC(C=C1CCCC2=O)=O
MCULE-4596748719	0.81	C12(CCC)CCC(C=C1CCCC2=O)=O
MCULE-5394370706	0.81	C12CCCC(=O)[C@@]1(C)CCC(=O)C=2C
MCULE-2454891288	0.81	C12(C)CCC(C=C1CCCC2=O)=O
MCULE-4552456295	0.81	O=C1CCC2(C)C3CCC4(C)C(=CC=C)CCC4C3CCC2=C1
MCULE-4736378843	0.81	CC(C=O)(CC1CC=CCC1)C
MCULE-8997101380	0.81	CC(C=C(CC1CCCCC1)C)=O
MCULE-1921650357	0.81	C1(/CC[C@@](CC/1=O)([H])C)=C(\C)/C
MCULE-3057400120	0.81	C/C(/C)=C/C(CC1C2CCC(CC2)C1)=O
MCULE-7311518942	0.81	CC=CC(CC1C2CCC(CC2)C1)=O
MCULE-3424177321	0.81	CC(C=CC1CCCCC1)=O
MCULE-2429728192	0.81	CC(C=CC1C2CC3CC(C2)CC1C3)=O
MCULE-4078078854	0.81	CC(C(C)=O)CC1CC=CCC1
MCULE-6326954661	0.81	C1(/CCC(CC/1=O)([H])C)=C(\C)/C
MCULE-8961312077	0.81	C(CC(C)CC(C)(C)C)=CC(CC(C)C)=O
MCULE-3385582028	0.81	C1(/CC[C@@](CC/1=O)([H])C)=C(\C)/C
MCULE-5070166283	0.81	C1(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=C1)=O)=O)=O)=O
MolPort-006-118-512	0.81	CC(=O)C=CC1CCCCC1
MolPort-001-793-332	0.81	C[C@@H]1CCC(=C(C)C)C(=O)C1
MolPort-002-537-951	0.81	CC(C)CC(=O)\C=C\CC(C)CC(C)(C)C
MolPort-039-242-760	0.81	CC(=O)\C=C\C1CCCCC1
MolPort-001-766-015	0.81	CC1CCC(=C(C)C)C(=O)C1
MolPort-046-147-057	0.81	CC(=C)[C@H]1CC(C)=C(C)C(=O)C1
MCULE-6708433496	0.80	C12CCC1C(=O)C=C2
MCULE-7541137822	0.80	O=C1C=C(C2(C)C(C)C(C)C12C)C
MCULE-5633538128	0.80	C12CCCC1(C)CC(=O)C=2C
MolPort-003-925-033	0.79	CCCCCC1=C(C)CCC1=O
MolPort-000-837-794	0.79	CCCCCCC1=CCCC1=O
MolPort-046-691-388	0.79	C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C=O
MolPort-001-790-818	0.79	CCCCCC1=CCCC1=O
MCULE-1566569432	0.79	[C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(CC)O)CCC12)=O
MCULE-8997971805	0.79	[C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(C)O)CCC12)=O
MCULE-2488250148	0.79	C12C=CC(C34CC=CCC13C=C4)C1C(=O)C=CC(=O)C21
MCULE-4531694532	0.79	C1=CC2C3C=CC3C1C1C(=O)C=CC(=O)C12
MCULE-6930955162	0.79	C1(CCCCC)C(=O)CCC=1C
MCULE-2643922279	0.79	C1(CCCCC)=CCCC1=O
MCULE-1287633510	0.79	C1(CCCCCC)=CCCC1=O
MCULE-8371261917	0.79	CC1C(=O)C2C(C3C=CC2C3)C(=O)C=1
MCULE-6858813637	0.79	C1=CC2CC1C1C(=O)C=CC(=O)C21
MCULE-3619310950	0.79	[C@]12(C=O)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
MCULE-1445062394	0.79	C12(C)CC(C3C(C=CC(=O)C31)=O)C(C)=C2
MCULE-1981040221	0.79	C1CC2C3C(C)([H])C4C(=O)C=CC(=O)C4C(C)([H])C=3C1C2
MCULE-9696156059	0.79	C12CC(C3C(=O)C=CC(=O)C13)C1=C2C2CC1CC2
MCULE-1953446416	0.79	C12=CC(CC[C@]1(C)[C@@]1([H])CC[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CC2=C)=O)=O
MCULE-6674224748	0.79	C[C@@]12C(=O)CC[C@]1([C@]1([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)C(=C)C1)[H])[H]
MCULE-7929696567	0.79	C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O
MCULE-5595700484	0.79	[H]C12CC=CCC1(C)C1CCC3(C)CCCC3C1C(C2)=O
MCULE-4639928435	0.79	C1CC2(C)C3CCC4(C)C(C(C)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-5841728721	0.79	O=C1CC2(CC=C3C4CCC(C(C)CCC(C)C(C)C)C4(C)CCC3C2(C)C1)[H]
MCULE-5866062254	0.79	O=C(C1CC1)CC1C2C=CC(CC2)C1
MCULE-3406692868	0.79	CC1(C(CC2C3C=CC(CC3)C2)=O)CC1
MCULE-7855057974	0.79	O=C(C1CCC1)CC1C2C=CC(CC2)C1
MCULE-1280449807	0.79	CC1C(C(CC2C3C=CC(CC3)C2)=O)C1
MolPort-002-521-192	0.79	C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C=O)C1CCC2=O
MolPort-005-938-309	0.79	C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-001-836-053	0.79	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=O)C1CCC2=O
MolPort-016-634-464	0.79	CC1=CC(=O)C2C3CC(C=C3)C2C1=O
MolPort-003-179-188	0.79	CC1=CC2(C)CC1C1C2C(=O)C=CC1=O
MolPort-035-706-531	0.79	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	0.79	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-035-706-300	0.79	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-002-510-659	0.79	CC(=O)[C@H]1CCC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-046-792-981	0.79	CCCCC\C=C1\CCCC1=O
MolPort-019-936-770	0.79	CC(=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3
MolPort-002-915-936	0.78	CC1=CC(=O)C(CCCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O
MolPort-002-915-935	0.78	CC1=CC(=O)C(CCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O
MolPort-002-915-848	0.78	O=C1C=CC(=O)C(CCCCCCC2=CC(=O)C=CC2=O)=C1
MolPort-046-691-207	0.78	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C(=O)CCC[C@]12C
MolPort-003-940-301	0.78	C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC=C2
MolPort-004-748-423	0.78	CC(C)=CC(=O)C1CCC(=O)CC1
MolPort-002-510-272	0.78	CC(=O)\C=C\CC1[C@H]2CC[C@H](C2)C1(C)C
MCULE-3468058170	0.78	C1(CCCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O
MCULE-8485600766	0.78	O=C1C(C(C)(C)CC(C)(C)C)=CC(C(C(CC(C)(C)C)(C)C)=C1)=O
MCULE-2300065923	0.78	C1(CCCCCCC2=CC(C=CC2=O)=O)=CC(C=CC1=O)=O
MCULE-9582195314	0.78	C1(CCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O
MCULE-7859787767	0.78	CC(C(CC1CC=CCC1)=O)(C)C
MCULE-9061110786	0.78	C(=C(/C)\C)\C(=O)C1CCC(CC1)=O
MCULE-1031499239	0.78	CC1(CC(=O)CC1)CC1CC=CCC1
MCULE-5523359511	0.78	C1(CCCC=1)C(CC)=O
MCULE-6811826956	0.78	C12(C)CCC(=O)CC1CCC1C3C(CCC21)=C(C)CC3
MCULE-7116827600	0.78	O=CC1(CCC1)CC1CC=CCC1
MCULE-4878329713	0.78	O=CC1(CC1)CC1CC=CCC1
MCULE-9623046872	0.78	C1(=CCCC1)C(=O)C
MCULE-7459604539	0.78	O=C1C(CC2CC=CCC2)CCCCC1
MCULE-3486573074	0.78	CC1C(=O)CCC1CC1CC=CCC1
MCULE-2076771260	0.78	O=C1CC(CC2CC=CCC2)CCCC1
MCULE-6708778199	0.78	CC(/C=C1\CCC2(CC2)CC\1)=O
MCULE-9709274473	0.78	CC(C=C1C2(CCCCC2)CC1)=O
MCULE-4904029240	0.78	C(C(C)C)(=O)C1CCCC=1
MCULE-5395136417	0.78	[H]C1(C)C2(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C2CCC1=O)[H]
MCULE-7908633302	0.78	CC1C(C=O)(CC2CC=CCC2)CCC1
MCULE-9608185744	0.78	CC1CC(C=O)(CC2CC=CCC2)CC1
MCULE-4641005233	0.78	O=CC1(CCCC1)CC1CC=CCC1
MCULE-8979245765	0.78	O=C1C(CC2CC=CCC2)CCC1
MCULE-3639141823	0.78	CC(C1(CC1)CC1CC=CCC1)=O
MCULE-5149400241	0.78	CC(C=C1C(C2CC2)CCCC1)=O
MCULE-6489078705	0.78	C1CC2([H])C(=O)C=CC(=O)C2([H])CC=1
MCULE-6744252540	0.78	C1(=O)CC(CC=C1C)C(C)=C
MCULE-7861636306	0.78	C1(=O)C[C@@H](CC=C1C)C(C)=C
MCULE-7452592467	0.78	C1(=O)C[C@@H](CC=C1C)C(C)=C
MCULE-1451736151	0.78	C1(C(=CC[C@H](C(C)=C)C1)C)=O
MCULE-4060282567	0.78	O=C1C(C)(C)C2(C)C3C(C=CC(C3C1(C)C(C)=C2C)=O)=O
MolPort-001-769-671	0.78	CC(=C)[C@H]1CC=C(C)C(=O)C1
MolPort-002-506-968	0.78	CC(=C)C1CC=C(C)C(=O)C1
MolPort-001-834-902	0.78	O=C1C(CCCC1=C1CCCCC1)=C1CCCCC1
MolPort-002-507-612	0.78	CC(=C)[C@@H]1CC=C(C)C(=O)C1
MolPort-006-131-526	0.77	CCCC\C=C/CCCCCCCCCCCC=O
MolPort-006-133-633	0.77	CCCCCC\C=C/CCCCCC=O
MolPort-009-681-959	0.77	CC(=O)C=C1CCCCC1
MolPort-003-928-545	0.77	CCCC\C=C/CCCCCCCCCC=O
MolPort-022-880-989	0.77	O=C1CCCCCCC\C=C/CCCCCCC1
MolPort-038-900-529	0.77	C=CC(=O)C1=CCCC1
MCULE-9564685678	0.77	C(CCCCCCCC=CCCCCCCCC)(CCCCCCCC=CCCCCCCCC)=O
MCULE-5668746450	0.77	C(=CCCCC)CCCCCCCCCC=O
MCULE-7025674174	0.77	C(C=CC(=O)C)CCCCC
MCULE-2742423586	0.77	O=C1CCCCCCCC=CCCCCCCC1
MCULE-2363731744	0.77	C1(C)(C(CCC2(C)C1CC(=O)C=C2C)C)CC/C(/C)=C/C(O)=O
MCULE-4464327459	0.77	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-1990275167	0.77	C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-1065645853	0.77	[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2(C)O)C)=O
MCULE-8721567365	0.77	[C@@]12(C)C(O)CC[C@@]1([H])[C@]1([C@@]([H])(C3CCC(C=C3CC1)=O)CC2)[H]
MCULE-1385714254	0.77	C123C4C5C6C(C1(C(=O)C=C2C)C5C=C4)C=CC36
MCULE-5063748511	0.77	C12CCC3=CC([C@H](C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-3188056951	0.77	C1(=O)CC2C(C)(CCC(C2(C)CC/C(/C)=C\C(=O)O)C)C(C)=C1
MCULE-9209606443	0.77	C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
MCULE-3333652397	0.77	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2O)C)=O
MCULE-5773428311	0.77	C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
MCULE-1657159254	0.77	[C@@]12(C)[C@@H](O)CC[C@@]1([H])[C@]1([C@@]([H])([C@H]3CCC(C=C3CC1)=O)CC2)[H]
MCULE-1660040884	0.77	C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4)([H])[C@]1([H])CC[C@@]2(O)C
MCULE-2605863241	0.77	C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
MCULE-7998597001	0.77	C[C@H]1[C@H]2[C@H]3[C@](C)(CC[C@@H]2[C@@H]2C(=CC(CC2)=O)C1)[C@](O)(C)CC3
MCULE-3841271177	0.77	C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2
MCULE-3945869814	0.77	C12C(=O)C[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CCC1C=2CC[C@@]2([C@]1(C)CC[C@@H](O)C2)[H]
MCULE-3946245376	0.77	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(C)O)C)=O
MCULE-4241274271	0.77	C1(=O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
MCULE-5274452426	0.77	[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
MCULE-1426909577	0.77	C1(=O)C[C@@]2([H])[C@H](C)CC(=O)/C(=C(\C)/C)/[C@@]2([H])C=C1C
MCULE-4819154807	0.77	C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
MCULE-1294118086	0.77	[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)=O
MCULE-9131674305	0.77	O=C1CCC2(C)C3CCC4(C)C(CO)CCC4C3CCC2=C1
MCULE-2653535248	0.77	C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
MCULE-1455068472	0.77	C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1
MolPort-019-997-276	0.77	C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O
MolPort-046-765-340	0.77	C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-000-146-103	0.77	CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-911-071	0.77	C[C@@H]1CC2(C)C3CCC4(C)C(CC[C@]4(C)O)C3CCC2=CC1=O
MolPort-002-911-080	0.77	C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
MolPort-035-706-199	0.77	C[C@@H]1CC(=O)C([C@H]2C=C(C)C(=O)C[C@@H]12)=C(C)C
MolPort-006-668-526	0.77	CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C\C(O)=O
MolPort-046-793-201	0.77	C[C@]12CC[C@H]3[C@@H](CCC4=C[13C](=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-006-111-052	0.77	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-039-338-302	0.77	C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
MolPort-046-765-861	0.77	[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-006-069-421	0.77	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-005-944-708	0.77	C[C@]12CCC[C@](C)(C1CCC1=CC(=O)CCC21)C(O)=O
MolPort-038-386-656	0.77	CC1C(CCC(O)=O)C2CCCCC2=CC1=O
MolPort-005-937-958	0.77	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-002-911-141	0.77	CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-911-148	0.77	CCC1=C2CCC3C4CC[C@](C)(O)C4(C)CCC3C2(C)CCC1=O
MolPort-004-285-983	0.77	CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-046-765-469	0.77	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-039-338-398	0.77	C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O
MolPort-003-849-312	0.77	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
MolPort-046-765-461	0.77	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	0.77	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-046-793-369	0.77	[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-046-691-031	0.77	[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-001-741-118	0.77	C[C@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-001-742-304	0.77	CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O
MolPort-046-690-504	0.77	C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-742-412	0.77	CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O
MolPort-002-507-282	0.77	CC1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-764-442	0.77	[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-001-740-351	0.77	CC(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-046-596-387	0.77	CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-507-387	0.77	C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-785-932	0.77	CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-526-059	0.77	C[C@]1(O)CCC2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
MolPort-046-596-410	0.77	C[C@]1(O)CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
MolPort-001-740-574	0.77	CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C/C(O)=O
MolPort-046-765-305	0.77	CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O
MolPort-046-693-157	0.77	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-002-520-919	0.77	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CCC2O
MolPort-001-740-352	0.77	C[C@@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-046-417-742	0.77	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-042-620-890	0.76	O=C[C@@H]1C[C@H]2CC[C@@H]1C=C2
MolPort-001-816-845	0.76	O=C1CCCCC1C1=CCCCC1
MolPort-046-588-886	0.76	O=CC1(CCCCC1)C1=CCCCC1
MolPort-020-173-637	0.76	CC1=CC2CC(C1)CC(=O)C2
MolPort-035-757-790	0.76	CC(=O)C1CC2CCC1C=C2
MolPort-046-702-932	0.76	CCCCC1=CCCC1=O
MolPort-044-651-729	0.76	O=CC1CC2CCC1C=C2
MolPort-001-767-980	0.76	CC1C(C)C(=O)C(C)=C1C
MolPort-001-767-082	0.76	CCCCC1=C(C)CCC1=O
MolPort-002-509-435	0.76	CC(=O)C1=CCC2[C@@H]3CC[C@H]4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-915-854	0.76	CC1=CC(=O)C(CCCC2=CC(=O)C=CC2=O)=CC1=O
MolPort-000-739-273	0.76	CC12CCC3C(CCC4=CC(=O)C=CC34C)C1CCC2=O
MolPort-001-740-071	0.76	C[C@]12CCC3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CCC2=O
MolPort-002-525-755	0.76	CC(=O)C1=CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-690-624	0.76	C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)C3CCC2(C)[C@@]1(C)C(C)=O
MolPort-046-196-627	0.76	CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-506-962	0.76	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-002-506-866	0.76	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-003-666-031	0.76	C[C@]12CCC3C(CCC4=CC(=O)C=C[C@]34C)C1CCC2=O
MolPort-007-980-847	0.76	CC(=O)C1=CCC2C3CC[C@H]4C[C@H](O)CCC4(C)C3CCC12C
MolPort-002-524-060	0.76	C[C@@H]1CC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MCULE-4945902509	0.76	O=C(C1CC2C(C2)C1)CC1CC=CCC1
MCULE-9392152255	0.76	CC1C(=O)C(C)=C(C)C1C
MCULE-3854801059	0.76	C1(CCCC)C(=O)CCC=1C
MCULE-2354192149	0.76	O=C(C12CCCC1C2)CC1CC=CCC1
MCULE-6153090139	0.76	C1C2CCC(CC2C=O)C=1
MCULE-7628079142	0.76	O=C(C1C2C1CCC2)CC1CC=CCC1
MCULE-2232302900	0.76	C1(CC2CCC1C=C2)C(C)=O
MCULE-9093112563	0.76	CC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-1897348776	0.76	O=C1C2CC=CCC2CC2CC=CCC21
MCULE-5216294937	0.76	O=C1C(C2CCCCC=2)CCCC1
MCULE-9625917775	0.76	C1(CCCC2=CC(C=CC2=O)=O)=CC(C(C)=CC1=O)=O
MCULE-2836304314	0.76	[C@]12(C)C=CC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MCULE-7782959791	0.76	C12(C)CCC3C(CCC4=CC(=O)C=CC34C)C1C[C@@H](C)[C@]2(C)C(C)=O
MCULE-9344488087	0.76	C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
MCULE-1263670923	0.76	O=C1C2CCCCC=2C2(CCCC2)C2CCCCC=21
MCULE-3980671232	0.76	C12(C)CCC3C(CCC4=CC(=O)C=CC34C)C1CC(C)C2(C)C(C)=O
MCULE-7487706695	0.76	CC1(C(C(CC2CC=CCC2)=O)C1)C
MCULE-5596219960	0.76	O=C(C1C2(CC2)C1)CC1CC=CCC1
MCULE-3489362645	0.76	CC(C=C1CC2CC(CC2)C1)=O
MCULE-7643707180	0.76	C/C(/C)=C/C(CC1CC2C(C2)C1)=O
MCULE-2910442456	0.76	CC=CC(CC1CC2C(C2)C1)=O
MCULE-3247594562	0.76	C1(=O)C[C@@]2([C@]([H])(C/C/1=C(\C)/C)[C@@]2([H])CCC(=O)C)C
MCULE-1842062313	0.76	CC1(C(CC2CC=CCC2)=O)CCCC1
MCULE-1648678126	0.76	CC1C(C(CC2CC=CCC2)=O)C1
MCULE-4014926214	0.76	CC1CC(C(CC2CC=CCC2)=O)CC1
MCULE-5661083032	0.76	CC1C(C(CC2CC=CCC2)=O)CCC1
MCULE-3080370181	0.76	C1CC2(CC(=O)CC2(C)CC=1)C
MCULE-4407705760	0.76	CC(C=CC1CC2C(C2)CC1)=O
MCULE-7994229276	0.76	O=C(C1CCC1)CC1CC=CCC1
MCULE-5882877418	0.76	C/C(/C)=C/C(CC1CC2C(C2)CC1)=O
MCULE-3589595055	0.76	CC=CC(CC1CC2C(C2)CC1)=O
MCULE-5803858923	0.76	CC(C=CC1CC2C(C2)C1)=O
MCULE-7944143685	0.76	O=C(C1CC1)CC1CC=CCC1
MCULE-6078845553	0.76	CC1CC(C(CC2CC=CCC2)=O)C1
MCULE-8432152948	0.76	CC1(C(CC2CC=CCC2)=O)CC1
MCULE-6482685801	0.76	C1CC2(C)C3C(=O)CC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
MolPort-003-721-207	0.76	CC(=O)CCC1=C(C)CCCC1(C)C
MolPort-046-153-788	0.76	CC(=O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C
MolPort-046-674-687	0.76	O=C1CC2CC=CCC2C1
MolPort-046-153-151	0.76	CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-019-937-181	0.75	CC1CCC2C(=CC(=O)CC2(C)C)C1(C)CC\C(C)=C/C(O)=O
MolPort-005-945-648	0.75	CC(C)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
MolPort-008-155-613	0.75	CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
MolPort-035-706-198	0.75	CC(C)[C@@H]1[C@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
MolPort-046-764-826	0.75	[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-007-980-884	0.75	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
MolPort-039-338-117	0.75	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-001-742-443	0.75	CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C
MolPort-046-793-264	0.75	CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
MolPort-001-742-604	0.75	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-006-394-855	0.75	[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-046-596-275	0.75	C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-035-681-549	0.75	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-028-750-136	0.75	C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-002-507-411	0.75	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C=C
MolPort-002-507-130	0.75	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-039-138-901	0.75	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-039-062-015	0.75	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-019-940-199	0.75	CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-507-146	0.75	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-019-857-808	0.75	CC12CCC3C(C)(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
MolPort-000-739-076	0.75	C[C@H]1CC2C3CC[C@](O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
MolPort-001-837-773	0.75	CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C=C
MolPort-005-938-470	0.75	CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-000-738-106	0.75	CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-002-510-661	0.75	CC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-005-934-866	0.75	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-002-526-228	0.75	C[C@H]1C[C@H]2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-005-932-301	0.75	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MolPort-001-760-005	0.75	O=C1CCCC=C1
MolPort-008-322-980	0.75	CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O
MolPort-003-666-072	0.75	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-044-183-250	0.75	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-046-761-018	0.75	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-002-799-486	0.75	CC(=C)C[C@]12CCC(=O)C=C1CCCC2=O
MolPort-002-524-552	0.75	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-027-835-865	0.75	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-000-855-076	0.75	C\C=C\C(=O)C1C(C)=CCCC1(C)C
MolPort-046-690-133	0.75	[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-027-835-537	0.75	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-046-690-137	0.75	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-002-530-358	0.75	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-023-220-126	0.75	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-001-785-920	0.75	CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(O)=O
MolPort-023-219-645	0.75	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2C(O)=O
MolPort-000-772-330	0.75	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
MCULE-6199732071	0.75	C1(=O)C[C@@]2([H])[C@H](C)C[C@@H](O)[C@@H](C(C)C)[C@@]2([H])C=C1C
MCULE-4676598997	0.75	C12[C@@]3([H])[C@](C)(CC[C@](C)(C(O)=O)C3)CC[C@@]1(C)[C@]1([C@]([H])(C(=O)C=2)[C@@]2(C)CC[C@@H](C(C)(C)[C@@]2(CC1)[H])O)C
MCULE-1251158415	0.75	[C@@]12([H])CC[C@](O)(C(=O)C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
MCULE-6006770933	0.75	CC(C=C(CC1CCCC1)C)=O
MCULE-3741444667	0.75	C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
MCULE-5054990207	0.75	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(CO)=O
MCULE-1785744667	0.75	C1(C[C@@]2([H])[C@H](C)C[C@H](O)[C@H]([C@@]2([H])C=C1C)C(C)C)=O
MCULE-9848650209	0.75	O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)CC[C@@](C(=O)O)(C)C[C@H]4C3=CC([C@@H]12)=O
MCULE-8288730380	0.75	C1C(=O)C2C3CCC(C(C)=C3)C=2C(=O)C=1
MCULE-6305022030	0.75	C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H](C)C[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)C)C
MCULE-2395006256	0.75	O=C1C=C[C@@]2(C)C(C(C[C@@]3([C@@]2(CC[C@@]2(C)[C@]3(CCC2=O)[H])[H])[H])=O)=C1
MCULE-4839802180	0.75	[C@@]12([H])CC[C@H](C(=O)CO)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
MCULE-4728366427	0.75	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(CO)=O)[H]
MCULE-8197236760	0.75	CC12CCC3([H])C4(CCC(=O)C=C4C(C)CC3([H])C1([H])CCC2(O)C(=O)C)C
MCULE-3340613267	0.75	C12(C)C3C(C4C(C)(CC3)C(C(C)=O)CC4)CCC1=CC(=O)CC2=O
MCULE-6552675485	0.75	C12(C)CCC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(C)=O)CCC12)C)=O
MCULE-3390693428	0.75	C12(C)CCC3C(C)(CCC(=O)C=3)C1(C)CCC1(C)C(CCC21C)C(CO)=O
MCULE-3135517908	0.75	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(C)=O
MCULE-5207755083	0.75	C1(CCCC=C1)=O
MCULE-1387376761	0.75	C12CCC(O)C1(C)CCC1=CC(=O)CCC21
MCULE-4919875478	0.75	CC1C(=CC(C)=O)CCCCC1
MCULE-8227436556	0.75	C1(=O)CCCC=CCCCCCCCCCC1
MCULE-1952453345	0.75	C/C(/C)=C/C(C1C(C2CC2)C1)=O
MCULE-9308723337	0.75	CC(C1C(=CC(C)=O)CCCCC1)C
MCULE-1412596642	0.75	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(C)=O)[H]
MCULE-1863648617	0.75	C1[C@@]2(C)C(C(=O)C[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC2=O)=CC(=O)C=1
MCULE-2147959975	0.75	C1[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(O)C(C)=O)=CC(=O)C1
MCULE-4408401941	0.75	CCC1C(=CC(C)=O)CCCCC1
MCULE-4067407974	0.75	C/C(/C)=C/C(C1C(C(C)(C)C)C1)=O
MCULE-9549608104	0.75	C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O
MCULE-7382104000	0.75	CC(C(/C=C(\C)/C)=O)C1CCC1
MCULE-8575606113	0.75	C1(=O)C=C2C(C)(CC/C(/C)=C\C(=O)O)C(C)CCC2C(C)(C)C1
MCULE-8934502311	0.75	C1(=O)CCC2(C)C3CCC4(C)C(C(CO)=O)CCC4C3(C)CCC2=C1
MolPort-005-944-505	0.74	C\C(CCC1C(C)=CC(=O)CC1(C)C)=C/CO
MolPort-035-706-319	0.74	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
MolPort-002-550-644	0.74	O=C1C(CCCC1C1=CCCCC1)C1=CCCCC1
MolPort-023-331-417	0.74	CCC12CC(=C)[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CCC2=O
MolPort-002-538-677	0.74	O=C1C(CC2CCCC(C2=O)C2=CCCCC2)CCCC1C1=CCCCC1
MolPort-044-755-206	0.74	C[C@]12CC[C@H]3[C@@H](C=C[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-020-005-764	0.74	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-003-928-807	0.74	CCCCC\C=C\C(C)=O
MolPort-046-594-349	0.74	CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)CC(C)(CCC=C(C)C)CCC12C
MCULE-4834546197	0.74	C1=C(C)CCC(C=O)C1C
MCULE-6769530046	0.74	C(C1CC=C(CC1C)C)=CC(C)=O
MCULE-2137893098	0.74	C12C(C)(C)CCCC=1CC(C)C(C)(C(C)=O)C2
MCULE-7256161983	0.74	C1(CC(C)(C)C(C(=C1)C)CC/C(/C)=C/CO)=O
MCULE-9253654000	0.74	C1=CC2CC1C1C(=O)C=CC12
MCULE-2282209257	0.74	NC1C(CC(C2CCCCC=2)=O)CCC1
MCULE-5119373215	0.74	NC1CC(C(C2CCCCC=2)=O)C1
MCULE-9728121394	0.74	C1CC(C)(CCC#N)C=CC1=O
MCULE-5956607784	0.74	N[C@H]1[C@H](CC(C2CCCCC=2)=O)CCC1
MCULE-7495390356	0.74	C1(=O)C(CCCC1C1CCCCC=1)CC1CCCC(C2CCCCC=2)C1=O
MCULE-4453341269	0.74	O=C1C2CC(C)=C(C)CC2C(C2CC(C)=C(C)CC21)=O
MCULE-4051240768	0.74	C12C3CCC(=O)C3(C)CCC=1C1C(C)(CC2)CC(=O)CC1
MCULE-9111462538	0.74	O=C1C(C)(C)C2=CCCCC2(C)CC1
MCULE-6601187734	0.74	C1CC23CCC(=O)C2(CCCC3)CC=1
MCULE-5421418726	0.74	C1CC2CCCC=C2C(C)(C)C1=O
MCULE-4900399116	0.74	C1CC2C(=O)C3CC=CCC3C(=O)C2CC=1
MCULE-7230877379	0.74	O=C1CCC(C2CC=CCC21)=O
MCULE-9251134385	0.74	O=CC=CC1C2CC3CC(C2)CC1C3
MCULE-9513927762	0.74	CC1C2(C)CCC3C4(C)CCC(CC/C=C(\C)/C)(C)CC4(C)CCC3(C)C2CCC1=O
MCULE-9484484276	0.74	C1C[C@@]2([H])[C@]3(C)CC[C@@]4(C)C[C@@](CC/C=C(/C)\C)(C)CC[C@]4(C)[C@@]3([H])CC[C@]2(C)[C@@H](C)C1=O
MCULE-2447853309	0.74	C(=CC(=O)C)CCCCC
MCULE-7703543535	0.74	C1(C)(CC/C=C(\C)/C)CC(C)(C)CC(=O)C1
MCULE-7117901308	0.74	C1CC2(C)C3C(=O)CC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
MCULE-1410261429	0.74	CC(C1CC(=CC(O)=O)C(=O)CC1)(C)C
MCULE-7286438796	0.74	CC1(C(=O)C(=CC(O)=O)CCC1)C
MCULE-8993774901	0.74	CCCC1CC(=CC(O)=O)C(=O)CC1
MCULE-2820125963	0.74	CC1CC(=CC(O)=O)C(=O)CC1
MCULE-3617164163	0.74	CC1(CC(=CC(O)=O)C(=O)CC1)C
MCULE-8966822686	0.74	OC(C=CC(C1C2CCC(CC2)C1)=O)=O
MCULE-4434409577	0.74	CC(C1CC(=CC(O)=O)C(=O)CC1)C
MCULE-3226283664	0.74	CC1CC(=O)C(=CC(O)=O)C(C)C1
MCULE-1109890298	0.74	CCC1CC(=CC(O)=O)C(=O)CC1
MCULE-3433336466	0.74	C1=C(C)CC(C(C=O)C1C)C
MCULE-9761993676	0.74	C1=C(C)CC([C@@H](C=O)C1C)C
MCULE-7389041577	0.74	CC1=C(CC=O)C(C)(C)CCC1
MCULE-3149377803	0.74	C1CC(CCC=1C)C(C)=O
MCULE-6735391183	0.74	C12C(C)(C)CCCC=1CC(C)C(C=O)C2
MCULE-4541255966	0.74	C(=CC(C)=O)C1C(C)CC(=CC1C)C
MCULE-3804311142	0.74	C1C2CC(CC(=O)C)C(C2)C=1
MCULE-2325358551	0.74	C1(C(CC)=O)C(C)=CCC(C(C)C)C1
MolPort-046-153-152	0.74	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-001-790-179	0.74	CC1=CCCC(C)(C)C1C=O
MolPort-002-507-398	0.74	CCC(=O)C1CC(CC=C1C)C(C)C
MolPort-001-956-819	0.74	CC1C=C(C)CCC1C=O
MolPort-046-790-393	0.74	CC(C)=C1C[C@H]2C(=C)CCC[C@]2(C)CC1=O
MolPort-002-559-654	0.74	CC1CC(C)=CC(C)[C@@H]1C=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-000-787-941	0.74	CC1CC(C)=CC(C)C1\C=C\C(C)=O
MolPort-000-716-292	0.74	CC1CC(C)=CCC1\C=C\C(C)=O
MolPort-029-511-203	0.74	O=C1CCC2=C1CCC2
MolPort-003-895-994	0.74	CC(=O)C1CCC(C)=CC1
MolPort-001-794-307	0.74	CC1=C(CC=O)C(C)(C)CCC1
MolPort-027-845-391	0.74	CC1CCC=C(C)C1C=O
MolPort-000-745-819	0.74	CC1CC(C)=CC(C)C1C=O
MolPort-042-620-773	0.74	CC(=O)C1CCC(C)=C(C)C1
MolPort-039-338-840	0.73	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-035-706-403	0.73	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-046-790-505	0.73	C[C@H]1CC(=O)C=C2CC[C@H](C[C@]12C)C(=C)C(O)=O
MolPort-046-196-745	0.73	C[CH]C1CC[C]2[C]1CCC1[C]3C[CH][C@H](O)C[C@H]3C(=O)C=C21
MolPort-016-638-416	0.73	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-002-709-805	0.73	CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
MolPort-002-507-128	0.73	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-044-637-462	0.73	CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
MolPort-020-005-948	0.73	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-002-530-019	0.73	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-002-516-984	0.73	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-002-841-841	0.73	CC(C)CCCC(C)C1CCC2C(C(CC[C@]12C)[C@@]1(C)CCC(=O)C=C1)C(O)=O
MolPort-028-610-103	0.73	C\C(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)=C/C(O)=O
MolPort-039-052-451	0.73	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-001-742-062	0.73	CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
MolPort-042-675-234	0.73	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	0.73	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-035-706-203	0.73	C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CC=C(C)C(=O)[C@H]12)C(O)=O
MCULE-4914143446	0.73	C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)C1=O
MCULE-3473010637	0.73	O=C1CCC2(C)C3C(O)CC4(C)CCCC4C3CCC2=C1
MCULE-1153477483	0.73	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)(C(=O)CO)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-2400907851	0.73	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
MCULE-8877595522	0.73	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
MCULE-8721851502	0.73	[C@@]12(C)C[C@@H](O)[C@@H]([C@](C)(CCC(C)(O)C=C)[C@@]1([H])CC(=O)C=C2C)C
MCULE-4737898468	0.73	[H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1C(C2)=O
MCULE-2579370760	0.73	C12CCCCC1(C)C=CC1=C(C)C(=O)CCC21
MCULE-6464655857	0.73	C1C[C@@]2([H])[C@H](C)CC[C@@]([H])([C@@H](C)C(=O)O)[C@@]2([H])C(=O)C=1C
MCULE-9765892541	0.73	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
MCULE-2700455616	0.73	C1CC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1O
MCULE-1005769729	0.73	C1C[C@]2(C)C(CC/C(/C)=C/C(=O)O)=C(C)C(=O)CC2C(C)(C)C1
MCULE-6957829896	0.73	[C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O
MCULE-9707443606	0.73	C1C[C@]2(C)[C@@]3([H])C(=O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O
MCULE-5877894053	0.73	C(C)(C)(CC)C1C(C=C(C(C=1)=O)C(CC)(C)C)=O
MCULE-1122672664	0.73	CC(C=C1C2(CCCC2)CC1)=O
MCULE-7704943892	0.73	C1(CC)CC(=O)CCCCC=C1
MCULE-1311521216	0.73	C1C(=O)C=C(C(C)(C)C)C1
MCULE-1556522580	0.73	C1(=O)CCC=CCCCCC1
MCULE-6729235185	0.73	C1(C)(C)C(CC=CC(=O)CC)CC=C1C
MCULE-4205891729	0.73	C1(/CCCC/1=O)=C1\CCCC\1
MolPort-003-891-724	0.73	CCC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)CC
MolPort-000-701-866	0.73	CCCC\C=C1/CCCC1=O
MolPort-002-506-941	0.73	CCCC\C=C1\CCCC1=O
MolPort-003-922-566	0.73	O=C1CCCCC\C=C/CC1
MolPort-000-739-604	0.73	O=C1CCCC1=C1CCCC1
MolPort-006-666-093	0.73	C[C@@]12CCC(=O)C=C1CCC2=O
MolPort-004-959-640	0.73	C[C@]12CCC(=O)C=C1CCC2=O
MolPort-002-915-849	0.73	O=C1C=CC(=O)C(CCC2=CC(=O)C=CC2=O)=C1
MolPort-002-904-272	0.73	CC12CCC(=O)C=C1CCC2=O
MolPort-002-894-037	0.73	CC1=CC(=O)C(CCC2=CC(=O)C(C)=CC2=O)=CC1=O
MolPort-046-647-234	0.72	O=C1C2CCCC1C=CC2
MolPort-002-524-763	0.72	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-046-067-683	0.72	O=C1C2CCC[C@H]1C1=C(CCCC1)C2
MolPort-046-762-734	0.72	CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-000-145-914	0.72	CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C
MolPort-046-509-819	0.72	O=C1CC=CCC11CCCCC1
MolPort-000-830-001	0.72	C\C(C=O)=C/CC1=C(C)CCCC1(C)C
MolPort-035-706-329	0.72	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	0.72	CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-940-820	0.72	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-006-394-722	0.72	[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-002-511-910	0.72	C\C(C=O)=C\CC1=C(C)CCCC1(C)C
MolPort-002-513-837	0.72	CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1C1C3C(=O)C=CC1=O
MolPort-019-937-542	0.72	CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O
MCULE-5173487034	0.72	C1C2CC(C=CC2=O)C(=O)C=1
MCULE-3460481488	0.72	C1(=O)C=C2[C@](C)(C(=O)CC2)CC1
MCULE-4203969651	0.72	C1(=CC(C(C)=CC1=O)=O)CCC1=CC(C(C)=CC1=O)=O
MCULE-8456618809	0.72	C12(C)CCC(=O)C=C1CCC2=O
MCULE-8302753934	0.72	C1(=CC(C=CC1=O)=O)CCC1=CC(C=CC1=O)=O
MCULE-5099561644	0.72	O=C1CCC2=CC(CC[C@@]21C)=O
MCULE-9487562113	0.72	[C@@]12(C)CCC(=O)C=C1CCC2=O
MCULE-7072600101	0.72	C1(C(C)=CCCC1(C)C)C=C(C)C(=O)C
MCULE-1130296851	0.72	[C@]12(C)CCC3[C@@]([H])(CC=C4CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CC[C@@H](CC)C(C)C
MCULE-7911152718	0.72	O=C1CCC2(C)C3CCC4(C)CCCC4C3CC=C2C1(C)C
MCULE-6918609415	0.72	C1(C(C)(C)CCCC=1C)CC=C(C)C=O
MCULE-1780261202	0.72	O=C1CCC2(C)C(C1(C)C)=CCC1C2CCC2(C)C(C(C)CCCC(C)C)CCC21
MCULE-7022735372	0.72	C1(=O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
MCULE-9964577766	0.72	CC1CC(CC2CC=CC2)C(=O)CC1
MCULE-8669270506	0.72	C(C(=O)C1CC1)=C(C)C1CC1
MCULE-4119972169	0.72	O=CC1(CCCCC1)CC1CC=CC1
MCULE-6700194065	0.72	C(/C(=O)C1CC1)=C(\C)/C1CC1
MCULE-1243509764	0.72	C/C(/C)=C/CCC1C(=O)CCCC1
MCULE-4533311081	0.72	CC1CC(CC/C=C(\C)/C)C(=O)CC1
MCULE-7136129743	0.72	CC1CC(C=O)(CC2CC=CC2)CCC1
MCULE-9566632126	0.72	CC1C(C=O)(CC2CC=CC2)CCCC1
MCULE-8792152599	0.72	C1(=CC=O)C2CCC(C2)C1(C)C
MCULE-1763238130	0.72	OC(C=C1C(=O)C2(CCCC2)CCC1)=O
MCULE-6158471262	0.72	OC(C=C1C(=O)CCC2(CCCC2)C1)=O
MCULE-6548574191	0.72	OC(C=C1C(=O)CCC2(CC2)C1)=O
MCULE-1494936871	0.72	OC(C=C1C(=O)CCC(C2CCC2)C1)=O
MCULE-4240902847	0.72	C1(=CC2CCCCC2)C(=O)C(=CC2CCCCC2)CC1
MCULE-1518212379	0.72	NC1CC(C(C2CCCCCCC=2)=O)C1
MCULE-2261620363	0.72	OC(C=CC(C1C2CC(CC2)C1)=O)=O
MolPort-002-706-538	0.72	C\C(=C\C(=O)C1CC1)C1CC1
MolPort-046-589-601	0.71	CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
MolPort-004-831-228	0.71	C\C=C\C(=O)C1C(C)C=CCC1(C)C
MolPort-035-705-911	0.71	CC(=O)\C=C\[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C
MolPort-000-480-394	0.71	CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
MolPort-002-116-770	0.71	CC(=O)C1=C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-019-994-032	0.71	C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-046-761-472	0.71	[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-046-765-329	0.71	C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@H]34)[C@H]1CC[C@@H]2O
MolPort-002-506-874	0.71	CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-524-276	0.71	CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-039-338-083	0.71	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-002-510-335	0.71	CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]12C
MolPort-003-892-478	0.71	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-003-892-389	0.71	CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-046-762-739	0.71	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-002-512-842	0.71	CC1=CCC23CC1C(=O)C=C2CC(C)(C)CC3=O
MolPort-046-149-617	0.71	O=C1CC2C=CCCC12
MolPort-002-841-842	0.71	CC(C)CCCC(C)C1CCC2[C@H](C(CC[C@]12C)[C@@]1(C)CCC=CC1=O)C(O)=O
MolPort-003-958-619	0.71	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-002-800-192	0.71	CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(C1)C#N
MolPort-044-755-198	0.71	C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-765-405	0.71	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
MolPort-002-527-205	0.71	CC(=O)C1=C(C)CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-044-755-191	0.71	C[C@@]12CCC[C@H]1[C@H]1[C@H](CC2)[C@@]2(C)CCC=CC2=CC1=O
MolPort-002-526-574	0.71	CC(=O)C1=CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-526-521	0.71	C[C@]12C[C@@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CCC2=O
MolPort-003-940-126	0.71	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-153-169	0.71	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-042-675-448	0.71	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CCC1C2(C)CCC2C(C)(C)C(=O)C=CC12C
MolPort-005-940-383	0.71	CC(=O)[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	0.71	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-002-507-121	0.71	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-006-069-321	0.71	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-005-940-416	0.71	CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C
MolPort-046-596-273	0.71	CC(=O)C1=C(C)CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-766-682	0.71	CC1=CCCC(C)(C)C1\C=C\C(=O)CCC=C
MolPort-003-003-246	0.71	CCCCCC(=O)\C=C\C(O)=O
MolPort-001-787-631	0.71	CC(C)=C1CCC(C)=CC1=O
MCULE-9151137367	0.71	O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(C)=O
MCULE-4823405948	0.71	[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(CC[C@]21C)=O)=O
MCULE-9449984869	0.71	C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
MCULE-7010605333	0.71	C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@H](C(=O)C)CC3)C[C@@H]2C
MCULE-9656399480	0.71	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C(O)C1=O
MCULE-3562867778	0.71	C1(CC2CC(C=C2)C1)=O
MCULE-7093893764	0.71	C1=CC2C3C(C)([H])C4C(=O)C=CC(=O)C4C(C)([H])C=3C1C2
MCULE-2912938140	0.71	[C@]12(C)CCC3[C@@]([H])(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)C
MCULE-7642562558	0.71	C1(=O)C=C2[C@@](C)(CC1)[C@@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)C)CC3)C=C2
MCULE-1707803932	0.71	CC(=O)[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)C=C3)[H])([H])CC1
MCULE-8925145429	0.71	O=C1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C1O)C)[H])C
MCULE-2420758748	0.71	O=C1C2CC(C3CC=CC23)C1
MCULE-2665091779	0.71	C12(CO)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(CO)=O)[H]
MCULE-7494382495	0.71	C1(C(C)C=CCC1(C)C)C(=O)C=CC
MCULE-8807729080	0.71	[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)=O
MCULE-9358636585	0.71	C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
MCULE-9605736984	0.71	C1CC23C=CC2(CCCC3)CC1=O
MCULE-4586192863	0.71	O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)=O
MCULE-5539918199	0.71	O=C1CCC2(C)C(=C1)C=CC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H]
MCULE-3991713113	0.71	O=C1C=C2[C@@]([C@]3([C@](C=C2)([H])[C@@]2([H])[C@]([C@H](CC2)C(=O)C)(C)CC3)[H])(C)CC1
MCULE-7325515313	0.71	C1=CC2(C)C3CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1=O
MCULE-4690967590	0.71	C12(C)CCC(C=C1C(C)CC1([H])C3(C(C)(C(CC3)C(C)=O)CC(O)C21[H])[H])=O
MCULE-4601922145	0.71	C123CC=C(C)C(C1)C(C=C2CC(CC3=O)(C)C)=O
MCULE-6793463685	0.71	O=C1CCC2(C)C(=C1)CCC1C(O)CCC(O)C21
MCULE-5701652206	0.71	C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
MCULE-1842199780	0.71	C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)[C@H]1O
MCULE-2011201542	0.71	[C@]12(C)CCC([C@H](C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC=CC1=O
MCULE-7472546811	0.71	C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-]
MCULE-2506206785	0.71	[C@@]12(C)C(=O)CCC1[C@]1(C([C@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
MCULE-3556525470	0.71	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC(C)=C2C(C)=O
MCULE-1984145844	0.71	C12(CC(C)(C)CC(C)(CC3CC(C)(C)CC(=O)C1=3)C2)C#N
MCULE-8747875851	0.71	[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])C=CC1=CC(=O)CC[C@]21C)C(=O)C
MCULE-4677342716	0.71	O=C1C(=CO)CC2(C)C(C1)(CC=C1C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21)[H]
MCULE-3533996454	0.71	C(=CC(CCC=C)=O)C1C(C)(C)CCC=C1C
MCULE-9440786663	0.71	O=C1C(=CO)CC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)[H]
MCULE-3839963678	0.71	C(C)(CC(C)CC/C=C(\C)/C)=O
MCULE-2062449314	0.71	C(C(CC(C)C)=O)=CC(C)C
MCULE-6238507819	0.71	C1(/CCCCCCCCCCC/1)=C/C=O
MCULE-7363650943	0.71	O=C1C=CC2(C)C3C(CC4(C)C(CCC4C3CCC2=C1)=O)=O
MCULE-7095338654	0.71	CC1CC=C(C(CC2C(F)(F)C2)=O)CC1
MCULE-7591106214	0.71	C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@](O)(CO)C)C2)[C@@H]1C
MCULE-5935828232	0.71	CC1(C(F)(F)C1)CC(C1CCCCC=1)=O
MCULE-5560129850	0.71	C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@@](O)(CO)C)C2)[C@@H]1C
MCULE-3321386293	0.71	N[C@H]1[C@@H](C(C2CCCCC=2)=O)CCC1
MCULE-9624215577	0.71	FC1(C(CC(C2CCCCC=2)=O)C1)F
MCULE-4392799968	0.71	C1(C=O)CCC(C)=C(C)C1
MCULE-7795288814	0.71	C1CC(C(C)=O)(C)C=CC1
MCULE-3487233745	0.71	C1(C)CC(C)C(CC=1C)C=O
MCULE-9819044866	0.71	C1([C@H](C)CCC([C@@H](CC=CC(C)(C)C1)C)=O)=O
MCULE-2583415836	0.71	CC(CCC=C(CCC1C2(C)C(C(CCC2)(C)C)CC=C1C)C)=O
MCULE-5534930691	0.71	C1CC(CCC=1C)C=O
MCULE-7688284225	0.71	C1(C=O)(C)CCC(C)=C(C)C1
MCULE-9576334626	0.71	C(C1CC(C)=CC(C)C1C)=O
MCULE-7528842962	0.71	C1(C)C[C@H](C)[C@@H](CC=1C)C=O
MolPort-003-960-116	0.71	CCCCCCCC\C=C\C=O
MolPort-006-114-412	0.71	CCCCCCC=CC=O
MolPort-002-507-004	0.71	CC(C)CC(=O)\C=C\C(C)C
MolPort-002-534-267	0.71	O=CC=C1CCCCCCCCCCC1
MolPort-003-929-714	0.71	CCCCCCC\C=C\C=O
MolPort-006-394-264	0.71	CCCCCCCCCCCCC\C=C\C=O
MolPort-001-792-108	0.71	CCCCCC\C=C\C=O
MolPort-022-878-920	0.71	O=CC=C1CCCCC1
MolPort-039-141-882	0.71	C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@@](C)(O)CO
MolPort-002-879-590	0.71	CC1=CC(=O)C2CC1C(C)=CC2=O
MolPort-039-141-884	0.71	C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@](C)(O)CO
MolPort-002-560-310	0.71	CC1=CCC(CC1)C=O
MolPort-000-725-665	0.71	CC1CC(C)=C(C)CC1C=O
MolPort-002-501-996	0.71	CC(=O)CC1CCC=C1
MolPort-002-509-695	0.71	CC(=O)CC\C=C(\C)CCC1C(C)=CCC2C(C)(C)CCC[C@]12C
MolPort-044-623-130	0.71	CC(C)CC1=CC(C)CC1=O
MolPort-006-112-376	0.71	CC(=O)CC1=CCCCC1
MolPort-044-388-915	0.71	CC(=O)CCC=C(C)CCC1C(C)=CCC2C(C)(C)CCCC12C
MolPort-042-622-821	0.71	O=C1CCC(CC1)=C1CCC1
MolPort-002-512-003	0.71	C[C@H]1CC(C)=C(C)C[C@H]1C=O
MolPort-001-793-612	0.71	CC1=C(C)CC(C)(CC1)C=O
MolPort-000-740-021	0.71	CC1CC(C)=CCC1C=O
MolPort-019-922-772	0.71	CC1=C(C)CC(CC1)C=O
MolPort-001-788-520	0.70	O=C1C2C3CC(C=C3)C2C(=O)C2C3CC(C=C3)C12
MolPort-002-904-212	0.70	O=C1C2[C@H]3C[C@H](C=C3)C2C(=O)C2[C@H]3C[C@H](C=C3)C12
MolPort-023-279-166	0.70	CC(C)C1=CC(=O)C=C(C(C)C)C1=O
MolPort-006-115-819	0.70	C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CCC2=O
MolPort-002-904-388	0.70	CCC1=CC(=O)C=C(CC)C1=O
MolPort-000-141-928	0.70	CC(C)(C)C1=CC(=O)C=C(C1=O)C(C)(C)C
MolPort-022-376-663	0.70	BrC1=C(CCCC1)C=O
MCULE-4114109251	0.70	C12C3C4C5C3C1C(C(=O)O)=C(C(=O)O)C5C24
MCULE-9185909244	0.70	C1(=O)C2C3CC(C=C3)C2C(C2C3C=CC(C3)C21)=O
MCULE-5214801115	0.70	C1(C(C)(C)C)=CC(=O)C=C(C(C)(C)C)C1=O
MCULE-5817153512	0.70	C1(=O)C(C(C)C)=CC(=O)C=C1C(C)C
MCULE-1284522477	0.70	C12C3C4C=CC1C(C4C(=O)C3)C(=O)C2
MCULE-6490731029	0.70	C1(CC)=CC(C=C(CC)C1=O)=O
MCULE-9968407696	0.70	OC(C=C1C(=O)C2(CCCCC2)CC1)=O
MCULE-3024404931	0.70	NC1CC(C(C2CCCCCC=2)=O)C1
MCULE-9976634952	0.70	C12CC(=C(C)CC=1C(=O)C1CC(C)=C(C)CC=1C2=O)C
MCULE-9813376800	0.70	[C@]12(C)CCC(=O)C=C1C[C@H](C[C@@H]2C#N)C(=C)C
MCULE-8869963478	0.70	C1(=O)CCC2(C)C3C(O)CC4(C)C(C(CO)=O)CCC4C3CCC2=C1
MCULE-1010776591	0.70	C1C[C@@]2(C)C(C(C)(C)C1)C(=O)C=C(C)[C@@H]2CO
MCULE-5532688938	0.70	C12(C)CCC3C4(C)CCC(=O)C=C4CCC3C1CC(=C)C2(O)C(=O)C
MCULE-1874567277	0.70	[C@@]12(C)[C@@H](C(CO)=O)CC[C@@]1([H])[C@]1([C@]([H])([C@@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
MCULE-6520929159	0.70	C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@]([H])(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-8193803152	0.70	CC1([C@H](CC[C@@]2(C3CC[C@@]4(C)[C@@](C)(CC[C@@H]4[C@@H](C(C/C=C(\C)/C)O)C)C=3C(=O)C[C@@]12[H])C)O)C
MCULE-8041079323	0.70	C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-].[K+]
MCULE-8499932204	0.70	C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3[C@H](O)C[C@@]2([H])[C@@](CO)(C)C1
MCULE-4050021987	0.70	[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC=C2C(CO)=O
MCULE-1627239407	0.70	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](O)C2=CC1=O
MCULE-2196052177	0.70	[K+].C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
MCULE-6821384626	0.70	O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)(O)[H]
MCULE-2258345539	0.70	O=CC1(C2CC(CC2)C1)CC1CC=CC1
MCULE-9587444246	0.70	C1(=O)CC(C)C(C)=C1
MCULE-2990920571	0.70	CC1(C(CC2CC=CC2)=O)CCCCC1
MCULE-1386072685	0.70	O=CC=CC1CC2C(C2)C1
MCULE-3279653507	0.70	O=CC=CC1CC2C(C2)CC1
MolPort-003-848-083	0.70	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-046-689-150	0.70	[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-046-689-989	0.70	C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-001-739-597	0.70	CC1=CC(=O)C2C(C)(C)CCC[C@]2(C)[C@H]1CO
MolPort-003-892-472	0.70	CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
MolPort-044-723-310	0.70	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-044-723-276	0.70	C[C@@]1(CO)CCC[C@]2(C)[C@H]3CCC(=O)C=C3[C@H](O)C[C@@H]12
MolPort-039-339-172	0.70	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-002-512-114	0.70	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-044-649-596	0.70	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-005-943-420	0.70	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-039-009-099	0.70	CC(=O)C1(O)C(=C)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-046-693-675	0.70	CC(=C)[C@H]1C[C@H](C#N)[C@@]2(C)CCC(=O)C=C2C1
MolPort-002-509-760	0.70	C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC=C2C(=O)CO
MolPort-046-790-504	0.70	CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
MolPort-042-694-235	0.70	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C1C=CCC[C@]31C
MolPort-039-052-422	0.70	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-035-706-191	0.70	CC1(C)CCC[C@]2(C)C=C(C=O)[C@H](O)C[C@@H]12
MolPort-003-983-803	0.70	[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-046-196-836	0.70	C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-761-814	0.70	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-002-506-978	0.70	CC1CCC2C(C)(C)CCCC2(C)C1CC\C(C)=C/CCC(C)=O
MolPort-003-985-986	0.70	CC1CC(=O)C=C1C
MolPort-000-157-846	0.69	O=CC1CC2CC1C=C2
MolPort-005-909-357	0.69	CC(C)=CCCC1=CCC(C)(CC1)C=O
MolPort-000-829-390	0.69	CC1CC(CCC=C(C)C)=CCC1(C)C(C)=O
MolPort-035-775-548	0.69	O=C1C[C@@H]2CC[C@H]1C=C2
MolPort-042-676-343	0.69	O=CC1CC2CC1C=C2
MolPort-002-507-754	0.69	CC(=O)C1CC2CC1C=C2
MolPort-004-288-323	0.69	CC(=O)C=CC1C(C)=CCCC1(C)C
MolPort-035-765-998	0.69	O=CC1C[C@@H]2C[C@H]1C=C2
MolPort-046-682-364	0.69	O=C1CC2CC[C@H]1C=C2
MolPort-000-724-948	0.69	CC1CC(CCC=C(C)C)=CCC1C=O
MolPort-000-719-686	0.69	CC(=O)\C=C\C1C(C)=CCCC1(C)C
MolPort-001-793-711	0.69	CC(=O)C1C[C@@H]2C[C@H]1C=C2
MolPort-046-690-270	0.69	C/C(/C=C/C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C\C=O
MolPort-046-688-079	0.69	CC(C1CC=C(C)C(=O)C1)C(O)=O
MolPort-035-706-109	0.69	CC(C)[C@H]1CCC(C=O)=C[C@@H]1O
MolPort-003-848-321	0.69	C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=O
MolPort-006-111-373	0.69	CC1=C(C(O)=O)C(C)(C)CCC1
MolPort-004-964-306	0.69	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
MolPort-021-804-689	0.69	CC(C)CC(=O)CC(C)C1CCC(=CC1)C(O)=O
MolPort-002-800-680	0.69	CC(C)(C)C1CCC(=CC1)C(O)=O
MolPort-039-052-627	0.69	CC(=O)\C=C\[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@]2(C)C(O)=O
MolPort-023-332-906	0.69	CCCCCC1CC(O)=CC(=O)C1
MolPort-002-515-602	0.69	CCCCCCCCCCCCCC(O)=C1C(=O)CC(C)(C)CC1=O
MCULE-5160344949	0.69	O=C1C2C3C=CC(C3)C2C2C1C1CC2C=C1
MCULE-8275719671	0.69	C1CC(C)(CCC=1CC/C=C(\C)/C)C=O
MCULE-1912400907	0.69	C12C=C(C)C(CC1C2(C)C)C(C)=O
MCULE-3020807810	0.69	C1=CC2CC1C(C2)C=O
MCULE-1919718019	0.69	C1CC2CCC=C2C(C)(C)C1=O
MCULE-9427917092	0.69	C1(CCC=C(C)C)CC(C)C(CC=1)C=O
MCULE-1944708514	0.69	C12CC(C=C1)CC2C(C)=O
MCULE-8411365540	0.69	O=C1[C@@H]2C=C[C@@H](CC2)C1
MCULE-2126006986	0.69	C1(C)(C(C)=O)CC=C(CC1C)CC/C=C(\C)/C
MCULE-9838503328	0.69	OC(C=C1C(=O)CCCCC1)=O
MCULE-4905768266	0.69	OC(C=CC(C1CCCC1)=O)=O
MCULE-1597987834	0.69	CC(C(C1CCCC1)=O)=CC(O)=O
MCULE-6839835548	0.69	C1C(C)(C)C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C)=C(C)C(=O)C1
MCULE-4673155716	0.69	C(/C1=C(C(=O)CCC1(C)C)C)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C(=O)CCC1(C)C)C
MCULE-9857200349	0.69	C1(CCC(CC=1)C(C)(C)C)C(O)=O
MCULE-3750924928	0.69	C1C(C=O)=C[C@H](O)[C@@H](C(C)C)C1
MCULE-2797527002	0.69	C1(C(=O)O)=CCC(CCCCCC)CC1
MCULE-5230788025	0.69	C1(=C(/CCCCCCCCCCCCC)\O)\C(=O)CC(CC\1=O)(C)C
MCULE-5903352413	0.69	CCCCCC1CC(=CC(=O)C1)O
MCULE-7258934827	0.69	C1C[C@@]2(C)[C@]([H])(/C=C/C(=O)C)C(=C)CC[C@]2([H])[C@](C(O)=O)(C)C1
MCULE-9150714373	0.69	C1(C(C)(C)CCCC=1C)C(O)=O
MCULE-3685662720	0.69	O=C(C1C(C)(C)CCCC=1C)Cl
MCULE-5554722605	0.69	C(C)(C1=C(CC1)C(C)=O)=O
MCULE-2270030217	0.69	C1(C=O)CCCC=1
MCULE-2589305143	0.69	CC1C(=O)CCC1CC/C=C(\C)/C
MCULE-1810658219	0.69	C/C(/C)=C/CCC1(CC(=O)CC1)C
MCULE-1529769635	0.69	CC(C(C)=O)CC1CC=CC1
MCULE-1551509118	0.69	O=C1C=CC(C(C)(C)C(C=CC(C(C)(C)C(C=CC(C(C)(C)C(C=CC(C1(C)C)=O)=O)=O)=O)=O)=O)=O
MCULE-3393820020	0.69	C1(C(C)=O)C(=O)C(=CC1=O)C
MCULE-5354591097	0.69	C1=C(C)CC[C@@H](C(C)C)C(=O)CC(=C)CC1
MCULE-6264302119	0.69	C1(=O)C(CC)(CC)C(=O)C=CC(C(C)(C)C(=O)C=CC(=O)C(CC)(CC)C(=O)C=CC(C(C)(C)C(=O)C=C1)=O)=O
MCULE-5288068491	0.69	C1(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)C=C1
MolPort-002-507-367	0.69	CC(=C)CCC\C(C)=C/C=O
MolPort-027-717-889	0.69	CC(=C)CCCC(C)=CC=O
MolPort-008-545-466	0.69	O=CC1=CCCC1
MolPort-035-706-243	0.69	CC(C)[C@@H]1CC\C(C)=C\CCC(=C)CC1=O
MolPort-002-510-763	0.69	CC(=O)C1C(=O)C=C(C)C1=O
MolPort-006-111-428	0.68	CCC=CCC1=C(C)CCC1=O
MolPort-039-338-287	0.68	C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-002-279-706	0.68	O=C1C2C3C=CC(C2C(=O)C2C4C=CC(C12)C41CC1)C31CC1
MolPort-002-514-318	0.68	CC\C=C\CC1=C(C)CCC1=O
MolPort-001-762-154	0.68	CC(=O)CCCCC\C=C\C(O)=O
MolPort-020-005-730	0.68	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]34C)C(C)=C)[C@@H]2[C@H]1C
MolPort-002-549-449	0.68	CC(C)(C)C1=CC2(CCCC2)C=C(C1=O)C(C)(C)C
MolPort-003-929-044	0.68	CC\C=C/CC1=C(C)CCC1=O
MolPort-003-664-396	0.68	CC1=C(O)C(=O)CC(C)(C)C1
MolPort-046-761-519	0.68	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-046-761-514	0.68	[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-039-338-477	0.68	CC1(C)[C@@H](O)C(=O)C=C2[C@H]1CC[C@@H]1C[C@@](C)(CC[C@@]21C)C=C
MolPort-046-693-184	0.68	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-035-706-299	0.68	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-046-690-063	0.68	[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-002-525-628	0.68	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-006-394-318	0.68	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-039-338-393	0.68	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-002-911-143	0.68	C[C@]1(O)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
MolPort-030-084-563	0.68	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CCC2=O
MolPort-046-689-970	0.68	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-023-298-994	0.68	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-044-561-334	0.68	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-046-792-935	0.68	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-023-299-005	0.68	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-002-800-179	0.68	CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(O)C1
MolPort-046-790-392	0.68	C[C@@H]1CC(=O)C=C2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@@]12C
MolPort-027-720-808	0.68	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-021-804-809	0.68	CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
MolPort-046-596-344	0.68	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CCC2O
MolPort-002-510-183	0.68	C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CCC2=O
MolPort-005-936-020	0.68	C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O
MolPort-002-510-704	0.68	C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2O
MolPort-044-649-693	0.68	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-046-683-739	0.68	[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-028-610-172	0.68	CC1(CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O)C=C
MolPort-019-937-543	0.68	CC(CCC1(C)C(C)CCC2(C)C1CC(O)C=C2C(O)=O)CC(O)=O
MolPort-046-765-264	0.68	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@H]1C=CC2=O
MolPort-006-112-202	0.68	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-006-113-734	0.68	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-046-689-959	0.68	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C=CC2=O
MolPort-002-526-056	0.68	CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@]12C
MCULE-1670830332	0.68	C(C(O)=O)C[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@]1(C(C)=C)[H]
MCULE-4778256781	0.68	C(O)(=O)CC[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(C)=C
MCULE-6641232569	0.68	CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
MCULE-6534635803	0.68	C12(CC1)C1C=CC2C2C1C(=O)C1C(C2=O)C2C3(CC3)C1C=C2
MCULE-9038165616	0.68	CC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-2459463798	0.68	C1(C/C=C\CC)C(=O)CCC=1C
MCULE-7642080407	0.68	C12C=CC3C4C1C(=O)C1C(C4=O)C3C21
MCULE-8076747851	0.68	O=C1C(C)(CC=C)C(C)C=C1CC=C
MCULE-6837855043	0.68	C12(C(C)=O)C3C4C5C(C1(C(C)=O)C4C=C3)C=CC25
MCULE-7821346211	0.68	C123C4C5C6C(C1(C(=O)CCC2=O)C5C=C4)C=CC36
MCULE-8490201471	0.68	C1(CC=CCC)C(=O)CCC=1C
MCULE-1952094862	0.68	O=C1CCC(C)=C1C/C=C/CC
MCULE-6987941164	0.68	C1(C(C)(C)C)=CC2(CCCC2)C=C(C(C)(C)C)C1=O
MCULE-5335097568	0.68	C(O)(=O)C=CCCCCCC(C)=O
MCULE-1678342746	0.68	CC([C@@H](C(C1CCCCC=1)=O)N)C
MCULE-9412498437	0.68	CC(C(F)(F)F)(C(C1CCCCC=1)=O)C
MCULE-2977583689	0.68	CC[C@H](C(C1CCCCC=1)=O)N
MCULE-4995882158	0.68	CC([C@H](C(C1CCCCCCC=1)=O)N)C
MCULE-6838469363	0.68	CC([C@@H](C(C1CCCCCCC=1)=O)N)C
MCULE-1997655266	0.68	CC(C(F)(F)C)(C(C1CCCCC=1)=O)C
MCULE-9846709180	0.68	CC(C(C1CCCCC=1)=O)(C(F)F)C
MCULE-4024696034	0.68	CC([C@@H](C(C1CCCCC=1)=O)N)(C)C
MCULE-3848807114	0.68	CC[C@@H](C(C1CCCCC=1)=O)N
MCULE-1556326496	0.68	C[C@@H](C(C1CCCCC=1)=O)N
MCULE-3311655044	0.68	CC[C@@H](C(C1CCCCCCC=1)=O)N
MCULE-7671247991	0.68	C[C@@H](C(C1CCCCCCC=1)=O)N
MCULE-3941444428	0.68	CC[C@H](C(C1CCCCCCC=1)=O)N
MCULE-1835477011	0.68	CC([C@H](C(C1CCCCC=1)=O)N)C
MCULE-9217994518	0.68	C[C@H](C(C1CCCCC=1)=O)N
MCULE-3642294980	0.68	CC([C@H](C(C1CCCCC=1)=O)N)(C)C
MCULE-9476520710	0.68	C[C@H](C(C1CCCCCCC=1)=O)N
MCULE-9381861258	0.68	C1(O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
MCULE-7712069033	0.68	C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O
MCULE-5797410500	0.68	O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CCC2=C1)C(C)=O
MCULE-3559356203	0.68	O=C1CCC2(CO)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)=O
MCULE-4121463357	0.68	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](C)C(C)C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@H]1O
MCULE-8464537126	0.68	CC12C(O)CCCC1=CC(=O)CC2
MCULE-8297407788	0.68	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@H]1O
MCULE-4963816026	0.68	O=C1CCC2(C)C3CCC4(C)CCC(O)C4C3CC(O)C2=C1
MCULE-9301209033	0.68	[C@]12(CO)CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H]
MCULE-5543998347	0.68	O=C1C=C2CCCCC32C1C1C(=O)C3C2CCCCC=21
MCULE-7932579394	0.68	O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2=C1)C(CO)=O
MCULE-4464721001	0.68	C12C(=O)C=CC(=O)C=1C1C3C=CC3C2C=C1
MCULE-4757761406	0.68	C12=CC(=O)C(C(C#N)(C(C#N)C#N)C#N)CC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC2
MCULE-9780635677	0.68	[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CC[C@@H](C(C)C)CC)CC3)C(=O)C=2
MCULE-8008111833	0.68	[C@]12(CO)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
MCULE-9448141357	0.68	C12C(=O)CC(CC=1CC1(CC2(O)CC(C1)(C)C)C)(C)C
MCULE-2832089707	0.68	C1CC2(C)C3=CC(=O)C(C)(C=C)CC3CCC2C(C(=O)O)(C)C1
MCULE-2170216646	0.68	O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(C)=O
MCULE-7177776202	0.68	O=C1CC[C@H]2[C@@H]3CCC4=CC(CCC4=C3CC[C@@]21C)=O
MCULE-2810354958	0.68	C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-9024219601	0.68	C1C2(CO)C(CCC3C2CCC2(C)C3CCC2=O)=CC(=O)C1
MCULE-3632970812	0.68	O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
MCULE-8942278212	0.68	C12CCC3(C(CCC3=O)C1CCC1=CC(=O)CCC=21)C
MCULE-2390783905	0.68	[C@]12(C)[C@H](O)CC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1[C@H](C[C@@H]2C(C)=O)O
MCULE-3516804753	0.68	C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@H](C(C(O)O)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-3353799719	0.68	[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(C)=O
MCULE-3826320975	0.68	[H]C(CCC)=C(CC)C(C)=O
MCULE-5459126693	0.68	O=C(C1C2CC(CC2)C1)CC1CC=CC1
MCULE-7818217503	0.68	C1CCC(=O)CCCC=1
MCULE-7179807320	0.68	O=C1C=CC(C)C1(CC=C)C
MCULE-6547047070	0.68	O=C(C12CCCCC1C2)CC1CCCC=1
MCULE-3440045209	0.68	O=C([C@H]1C[C@@H]2[C@@H](C2)C1)CC1CCCC=1
MCULE-1877898399	0.68	O=C(C1CC2C(C2)CC1)CC1CCCC=1
MCULE-3036443253	0.68	O=C1C(C)=C(C)C(CCC2(C)C(C)=C(C)C(C(C)=C2C)=O)(C)C(C)=C1C
MCULE-5824284147	0.68	O=C(C1C2C(C2)CCC1)CC1CCCC=1
MCULE-7659859570	0.68	[C@]12(C)CC(C)=C(C[C@@]1([H])C(C(C(C)=O)C2=O)=O)C
MCULE-6595352093	0.68	O=C(C12CCCC1C2)CC1CCCC=1
MCULE-9116290084	0.68	OC(C=C1C(=O)C2(CCCC2)CC1)=O
MCULE-9746235107	0.68	NC(C(N)=O)CC1C2C=CC(CC2)C1
MCULE-6354515204	0.68	C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=O)C(=C)CC[C@@]2([H])[C@@](C(O)=O)(C)C1
MolPort-039-239-671	0.68	CC(CCC=C(C)C)C(C)C=O
MolPort-001-792-107	0.68	CCCCC\C=C\C=O
MolPort-001-792-412	0.68	C[C@@H](CCC=C(C)C)CC=O
MolPort-001-793-058	0.68	C[C@H](CCC=C(C)C)CC=O
MolPort-001-787-552	0.68	CC(CCC=C(C)C)CC=O
MolPort-003-960-114	0.68	CCCC\C=C\C(C)=O
MolPort-000-834-214	0.68	CC(=O)CC\C=C(/C)CCC1C(=C)CCC2C(C)(C)CCCC12C
MolPort-029-001-358	0.68	CC(=O)C1CCC=CC1
MolPort-000-738-187	0.68	CC(=O)CC\C=C(/C)CCC1C(=C)CCC2C(C)(C)CCC[C@@]12C
MolPort-022-364-567	0.68	O=CC1CCCC=C1
MolPort-002-558-775	0.68	CC(=O)C1C(=O)[C@@H]2CC(C)=C(C)C[C@]2(C)C1=O
MolPort-039-338-149	0.67	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-046-790-350	0.67	C[C@@H]1CC(=O)C=C2C=C[C@@H]3[C@@H](C3(C)C)[C@@]12C
MolPort-019-937-489	0.67	CC12CCCC(C)(C)C1CC=C2C(O)=O
MolPort-002-137-082	0.67	CCCC(N)=C1C(=O)CC(C)(C)CC1=O
MolPort-046-647-049	0.67	OC(=O)C1=C[C@@H]2CCCC[C@H]12
MolPort-035-705-838	0.67	CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@@](C)(CO)C(=O)CC[C@]23C)C1=O
MCULE-9090579751	0.67	CC(C(CC1C2C=CC(CC2)C1)=O)(N)C
MCULE-1190191150	0.67	OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
MCULE-2546809155	0.67	CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
MCULE-7087851316	0.67	CC(C(C1C(C)(C)C1)=O)=CC(O)=O
MCULE-7299298141	0.67	[C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
MCULE-8646276663	0.67	C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
MCULE-4157028706	0.67	O=C1C(CC2CC=CC2)CCCCC1
MCULE-3392411245	0.67	[C@]12(O)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MCULE-6528363411	0.67	CC/C(/N)=C1\C(=O)CC(C)(C)CC\1=O
MCULE-6201470825	0.67	O=C1C(CC2CC=CC2)CCC1
MCULE-8494008475	0.67	C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-2784098385	0.67	FC1(C(CC(C2CCCCCC=2)=O)C1)F
MCULE-3161766037	0.67	C(O)(C1=CCCCCCCCCC1)=O
MCULE-1752805340	0.67	C1=C2[C@H](Br)C[C@]3([C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CCC1=O)[H]
MCULE-9724944282	0.67	FC1(C(CC(C2CCCC=2)=O)C1)F
MCULE-4277041674	0.67	C1CC23C(=O)C(=O)C(=O)C2(CCCC3)CC=1
MCULE-7561172842	0.67	C1=CC2C3C4C(C(C(=O)C)C13)C=CC4C2C(=O)C
MCULE-5225374056	0.67	CC(C(CC1C2C=CC(CC2)C1)=O)O
MCULE-7154205571	0.67	CC(C(C1CCCCCC=1)=O)(C(F)F)C
MCULE-9993922797	0.67	CC([C@H](C(C1CCCCCC=1)=O)N)(C)C
MCULE-5711787395	0.67	Br[C@H]1C2[C@](C)(CCC(=O)C=2)[C@@H]2[C@H]([C@H]3[C@@](CC2)(C)C(=O)CC3)C1
MCULE-6683714278	0.67	O=CC1(CCCCCC1)CC1CC=CC1
MCULE-3939283530	0.67	CC1C(C=O)(CC2CC=CC2)CCC1
MCULE-1397001651	0.67	CC1CC(C=O)(CC2CC=CC2)CC1
MCULE-6393727075	0.67	C12C[C@@H](CC[C@@]1(C)C=CC(=O)C=2C)C(C)=C
MCULE-9248944569	0.67	C1C[C@]2(C([C@@](C1)(C(O)=O)C)CC(=O)C1=C2CC[C@](C)(C=C)C1)C
MCULE-9921246997	0.67	O[C@H]1C[C@]2(C=O)[C@@H](C(CO)=O)CC[C@H]2[C@@H]2CCC3=CC(CC[C@]3(C)[C@H]21)=O
MCULE-4904757465	0.67	C1(CCC(=O)C)C(C)CC(=O)/C(=C(\C)/C)/CC=1
MCULE-8089081418	0.67	CC1(CC(=O)CC1)CC1CC=CC1
MCULE-8673056647	0.67	CC1C(=O)CCC1CC1CC=CC1
MCULE-1397397840	0.67	O=C1CCC2(O)C3CCC4(C)CC(O)CC4C3CCC2=C1
MCULE-7480366413	0.67	CC([C@@H](C(C1CCCCCC=1)=O)N)(C)C
MCULE-8193597137	0.67	N[C@H]1[C@@H](C(C2CCCCCC=2)=O)CCC1
MCULE-4161890399	0.67	CC[C@@H](C(C1CCCCCC=1)=O)N
MCULE-5078128458	0.67	CC([C@H](C(C1CCCCCC=1)=O)N)C
MCULE-7553754590	0.67	C1(=O)[C@@H](C)CCC=C(C)CC(=O)[C@H](C(C)C)C1
MCULE-8463642691	0.67	C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@](O)(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-3772551936	0.67	C/C(/C)=C/CCC1C(=O)CCC1
MCULE-6797719021	0.67	C1C(=O)CC=C(C(C)C)C1
MCULE-7421072365	0.67	C12C3C4C5C1C(C1C5C5C4C(CC5C1=O)C3=O)C=C2
MCULE-1133620659	0.67	CC(C1(C(C2CCCCC=2)=O)CC1)(F)F
MCULE-9601196069	0.67	C12([H])CC=CC1([H])CC(=O)C2
MCULE-8004127409	0.67	C1(C2C3C4C2C2C5C6C7C(C54)(C3=O)C21C6C=C7)=O
MCULE-2445362476	0.67	C12=CC(CCC1(C)C1C(C3CCC(O)(C(C)=O)C3(CC1)C)CC2=C)=O
MCULE-2648394624	0.67	CCC(C(C1CCCCCCC=1)=O)(F)F
MCULE-2022303549	0.67	C1(=O)CCC2(C)C3C(O)CC4(C=O)C(C(CO)=O)CCC4C3CCC2=C1
MCULE-2791131855	0.67	[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(CO)=O)[H]
MCULE-2036056204	0.67	C1CC2(C)C=C(C(=O)O)C(O)CC2C(C)(C)C1
MCULE-1186740518	0.67	C[C@H](C(C1CCCCCC=1)=O)N
MCULE-5135624279	0.67	CCC(C(C1CCCCC=1)=O)(F)F
MCULE-2423386096	0.67	O=C(C1C2(CC2)C1)CC1CCCC=1
MCULE-7321817046	0.67	CC1([C@@]2(CCC(C(=O)O)=CC2)C(=C)CCC1)C
MCULE-4768757628	0.67	CC1CC2C(=C3C(C4C(=O)C(=O)C=42)CC(C)CC3)CC1
MCULE-1540616337	0.67	O=C1CCC2C1(C)CCC1C2CC=C2C=CCCC21C
MCULE-6392382167	0.67	CC(C(CC1CC=CC1)=O)=C
MCULE-6306556319	0.67	NCC(CC1C2C=CC(CC2)C1)=O
MCULE-1076445196	0.67	C1(/CCCCC/1)=C/CCC(C)=O
MCULE-5186769141	0.67	C12(C)C[C@H](O)C3C(CCC4=CC(=O)CCC34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
MCULE-2548709406	0.67	C1=C(C)CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CC1
MCULE-7280705047	0.67	C(CC)(C=CC1C(C)(C)CCCC=1C)=O
MCULE-2878548382	0.67	CC(C(C1CCC1)=O)=CC(O)=O
MCULE-9493184913	0.67	O=CC1(CC1)CC1CC=CC1
MCULE-3935898183	0.67	C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2
MCULE-2240327687	0.67	CC1C(C(C(C)=CC(O)=O)=O)C1
MCULE-1670316367	0.67	C1(C)(C)C(CC=O)CC=C1C
MCULE-4335831288	0.67	C1(Cl)=C(C=O)CCC(C)(C)C1
MCULE-8241244523	0.67	FC(C1(C(C2CCCCC=2)=O)CC1)F
MCULE-6926890410	0.67	CC([C@@H](C(C1CCCCCC=1)=O)N)C
MCULE-4849477341	0.67	[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CO)=C
MCULE-1000113657	0.67	CC(C1(CC1)CC1CC=CC1)=O
MCULE-5309996615	0.67	CC1(C(F)(F)C1)CC(C1CCCC=1)=O
MCULE-4557432839	0.67	C[C@@H](C(C1CCCCCC=1)=O)N
MCULE-9795786500	0.67	C/C(/C)=C/CCC1C(=O)CCCCC1
MCULE-4398945581	0.67	C12(C)CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
MCULE-7400436566	0.67	CC[C@H](C(C1CCCCCC=1)=O)N
MCULE-3272252898	0.67	O=C1CCC2(CO)C3CCC4(C)C(CCC4(C3CCC2=C1)[H])C(O)=O
MCULE-6501593178	0.67	C1(O)CC2(C(CO)C(C)=CC(=O)C2C(C)(C)C1)C
MCULE-1469704545	0.67	CC1CC(C(C2CC(N)CC=2)=O)CCC1
MCULE-2582951504	0.67	C1CC2(C)C(C(O)=O)=CCC2C(C)(C)C1
MCULE-4406036090	0.67	O=C1CCC2C(=C1)C=CC1(C)C2CC=CC1
MCULE-2950001631	0.67	C1CCCCCCC(C(O)=O)=C(C(O)=O)CC1
MCULE-4148069591	0.67	ClC1CCC(C2CCC2)CC=1C=O
MCULE-8982144798	0.67	C1(=C(/CCC)\N)\C(=O)CC(CC\1=O)(C)C
MCULE-7594935296	0.67	ClC1CCC2(CC2)CC=1C=O
MCULE-3571516627	0.67	NC1CC(C(C2CCCCC2)=O)=CC1
MCULE-3773650223	0.67	C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
MCULE-2366326470	0.67	C12C3C4C(C5C1C(C(O)=O)=C(C(O)=O)C35)C2C=C4
MCULE-7899567818	0.67	C12C(=O)CC(CC=1CC1(CC2(Cl)CC(C1)(C)C)C)(C)C
MCULE-5480996294	0.67	O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(CO)=O
MCULE-4822409054	0.67	C12(C)C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
MCULE-3860629045	0.67	C12=CC(O)(C(C)C)CCC1C1(C(C(C(O)=O)(C)CCC1)CC2=O)C
MCULE-8346653877	0.67	CC1CC(C)(C)CCC=1C(=O)O
MCULE-8739489327	0.67	C12C(C(=O)C1)CC=C2
MCULE-6325385060	0.67	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CCC43)[C@]1([H])CC[C@]12CO1)[H]
MCULE-6510021618	0.67	CC(C(CC1C2C=CC(CC2)C1)=O)N
MCULE-8953627920	0.67	[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
MolPort-027-948-631	0.67	C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-003-938-611	0.67	O=C1C[C@H]2C=CC[C@@H]12
MolPort-003-938-563	0.67	O=C1C[C@@H]2C=CC[C@H]12
MolPort-046-765-476	0.67	[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-005-944-289	0.67	CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1CO
MolPort-006-069-316	0.67	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
MolPort-020-006-015	0.67	CC(C)[C@@H]1CC(=O)[C@@H](C)CC\C=C(C)\CC1=O
MolPort-035-924-387	0.67	CC12CCC(=O)C=C1CCC1C3CCC(C(=O)CO)C3(CC(O)C21)C=O
MolPort-002-512-788	0.67	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@@H]1CCC2=O
MolPort-042-680-921	0.67	Cl\C1=C(\CCCCCC1)C=O
MolPort-039-323-730	0.67	CC1(C)CCC(C=O)=C(Cl)C1
MolPort-002-511-069	0.67	C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=C)CO
MolPort-046-765-410	0.67	C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@H]1CCC2=O
MolPort-044-754-197	0.67	C[C@H](CC(=O)\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
MolPort-039-338-120	0.67	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-002-157-619	0.67	CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
MolPort-007-980-854	0.67	CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
MolPort-002-176-715	0.67	CC(=O)C1(O)CCC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC12C
MolPort-004-801-991	0.67	CC1(C)CCC=C(C1)C(O)=O
MolPort-046-511-053	0.67	C[C@@H]1[C@@H]2C=CC[C@@H]2C1=O
MolPort-046-793-262	0.67	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-046-793-261	0.67	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-023-274-284	0.67	CC\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)C=CC1=O
MolPort-023-220-735	0.67	CC(C)[C@H]1CC(=O)[C@@H](C)CC\C=C(C)\CC1=O
MolPort-002-800-180	0.67	CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(Cl)C1
MolPort-004-414-458	0.67	CCC(N)=C1C(=O)CC(C)(C)CC1=O
MolPort-046-196-704	0.67	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-046-196-703	0.67	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-039-239-507	0.67	CC1(C)CCC(=CC1)C(O)=O
MolPort-027-641-344	0.67	CC\C=C/C[C@H]1[C@@H](CCCCCC(O)=O)C=CC1=O
MolPort-000-713-768	0.67	CC12C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
MolPort-046-766-234	0.67	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-002-510-100	0.67	CC(=O)[C@@]1(O)CCC2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-596-366	0.67	CC(=O)[C@@]1(O)CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-766-226	0.67	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C3C[C@@H](O)C21)C(=O)CO
MolPort-044-559-994	0.67	C[C@]12CCC3(O)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-039-060-935	0.67	CC1=C(CCC(C)(C)C1)C(O)=O
MolPort-005-934-304	0.67	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
MolPort-023-279-448	0.67	C[C@@H]1CC2C3CCC4=CC(=O)CCC4(C)C3[C@@H](O)CC2(C)[C@@]1(O)C(=O)CO
MolPort-046-764-570	0.67	C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
MolPort-046-683-789	0.67	[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-019-904-832	0.67	CC1CCC(=CC1)C(O)=O
MolPort-002-529-268	0.67	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]21CO1
MolPort-039-338-609	0.67	CC1CC(=O)C(CC=C1CCC(C)=O)=C(C)C
MolPort-035-706-317	0.67	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
MolPort-003-657-348	0.67	CC12CCC3C(C1CCC2=O)C(=O)C=C1CC(O)CCC31C
MolPort-006-668-441	0.67	CC1(C)CCCC(=C)C11CCC(=CC1)C(O)=O
MolPort-001-790-441	0.67	O=C1CC2C=CCC12
MolPort-046-701-995	0.67	CC(C)[C@@H]1CC(=O)[C@@H](C)CC\C=C(C)/CC1=O
MolPort-039-338-445	0.67	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1
MolPort-006-131-902	0.67	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-002-529-087	0.67	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-001-757-789	0.67	CC1=CCC(CC=O)C1(C)C
MolPort-006-391-847	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[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O)C=O
MolPort-006-393-332	0.67	[2H]C1([2H])[C@]([2H])(O)C2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)C2CCC(O)(C(=O)CO)[C@@]12C
MolPort-002-932-776	0.67	CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
MolPort-044-755-253	0.67	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-001-740-910	0.67	CC(C)C1(O)CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O
MolPort-019-936-771	0.67	C\C(=C/CCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O)C(O)=O
MolPort-046-069-932	0.67	CC(C)=C1CCC(=O)CC1
MolPort-001-740-973	0.67	C[C@@]1(CCC2=C(C1)C(=O)CC1[C@@](C)(CCC[C@]21C)C(O)=O)C=C
MolPort-006-113-487	0.67	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
MolPort-001-794-637	0.67	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-019-936-866	0.67	C\C(=C/CCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
MolPort-008-155-609	0.67	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34O)C1CCC2=O
MolPort-046-688-925	0.67	C[C@]12CC[C@H]3[C@@H](C[C@H](Br)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-006-668-579	0.67	CC1(C)CCCC2(C)C=C(C(O)CC12)C(O)=O
MolPort-003-801-744	0.67	CC(=O)CCC=C1CCCCC1
MolPort-019-949-553	0.67	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
MolPort-046-684-157	0.67	CC(C)[C@@H]1CC(=O)[C@@H](C)CCC=C(C)CC1=O
MCULE-2271099763	0.66	C12CC3C4C(C(O)=O)=C(C(=O)O)C3C1C24
MCULE-8394821836	0.66	C12(C)C(=O)C=C(O)C(CC1)C2(C)C
MCULE-3279629236	0.66	NC1CC(C(C2C3CC(CC3)C2)=O)=CC1
MCULE-3560182453	0.66	C1C[C@]2([C@]3([H])CC[C@H]4C(C(=O)O)=C[C@@]3(C4)CC[C@]2([H])[C@@](C)(CO)C1)C
MCULE-3056545668	0.66	NC1CC(C(CC2CC=CCC2)=O)=CC1
MCULE-1479199763	0.66	C1(=O)C(C)=CCC(C(C)CC(=O)O)(C(C(C)C)=O)C1
MCULE-9809355766	0.66	C1(=C(/CCCC)\N)\C(=O)CC(CC\1=O)(C)C
MCULE-1623468852	0.66	ClC1CC2CC(CC2)C=1C=O
MCULE-7672510075	0.66	C12C(=O)C(C3([H])C(=O)C=CC13[H])C=C2
MCULE-4929710192	0.66	C[C@@]1(CCC[C@@]2(C)[C@@]3([H])[C@]4(C[C@](CC3)([H])C(C(=O)O)=C4)CC[C@]12[H])CO
MCULE-9020430148	0.66	FC1(C(CC(/C=C2\CCCCC\2)=O)C1)F
MCULE-7916341231	0.66	[C@]12(C)CCCC(=O)[C@]1([H])CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O
MCULE-8543584572	0.66	C1(=O)C2CC=CC1CC2
MCULE-1852323478	0.66	CC(C(C#N)(CC1CC=CCC1)C)=O
MCULE-2575543658	0.66	C1(C2C(C3CC2C=C3)C2C(C3C(C4CC3C=C4)C12)=O)=O
MCULE-6555171777	0.66	C12CC(C3C(=O)CC(=O)C13)C1=C2C2CC1CC2
MCULE-2259130970	0.66	C1(C(C)(C)C)=CC2(CC2)C=C(C(C)(C)C)C1=O
MCULE-4159649248	0.66	C(C1CC=C(CC=CC(C)C)CC1)=O
MCULE-8357419701	0.66	O=C(C1C2C1CCC2)CC1CC=CC1
MCULE-6026959980	0.66	C12CC1C(=O)C(/C=C(\C)/C)C2
MCULE-3657021044	0.66	O=C(C1C2C1CCCC2)CC1CC=CC1
MCULE-8536214911	0.66	C1C(=O)C2([H])CC2([H])C=CCC1
MCULE-1647139252	0.66	C1/C(=C/C(=O)C)/CCC1
MCULE-3963470755	0.66	C(/C=O)=C\C1CCCC1
MolPort-003-800-478	0.66	OC(=O)C1=C(C2C3C4CC2C1C34)C(O)=O
MolPort-039-338-695	0.66	CC(O)\C=C\C1C(C)=CC(=O)CC1(C)C
MolPort-035-705-871	0.66	C[C@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)C=C4C(O)=O
MolPort-001-900-947	0.66	CCCCC(N)=C1C(=O)CC(C)(C)CC1=O
MolPort-002-511-673	0.66	C\C(Cl)=C1/[C@H]2[C@@H](CC1=O)C2(C)C
MolPort-000-205-540	0.66	CC(O)=C1C(=O)CC(C)(C)CC1=O
MolPort-038-948-537	0.66	CCCCC=C1CCC(CC(O)=O)CC1
MolPort-002-549-671	0.66	CC(C)(C)C1=CC2(CC2)C=C(C1=O)C(C)(C)C
MolPort-044-183-358	0.66	O=C\C=C\C(=O)CCCC#C
MolPort-038-434-376	0.66	O=C1C2CCC1C=CC2
MolPort-038-948-469	0.66	CCC=CC1CCC(CC1)C(O)=O
MolPort-001-960-400	0.65	COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1
MolPort-035-668-919	0.65	CC1=C2CCC3C4C[C@@H](C#C)C(O)C4(C)CCC3C2CCC1=O
MolPort-046-682-009	0.65	CC1=CCC2(CC1=O)C(=C)CCC(Br)C2(C)C
MolPort-001-512-549	0.65	CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C#N
MolPort-046-697-152	0.65	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-046-765-464	0.65	C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)C#C)C12
MolPort-002-507-131	0.65	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-046-596-331	0.65	COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C2C1
MolPort-023-221-722	0.65	COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-000-207-693	0.65	COC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-046-765-484	0.65	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)[13C]#[13CH]
MolPort-007-980-824	0.65	CCC12CCC3C(CCC4=CC(=O)CCC34)C1C[C@@H](C#C)C2O
MolPort-002-507-150	0.65	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C
MolPort-000-700-357	0.65	CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@]2(O)C#C
MolPort-027-641-194	0.65	CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]2(O)C#C
MolPort-046-426-723	0.65	[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@@]4(CC)CC[C@@H]3[C@@]2([2H])CC([2H])([2H])C1=O
MolPort-002-354-182	0.65	CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)CC#N
MolPort-046-690-660	0.65	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]2(O)C#C
MolPort-046-589-843	0.65	COCC(=O)[C]1CC[C@@H]2[C]1C[CH][C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
MolPort-002-521-717	0.65	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C#N
MolPort-002-525-704	0.65	COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
MolPort-003-808-500	0.65	CC(=C)[C@@H]1CCC(C)(C)C2=CC(=O)CC[C@@]12C#N
MolPort-002-911-093	0.65	CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]2(O)C#C
MolPort-046-153-150	0.65	CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
MolPort-046-153-168	0.65	CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O
MolPort-002-510-453	0.65	CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-002-509-542	0.65	C[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
MolPort-002-514-753	0.65	COC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-696-708	0.65	CC1(C)CCC[C@@]2(C)C1CC(=O)C(CBr)=C2CBr
MolPort-002-510-442	0.65	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]21CS1
MolPort-002-527-360	0.65	COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
MolPort-003-849-619	0.65	[2H]C1=C2C([2H])([2H])CC3C4CC[C@@](O)(C#C)C4(C)CCC3C2([2H])CC([2H])([2H])C1=O
MolPort-003-666-244	0.65	CC[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
MolPort-046-158-400	0.65	CC(=C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@]2(O)C1
MolPort-003-861-444	0.65	CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
MolPort-002-512-104	0.65	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C#N
MolPort-002-728-977	0.65	CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
MolPort-001-785-935	0.65	CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C#C
MolPort-046-765-288	0.65	[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@]4(CC)CC[C@@H]3[C@@]2([2H])CC([2H])([2H])C1=O
MolPort-006-111-863	0.65	C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(CO)C[C@H](O)[C@H]21
MolPort-000-745-547	0.65	CC12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
MolPort-046-765-414	0.65	CC[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@H]1CC[C@]2(O)C#C
MolPort-000-829-116	0.65	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C#C
MolPort-000-832-099	0.65	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
MolPort-046-765-289	0.65	[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]3CC[C@]12CC
MolPort-007-980-886	0.65	COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
MolPort-005-933-833	0.65	CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
MolPort-001-960-404	0.65	COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1
MolPort-035-706-434	0.65	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-004-964-914	0.65	CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-004-771-051	0.65	CC(=O)C1=C(N)CCCC1
MolPort-028-952-171	0.65	OC(=O)C1=CCCCCC1
MolPort-046-677-790	0.65	OC(=O)C1=CC2CCCCCCC12
MCULE-7552770733	0.65	C1CC2(C)C3C(=O)CC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3C(O)CC2C(C)(C)C1=O
MCULE-2444850987	0.65	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(O)C#N)C)=O
MCULE-4509039878	0.65	CC12C(CC#N)(O)CCC1C1CCC3C(C)(C1CC2)CCC(=O)C=3
MCULE-2776644728	0.65	C12(CC)CCC3C(CCC4=CC(=O)CCC43)C1C[C@@H](C#C)C2O
MCULE-1847616833	0.65	C1(CBr)=C(CBr)C(=O)CC2C(CCC[C@]12C)(C)C
MCULE-9075563464	0.65	O=C1C2C(CC(O)=O)CC(C=2C(C)(C)CC1)=O
MCULE-5587193921	0.65	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCC(OC)=O
MCULE-2846082692	0.65	C(C(C1(C)C2C(C2C(=O)C=C1C(O)=O)(C)C)C)C(O)=O
MCULE-5828095144	0.65	[C@@]12([H])CC[C@H](C(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
MCULE-9685581403	0.65	C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@]2(O)C#N)=CC(=O)C1
MCULE-9892383905	0.65	[C@]12(CC)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@]2(O)C#C)[H]
MCULE-2278067941	0.65	C12C3C(C)(CCC(C)(C(OC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)=O)C
MCULE-2255462467	0.65	C1C[C@]([C@@]2([C@](C1)(C)C1[C@]3(CC2)CC(=C)[C@@]([H])(C(=O)C=1)C3)[H])(C(O)=O)C
MCULE-8236621147	0.65	C12C3C(C)(CCC(C)(C(OC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
MCULE-6301437684	0.65	O=C1CCC2(C3CCC4(CC)C(O)(CCC4C3CCC2=C1)C#C)[H]
MCULE-7140541559	0.65	C1(CBr)=C(CBr)C(=O)CC2C(CCCC12C)(C)C
MCULE-1779059042	0.65	[C@]12(CCC3C4C(CC[C@]13C)[C@@]1(C)CCC(C=C1CC4)=O)CS2
MCULE-2690578106	0.65	[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@]2(O)C#C)C)=O
MCULE-9156628994	0.65	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@@]2(O)C#C)[H]
MCULE-6242790082	0.65	C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1O
MCULE-3023805815	0.65	C12(CC=C(C(=O)C1)C)C(=C)CCC(Br)C2(C)C
MCULE-1067345384	0.65	[C@]12(CO)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CO)O
MCULE-3410664208	0.65	[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@@]2(O)C#C)[H]
MCULE-5475119384	0.65	O=C1C=C2[C@]([C@@]3([C@](CC2)([H])[C@@]2([H])[C@]([C@](CC2)(O)C#C)(C)CC3)[H])(C)CC1
MCULE-4216254522	0.65	C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(O)C#C)C)=O
MCULE-6473008384	0.65	[C@@]12(C#N)CCC(=O)C=C1C(C)(C)CC[C@H]2C(=C)C
MCULE-9068467553	0.65	[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CC[C@]2(O)C#N)C)=O
MCULE-6711156232	0.65	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
MCULE-6251052191	0.65	C12(C)CCC3C(CCC4=C(C(=O)CCC43)C)C1CC(C#C)C2O
MCULE-1505073195	0.65	C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([C@]([H])([C@H](CC/C=C(\C(O)=O)/C)C)CC[C@]3(C)C2=CC[C@@]1([H])C(C)=C)C
MCULE-9405848361	0.65	C12(C)CCC3C(CCC4=CC(=O)CCC43)C1CCC2(O)C#C
MCULE-5532388657	0.65	CC[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1CC2)CCC(=O)C=3
MCULE-2208148247	0.65	[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(O)C#N)C)=O
MCULE-1283162506	0.65	CC[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1CC2)CCC(=O)C=3
MCULE-5380264709	0.65	C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(OC)=O
MCULE-6477437107	0.65	C1(CCCC(=O)C=1)C(O)=O
MCULE-1732045588	0.65	FC(C1(C(C2CCCCCC=2)=O)CC1)F
MCULE-3769993317	0.65	CCC(C(C1CCCCCC=1)=O)(F)F
MCULE-6911820459	0.65	C1(CCCCC=1N)C(C)=O
MCULE-8116500557	0.65	C1(C=O)C(=O)CC(CC=1O)(C)C
MCULE-7478589994	0.65	O=C1C2(C)C(C3C(CC2)C2(C)C(CCCC2)=CC3)CC1F
MCULE-4656356934	0.65	FC(C(CC1C2C=CC(CC2)C1)=O)F
MCULE-2554095482	0.65	FC(C(CC1C2C=CC(CC2)C1)=O)(F)F
MCULE-5113003290	0.65	OC(C1CC2CC(CC=C2)C1)=O
MCULE-4504483614	0.65	C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
MCULE-7315284280	0.65	CC(C(CC1C2C=CC(CC2)C1)=O)(F)F
MCULE-2345630920	0.65	CC(C(CC1C2C=CC(CC2)C1)=O)(F)C
MCULE-7147126046	0.65	C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
MCULE-1283574747	0.65	C[C@@]12CC[C@@]3([H])[C@@]([C@H](O)CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@@]21C)(C)C(=O)O
MCULE-8056155072	0.65	C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O
MCULE-5384515579	0.65	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O
MCULE-3664047551	0.65	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-9341616847	0.65	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-5327458615	0.65	CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
MCULE-1042513157	0.65	NC1(C(CC2C3C=CC(CC3)C2)=O)CC1
MCULE-5025931577	0.65	C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
MCULE-8629297693	0.65	C1C[C@@]2(C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@](C)([C@@H]1O)C(O)=O)C)C
MCULE-3422795055	0.65	C1C2CCC(=O)CC=C2C1
MCULE-9899033250	0.65	C1(=O)C(C)=CC(=O)C(C(C)C)=C1
MCULE-5658801482	0.65	C1=CC2CC(=O)C3C(=O)CC1C23
MCULE-5433016497	0.65	C1(C(C)(C)C)C(=O)C=C(C(=O)C=1)C(C)(C)C
MCULE-8993173727	0.65	C1(C)(C)C(=O)C2([H])CC2([H])CC=C1
MCULE-5207883585	0.65	C1(C(C)(C)C)C(=O)C=C(C(=O)C=1)C
MCULE-8682863565	0.65	C1(C(C)(C)C)C(=O)C=CC(=O)C=1
MCULE-7543573924	0.65	C(C1CC=CCC1C)=O
MCULE-1433114220	0.65	O=C(C1CC2(CCC2)C1)CC1CC=CC1
MCULE-7703110506	0.65	CC1CC(C(CC2CC=CC2)=O)CC1
MCULE-8303528132	0.65	CC1(C(CC2CC=CC2)=O)CCCC1
MCULE-8388310463	0.65	CC1C(C(CC2CC=CC2)=O)CCC1
MCULE-2361055754	0.65	O=C(C1CCCCCC1)CC1CC=CC1
MCULE-4752119585	0.65	C1C(CC=CC1)C=O
MCULE-2417213379	0.65	CC1(C(C(CC2CC=CC2)=O)CCC1)C
MCULE-2562452387	0.65	[H]C12C(C)(C)C=CCC1(C)C1CC=C3C4(CC(C)(C)CCC4(C)CCC3(C)C1(C)CC2)[H]
MCULE-6758324482	0.65	C(C)(C(CC)=O)=CCC(C)C
MCULE-9857037801	0.65	C1(=O)C(C(C)C)CCC(C)C1=C
MCULE-5296033788	0.65	C=CC(CC1C2CCC(CC2)C1)=O
MCULE-9099763598	0.65	C(C=O)(=CCCC)CC
MCULE-7493190737	0.65	C1CCC2CCC3CCCC4C3=C2C1CC4
MCULE-1271946970	0.65	CC(C(C1CC(C)(C)CC(C)(C)C1)=O)=C
MCULE-3196927861	0.65	CC(C(CC1C2CCC(CC2)C1)=O)=C
MolPort-035-706-537	0.65	CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C(=O)C1
MolPort-039-338-325	0.65	C[C@H]1[C@@H](CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
MolPort-016-633-342	0.65	C[C@@H]1C[C@H](C2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-016-633-333	0.65	CC1(C)C[C@H](C2CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-035-706-538	0.65	CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-006-069-138	0.65	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
MolPort-046-141-505	0.65	OC(=O)C1CC2CC=CC(C2)C1
MolPort-039-338-737	0.65	CC(C)=CCC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
MolPort-006-069-379	0.65	C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
MolPort-028-754-126	0.65	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-038-386-024	0.65	CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
MolPort-038-386-525	0.65	CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
MolPort-038-941-702	0.65	C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
MolPort-046-792-898	0.65	C[C@]12CC[C@@H]3[C@@H](CC=C4CCCC[C@]34C)[C@H]1C[C@H](F)C2=O
MolPort-046-594-431	0.65	CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
MolPort-001-817-082	0.65	CC1=CC(=O)C(=CC1=O)C(C)(C)C
MolPort-003-932-638	0.65	CC(C)(C)C1=CC(=O)C=CC1=O
MolPort-001-779-768	0.65	CC(C)C1=CC(=O)C(C)=CC1=O
MolPort-000-861-080	0.65	CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C
MolPort-001-792-446	0.65	CC1CC=CCC1C=O
MolPort-001-791-806	0.65	O=CC1CCC=CC1
MolPort-001-787-569	0.65	CCC\C=C(/CC)C=O
MolPort-001-793-753	0.65	CC(C)C\C=C(\C=O)C(C)C
MolPort-035-706-266	0.64	C[C@@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
MolPort-002-510-136	0.64	CC(=O)C1=C(N)C[C@@H]2[C@H]1C2(C)C
MolPort-046-765-581	0.64	C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC=C2C(=O)C=O
MolPort-035-706-169	0.64	CC(C)CC(=O)\C=C(/C)[C@@H]1CCC(=CC1)C(O)=O
MolPort-006-118-969	0.64	CC(=C)C1CCC(=CC1)C(O)=O
MolPort-035-706-111	0.64	CC(C)(O)[C@H]1CCC(=CC1)C(O)=O
MolPort-035-706-267	0.64	C[C@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
MolPort-035-706-339	0.64	C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(=C)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
MolPort-001-791-998	0.64	OC(=O)C1=CCCCC1
MolPort-000-876-454	0.64	ClC1=C(CCCC1)C=O
MolPort-035-865-493	0.64	CC1(C)CC(=O)C(=CCO)C(=O)C1
MolPort-044-754-112	0.64	C[C@@H](O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C
MolPort-004-288-372	0.64	CC(=O)C=CC1=C(C)CCCC1(C)C
MolPort-001-783-113	0.64	CC(=O)\C=C\C1=C(C)CCCC1(C)C
MCULE-3317486696	0.64	CNC1CC(C(C2CCCCC=2)=O)C1
MCULE-1585586063	0.64	C12C(CCC(=O)C=1)CC(C(O)=O)C2
MCULE-9742304708	0.64	C1C(C(O)=O)=CC[C@@H](C(O)(C)C)C1
MCULE-5049403375	0.64	C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2=C
MCULE-2236994087	0.64	C1(CCC(CC=1)C(C)=C)C(O)=O
MCULE-7518217448	0.64	[C@]12(C)C=CC(C=C1C(C[C@@]1([H])[C@]3([C@@](C)(C(CC3)=O)CC[C@@]12[H])[H])=C)=O
MCULE-2460476091	0.64	C1C[C@@]([H])(/C(/C)=C/C(=O)CC(C)C)CC=C1C(=O)O
MCULE-7899364914	0.64	[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
MCULE-7995365701	0.64	C1(C=O)CCCCC=1Cl
MCULE-5250500079	0.64	CC(C(F)(F)C)(C(C1CCCC=1)=O)C
MCULE-8431742814	0.64	O=C1C(C)CC(C)C(O)=C1
MCULE-1320768870	0.64	CC1(C(C(C=CC(O)=O)=O)C1)C
MCULE-7417377682	0.64	OC(C1(CC1)CC1CC=CCC1)=O
MCULE-1183560917	0.64	C1(=O)C[C@@]2([C@]([H])(C/C/1=C(\C)/C)[C@@]2([H])CC[C@H](O)C)C
MCULE-7270634760	0.64	OC(C1C(CC2CC=CCC2)CC1)=O
MCULE-3768279019	0.64	CC1C(C(C=CC(O)=O)=O)C1
MCULE-6935719222	0.64	OC(C1C(CC2CC=CCC2)CCC1)=O
MCULE-5135553681	0.64	C1(C(C)(C)CCCC=1C)/C=C/C(C)=O
MCULE-7550164871	0.64	OC(C=CC(C1CCC1)=O)=O
MCULE-3640052920	0.64	C1(C(C)(C)CCCC=1C)C=CC(C)=O
MCULE-3257672801	0.64	CC(C(CC1CC=CCC1)=O)N
MCULE-5859140606	0.64	CC1CC(C(O)=O)(CC2CC=CCC2)C1
MCULE-8907556285	0.64	CC(C(CC1CC=CCC1)=O)(N)C
MCULE-6438933973	0.64	CC(C(CC1CC=CCC1)=O)(O)C
MCULE-1528374574	0.64	OC(C1(CCC1)CC1CC=CCC1)=O
MCULE-8489443115	0.64	C12CC1(C)C(=O)CC(C)(C)C=C2
MCULE-8322667113	0.64	C1(C(CC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-6934036262	0.64	C1(C(CCCC(C2C(=O)CC(CC2=O)(C)C)C2C(=O)CC(CC=2O)(C)C)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-6355846723	0.64	C1CC2=CC(=O)/C(/C[C@]2(C)[C@H]([C@@H]1O)C)=C(\C)/C
MCULE-1643283288	0.64	C1(C(=O)CC(CC=1O)(C)C)C(C(C)C)C1C(=O)CC(CC1=O)(C)C
MCULE-3727435032	0.64	C(O)(C1=CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-7420090326	0.64	C1(C(C)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-4351701102	0.64	C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CC[C@@]21O)C(C)=O
MCULE-3077397941	0.64	C1(C(CCCC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-7903507006	0.64	C1(C(CCC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
MCULE-3937221313	0.64	C(C=O)=C(CCC=C(C)CC/C=C(\C)/C)C
MCULE-1934054790	0.64	C(C(C)(C)CC=C(C)CC/C=C(/C)\C)=CC(C)=O
MCULE-2806895467	0.64	NC1CC(C(C2CCC2)=O)=CC1
MCULE-2166503042	0.64	CC1(CCC1)CC(C1CC(N)CC=1)=O
MCULE-4499774526	0.64	NC1CC(C(CC2CCC2)=O)=CC1
MCULE-2082866202	0.64	NC1CC(C(CC2CC2)=O)=CC1
MCULE-4264236437	0.64	NC1CC(C(CC2CCCC2)=O)=CC1
MCULE-8631883359	0.64	CC(C(CC1CC=CC1)=O)(C)C
MCULE-9549317752	0.64	C12CC(C)(C)CC31C(C)CCC3C(C(O)=O)=C2
MCULE-4279655767	0.64	NC1CC(C(C2CCCC2)=O)=CC1
MCULE-2525498529	0.64	C=CC(CC1CC=CC1)=O
MolPort-039-052-452	0.64	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-002-130-411	0.64	CC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
MolPort-035-705-880	0.64	CC1(C)[C@H]2C[C@@H](O)[C@@]34[C@H](O)[C@@H](CC[C@H]3[C@]2(C)C=CC1=O)C(=C)C4=O
MolPort-023-279-066	0.64	COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
MolPort-000-733-209	0.64	CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
MolPort-001-995-568	0.64	CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1
MolPort-002-525-832	0.64	CC(=O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-044-649-708	0.64	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-005-943-996	0.64	C[C@H]1[C@H](O)CCC2=CC(=O)C(C[C@]12C)=C(C)C
MolPort-001-011-949	0.64	CCC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
MolPort-039-338-124	0.64	C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3
MolPort-046-158-402	0.64	CC(=C)[C@@H]1CC[C@@]2(C)[C@H](O)CC(=O)C(C)=C2C1
MolPort-046-693-183	0.64	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)=O
MolPort-009-015-247	0.64	CCCCC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
MolPort-002-501-613	0.64	CC(C)=CCC\C(C)=C\CC\C(C)=C\C=O
MolPort-046-419-560	0.64	F\C1=C\CCCCCC1=O
MolPort-002-564-238	0.64	CC(C)=CCC\C(C)=C\CC(C)(C)\C=C\C(C)=O
MolPort-044-183-126	0.64	CCCCCC(=O)CC[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
MolPort-001-769-700	0.64	CCCCC\C=C\CCC=O
MolPort-005-944-580	0.64	CC1CCC2C(=CC3CC(C)(C)CC123)C(O)=O
MolPort-046-677-777	0.64	OC(=O)C1=CC2CC\C=C/CCC12
MolPort-002-549-690	0.64	[Cu++].CCC(=O)C1=C([O-])CCCC1=O.CCC(=O)C1=C([O-])CCCC1=O
MolPort-046-677-788	0.64	OC(=O)C1=CC2CCCCCC12
MolPort-046-153-129	0.64	CC1CCC2(C)C(CCC=C2C)C1(C)C\C=C(\CC(O)=O)C=O
MolPort-046-672-833	0.64	CCC(=O)C(C)C\C(C)=C\C
MolPort-046-153-807	0.63	C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
MolPort-046-153-799	0.63	CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-044-637-461	0.63	CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
MolPort-044-723-335	0.63	CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(O)=O
MolPort-044-637-537	0.63	CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O
MolPort-044-637-536	0.63	CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O
MolPort-001-742-404	0.63	C[C@@]1(CCC2C(CCC3C2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
MolPort-044-727-594	0.63	CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-006-668-475	0.63	CC1(CCC2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
MolPort-003-873-328	0.63	C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
MolPort-039-339-207	0.63	CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(O)=O
MolPort-035-706-428	0.63	C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-008-427-020	0.63	CC1(CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1)C=C
MolPort-039-338-736	0.63	CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
MolPort-039-338-127	0.63	C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
MolPort-002-513-811	0.63	COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC[C@]13C=C(C(C)C)C(CC21)C1C3C(=O)C=CC1=O
MolPort-028-610-018	0.63	CC1C=CC2CCC(=O)CC22C1C(=O)C(C)=C(O)C2=O
MolPort-011-252-644	0.63	CCCCCCCCC=CCCCCCCCC(Cl)=O
MolPort-001-780-043	0.63	CCCCCCCC\C=C\CCCCCCCCCCCC(O)=O
MolPort-046-426-229	0.63	CCCCCCCCCCC\C=C/CCCCCCC(O)=O
MolPort-046-426-181	0.63	CCCCCCCCCCC\C=C\CCCCC(O)=O
MolPort-006-169-615	0.63	CCCCCC\C=C\CCCCCCCC(O)=O
MolPort-009-019-050	0.63	CCCCCCCC\C=C/CCCCCC(O)=O
MolPort-002-508-961	0.63	CC(=O)CCC1=C(C)CCC1C(C)=C
MolPort-003-983-653	0.63	CCCCCCCC\C=C/CCCCCCCC(N)=O
MolPort-003-959-881	0.63	CCCCCC\C=C/CCCCCCCCCC(O)=O
MolPort-046-588-205	0.63	CCCCCC\C=C/CCCCCCCC(N)=O
MolPort-003-959-363	0.63	CCCCCCCCCCC\C=C/CCCCC(O)=O
MolPort-000-882-023	0.63	CCCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-003-849-687	0.63	CCCCCCCCC=CCCCCCCCC(O)=O
MolPort-006-112-294	0.63	CCCCCC\C=C\CCCCCCCCCC(O)=O
MolPort-003-959-025	0.63	CCCCCCCC\C=C/CCCCCCCCC(O)=O
MolPort-046-588-213	0.63	CCCCCCCC\C=C/CCCCCCCCCC(N)=O
MolPort-003-958-761	0.63	CCCC\C=C\CCCCCCCC(O)=O
MolPort-003-958-711	0.63	CCCC\C=C/CCCCCCCC(O)=O
MolPort-003-941-733	0.63	CCCCCC\C=C/CCCCCCCCC(O)=O
MolPort-009-019-234	0.63	CCCCC\C=C/CCCCCCCCCCCCC(O)=O
MolPort-009-019-440	0.63	CCCCC\C=C/CCCC\C=C/CCCCCCC(O)=O
MolPort-000-881-892	0.63	CCCCCCCC\C=C\CCCCCCCC(N)=O
MolPort-003-925-831	0.63	CCCCCCCC\C=C\CCCCCCCCCC(O)=O
MolPort-003-941-268	0.63	CCCCCC\C=C/CCCCCCCCCCCC(O)=O
MolPort-028-747-855	0.63	CCCCCCCCC=CCCCCCCCCCCCC(O)=O
MolPort-028-747-803	0.63	CCCCCCC=CCCCCCCCC(O)=O
MolPort-003-939-503	0.63	CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O
MolPort-003-929-108	0.63	CCCCCCCC\C=C/CCCCCCCCCCCC(N)=O
MolPort-003-933-468	0.63	CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O
MolPort-021-804-454	0.63	CCC(C)CCCCC\C=C/CCCCC(O)=O
MolPort-003-933-186	0.63	CCCCCCCC\C=C/CCCCCCCCCC(O)=O
MolPort-035-882-134	0.63	CCCC\C=C/CCCCCCCCC(O)=O
MolPort-044-727-743	0.63	CCCC\C=C\CCCCCCCCC(O)=O
MolPort-001-788-274	0.63	CCCCCCCC\C=C/CCCCCCCC(O)=O
MolPort-042-678-978	0.63	CCCCCC\C=C/CCCCCCCC(Cl)=O
MolPort-035-944-162	0.63	CCCCCCCCC=CCCCCCCCCCCCC(N)=O
MolPort-001-740-137	0.63	CCCCCC\C=C/CCCCCCCC(O)=O
MolPort-001-781-865	0.63	CCCCCCCC\C=C\CCCCCCCC(Cl)=O
MolPort-039-010-546	0.63	OC(=O)CCCCCCCC=CCCCCCCCC(O)=O
MolPort-023-332-220	0.63	OC(=O)CCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-044-727-744	0.63	CCCCCC\C=C\CCCCCCCCC(O)=O
MolPort-046-763-123	0.63	CCCC\C=C/CCCCCCCCCC(O)=O
MolPort-001-739-604	0.63	CC(C)CCCCCC\C=C/CCCCC(O)=O
MolPort-046-153-143	0.63	CC(C)[C@H]1CC[C@]2(C)C([C@H]1C(C=O)=C2C)C(O)=O
MolPort-046-692-934	0.63	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-023-298-990	0.63	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-006-118-882	0.63	CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
MolPort-035-771-241	0.63	NC1=CC(=O)CC2(CCC2)C1
MolPort-023-220-687	0.63	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
MCULE-9914820446	0.63	C(/CCCCCCC(C)C)=C/CCCCC(O)=O
MCULE-2886059366	0.63	CCCCCCCCC=CCCCCCCCCCC(N)=O
MCULE-8793586472	0.63	NC1=CC(CC2(CCC2)C1)=O
MCULE-7375016319	0.63	[C@H]12C(C=O)=C(C)[C@](C)(CC[C@@H]1C(C)C)C2C(O)=O
MCULE-9060371972	0.63	C12CC[C@H](O)[C@@]1(C)CCC(=O)C=2
MCULE-3588728893	0.63	C1(C)C(=O)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C=1C
MCULE-6319129849	0.63	C1(Br)=C(Br)C2C(C)(C)C(C)(CC2)C1=O
MCULE-9439225491	0.63	CC1C(=O)C(C)=C(CC[C@](O)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C(=O)C=1C
MCULE-1245933135	0.63	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CCC4=C3C=CC2=CC1=O
MCULE-3800645142	0.63	CCC(C(C1CC(N)CC=1)=O)C
MCULE-4202565953	0.63	C1CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C(O)=O)(C)C1)C
MCULE-9853941800	0.63	CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
MCULE-3637925262	0.63	CCC(C(C1CCCC=1)=O)(F)F
MCULE-8619487281	0.63	CC(C1(C(C2CCCC=2)=O)CC1)(F)F
MCULE-2582517969	0.63	C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C
MCULE-1097315553	0.63	FC(C1(C(C2CCCC=2)=O)CC1)F
MCULE-6190365385	0.63	C(O)(CC1(C)C(CC(O)=O)(CC=C2C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12)[H])=O
MCULE-8928261768	0.63	C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@](C(=O)O)(C)C1
MCULE-9840181952	0.63	C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@@](C(=O)O)(C)C1
MCULE-5541619791	0.63	[C@]12(C)CCC[C@@](C)(C(O)=O)[C@]1([H])CCC1=C[C@@](CC[C@]12[H])(C)C=C
MCULE-9024921933	0.63	OC(C(CC1C2C=CC(CC2)C1)=O)=O
MCULE-4428892848	0.63	C1CCC2(C)C3CCC(C=C)(C)C=C3CCC2C1(C(=O)O)C
MCULE-4320729921	0.63	C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-3655330509	0.63	OC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-5208181398	0.63	C1(C(=C(O)C(=O)C23C1C(C)C=CC2CCC(=O)C3)C)=O
MCULE-3248745724	0.63	C(CCCCCCCC)=CCCCCCCCCCCCC(=O)O
MCULE-2031804178	0.63	C1(CCC(C)=O)=C(C)CCC1C(C)=C
MCULE-5077473579	0.63	C(CCCCCCC(=O)O)CCCC/C=C\CCCCCC
MCULE-5119823846	0.63	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)N
MCULE-7702176615	0.63	CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
MCULE-2101563329	0.63	O=C(CCCCCCCC=CCCCCCCCC)N
MCULE-5189112501	0.63	C1(=O)C2C3C4C1C1C=CC5C1C4C1C3C2C(=O)C15
MCULE-7592205580	0.63	C(/CCCCCC(C)CC)=C/CCCCC(O)=O
MCULE-8054022250	0.63	C(CCCCCCCCC=CCCCCCC)(O)=O
MCULE-1236789578	0.63	CCCCCCCC/C=C\CCCCCCCC(=O)N
MCULE-8798348917	0.63	C(CCCCCCC(=O)O)CCCCCC/C=C\CCCCCCCC
MCULE-1046270451	0.63	OC(CCCCCCCC=CCCCCCCCC(=O)O)=O
MCULE-9928356247	0.63	C12C3C4C5C(C(C(=O)C1=O)C4CC3)C=CC25
MCULE-8191255112	0.63	CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
MCULE-2517446049	0.63	C(CCCCCCCCCCCC([H])=C([H])CCCCCCCC)(N)=O
MCULE-7761893081	0.63	C(CCCCCC(=O)O)CC/C=C\CCCCCCCC
MCULE-6044533117	0.63	OC(CCCCCCC/C=C\CCCCCCCC)=O
MCULE-9547538729	0.63	CCCCCCCCC=CCCCCCCCC(O)=O
MCULE-3046418352	0.63	CCCCCCCC/C=C/CCCCCCCC(=O)O
MCULE-8315425906	0.63	CCCCCCC=CCCCCCCCC(N)=O
MolPort-035-706-224	0.63	CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
MolPort-001-741-862	0.63	CC1CCC2C(C)(CCC(O)C2(C)C=O)C1CC\C(C)=C/C(O)=O
MolPort-046-594-326	0.63	CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
MolPort-029-942-945	0.63	C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C/C(O)=O
MolPort-023-220-689	0.63	C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
MolPort-023-274-403	0.63	CC(=O)C1=CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C
MolPort-005-910-094	0.63	CC1CCC=C2CCC(CC12C)C(C)=C
MolPort-046-793-033	0.63	CC(C)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C(C)C2[C@@H]13
MolPort-046-765-406	0.63	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)C(O)=O
MolPort-006-112-811	0.63	C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-039-338-148	0.63	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-028-599-903	0.63	C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
MolPort-002-833-196	0.63	CC(C)C(C)\C=C\C(C)C1CCC2C3CC(=O)C4CC(Cl)CCC4(C)C3CCC12C
MolPort-002-515-580	0.63	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCO1
MolPort-035-705-806	0.63	COC(=O)\C=C(/C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC=C2C(O)=O
MolPort-002-527-896	0.63	C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CC[C@@]21CCO1
MolPort-002-507-184	0.63	C[C@@H]1CCC=C2CC[C@H](C[C@@]12C)C(C)=C
MolPort-003-800-707	0.63	CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C#N
MolPort-044-755-235	0.63	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC=CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-524-727	0.63	CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-507-828	0.63	CC1(C)C2CCC1(C)C(C2)C1=CCCCC1
MolPort-046-646-888	0.63	CC1(C)[C@@H]2C[C@H]1C(=C)C(=O)C2
MolPort-005-945-123	0.63	COC(=O)\C=C(/C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)[C@H]1CCC=C2C(O)=O
MolPort-002-529-137	0.63	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-740-674	0.63	C[C@@]12CC[C@H](C[C@H]1[C@H](CCC1(O)[C@@H]3C[C@@H](CC[C@@]3(C)C=CC1=O)C(=C)C(O)=O)C(=O)C=C2)C(=C)C(O)=O
MolPort-002-534-834	0.63	CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-038-386-562	0.63	CC1(C)CCCC2(C3CCC(C)(C=C)C=C3C(=O)CC12)C(O)=O
MolPort-039-338-333	0.63	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-046-765-744	0.63	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](O)[C@@H]2C(O)C(O)=O
MolPort-005-945-021	0.62	CC\C=C\CC1=C(CCCCCCCC(O)=O)CCC1=O
MolPort-046-153-747	0.62	C[C@H]1C[C@@H](O)[C@H](CC2=C(C)C(=O)C[C@H]12)C(C)(C)O
MolPort-046-646-765	0.62	OC(=O)C1=CC2CCCC12
MolPort-001-742-388	0.62	CC1(C)CC2C1CC\C(=C/CCC2=C)C(O)=O
MolPort-039-338-122	0.62	C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O)C(O)=O
MCULE-6072665694	0.62	C12=CC(=O)[C@]3([C@](C)(CC[C@@H](O)C3)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
MCULE-6401226702	0.62	CC=CC(C1(CCCCC1)O)=O
MCULE-4292909613	0.62	CC(C(C1CCC2(CC2)CC1)=O)=C
MCULE-4588166214	0.62	[H]C12CCC=CC1(C)C1CCC3(C)CCCC3C1CC2
MCULE-6891127079	0.62	FC(C(CC1CC=CCC1)=O)(F)F
MCULE-9134588789	0.62	NC1(C(CC2CC=CCC2)=O)CCCC1
MCULE-3644985415	0.62	[H]C12CCCC1(C)C1CC=C3C4(C(C)C(C)CCC4(C)CCC3(C)C1(C)CC2)[H]
MCULE-7865324905	0.62	C12CC3C(CC(O)C(O)C3)CC1(C)C=CC1=C(C)C(=O)CCC21
MCULE-5554933328	0.62	CC(C(CC1CC=CCC1)=O)(F)C
MCULE-1323295889	0.62	C1C[C@@H](C(C(O)=O)=C)C[C@@]2([H])C(O)(CC[C@@]3([H])[C@]4([H])C[C@H](C(=C)C(=O)O)CC[C@@]4(C)C=CC3=O)C(=O)C=C[C@@]21C
MCULE-2176684677	0.62	O=C1CCC2(C)C(=C1)CC=C1C3CCC(C(C)C(Br)C(Br)C(C)C(C)C)C3(C)CCC21
MCULE-7424984034	0.62	C1C[C@]2([H])[C@@](C)(CC/C(=C/C(OC)=O)/C)[C@H](C)CC[C@@]2(C)C(C(=O)O)=C1
MCULE-9207192092	0.62	NC1C(C(CC2CC=CCC2)=O)CCC1
MCULE-1070537748	0.62	[H]C12CCCC1(C)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-1925585665	0.62	NC1(C(CC2CC=CCC2)=O)CC1
MCULE-1916767135	0.62	O=C1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
MCULE-8264831774	0.62	NC1(C(CC2CC=CCC2)=O)CCC1
MCULE-8297909332	0.62	[C@]12(C)CC[C@@H](C[C@]1([H])C(=O)C[C@@]1([H])[C@]3([C@@](C)([C@H](CC3)[C@H](C)C=C[C@H](C)C(C)C)CC[C@@]12[H])[H])Br
MCULE-6190050690	0.62	C1(C=O)C(O)(C=O)C[C@@]2([C@@](CCCC2)(C)C=1)[H]
MCULE-7333041840	0.62	CC(C(CC1CC=CCC1)=O)(F)F
MCULE-9692362001	0.62	C/C(/C)=C/C(C1CC2C(F)(F)C2C1)=O
MCULE-5503440064	0.62	[H]C12C(C)(C)CC=CC1(C)C1CCC3(C4(C(C(C)C)CCC4(C)CCC3(C)C1(C)CC2)[H])[H]
MCULE-8214516455	0.62	C12CCCCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
MCULE-4801038069	0.62	NC1CC(C(CC2CC=CCC2)=O)C1
MCULE-5051897823	0.62	C12C(C)(C)CCCC1(C)C1CCC3(C)CCCC3C1CC=2
MCULE-8749402240	0.62	C/C(/C)=C/C(C1(C(N)CCCC1)C)=O
MCULE-5791637196	0.62	C1CCC23CC12C(O)C=CC3=O
MCULE-5616785989	0.62	C12(C)C(C)CCC=C1CCC(C(C)=C)C2
MCULE-4937005028	0.62	[C@]12(C)CCC3C(CCC4=CC(=O)CCC43)C1CC[C@]12CCO1
MCULE-2633944962	0.62	CC(C(C1CC2(CC2)CCC1)=O)=C
MCULE-7689798420	0.62	CC1(C(=O)C(=CC(O)=O)CC1)C
MCULE-3252719863	0.62	C1(C#N)(C#N)C2(CCCCC2)C2CCCCC2=C(C#N)C1=O
MCULE-1046459546	0.62	FC(C(CC1CC=CCC1)=O)F
MCULE-1012434291	0.62	C=CC(C1CC2(CC2)CCC1)=O
MCULE-2735934269	0.62	OC1(C(CC2CC=CCC2)=O)CCCC1
MCULE-8654516173	0.62	C12(C)CCC(CC1C(=O)CC1C3C(C)(C(CC3)C(C)C=CC(C)C(C)C)CCC12)Cl
MCULE-4504889503	0.62	[C@]12(C)CC[C@H](O)C(C)(C)[C@]1([H])CC=C(C=O)[C@@H]2C#N
MCULE-5756833407	0.62	[C@]12(C)[C@H](C)CCC=C1CC[C@@H](C(=C)C)C2
MCULE-7277661521	0.62	C1C(O)C2(C)C3C(O)CC4(C)C(C(C)=O)=CCC4C3CC=C2CC1O
MCULE-1361690752	0.62	CC1(/C(=C\C=C\C)/C(=CC(=O)C1)C)C
MCULE-8718833430	0.62	C1(=CC=CC)C(C)(C)CC(=O)C=C1C
MCULE-2422100047	0.62	C1(C/C=C/CC)=C(CCC1=O)CCCCCCCC(=O)O
MCULE-7888329175	0.62	C1(C(CCC)=O)C(=O)CC(CC=1Cl)(C)C
MCULE-2519630522	0.62	C12C(CCC=C(C(O)=O)CCC1C(C)(C)C2)=C
MCULE-7543238538	0.62	C(O)(=O)CCC1C(=O)CCCC=1
MCULE-4134342158	0.62	[C@@]12([H])[C@@H](C)C[C@@H](O)[C@@H](C(O)(C)C)CC1=C(C)C(=O)C2
MCULE-5277306782	0.62	O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]21
MCULE-9564533694	0.62	OC(=O)/C=C/CCCCCCCCCCCC(=O)O
MCULE-5766695755	0.62	C(F)(F)(F)C1CC=CC(=O)C1
MCULE-6217200752	0.62	O=C(O)[C@]12[C@@](C3=CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])([H])[C@@H](C)[C@H](C)CC2
MCULE-3629918410	0.62	O=C(CCC(C)C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)CC
MCULE-7510220469	0.62	C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(=C1)CO)C
MCULE-1261827700	0.62	OC(=O)/C=C/CCCCCCCCCC(=O)O
MCULE-9335086572	0.62	CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
MCULE-9474095410	0.62	[C@@H]1(O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CC[C@H]([C@@H]1C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
MCULE-2538866374	0.62	C(C1C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C)(=O)C
MCULE-6089018925	0.62	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
MCULE-5563387154	0.62	C1=CC2C(=O)C(=O)C1(C(C)(C)C)C1C=CC12
MCULE-8045386580	0.62	C1(=O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CCC(C1)(C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
MCULE-1308336736	0.62	C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C(C(O)CC[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)C(C)C21)C(O)=O)[H]
MCULE-5765051698	0.62	C(CCCC=CC(O)=O)CCCCC(O)=O
MCULE-9672606479	0.62	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)=O
MCULE-4006235073	0.62	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)=O
MCULE-7088367969	0.62	[C@@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@H](O)C2(C)C)[H])C(O)=O
MCULE-2847349308	0.62	[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC=O)CC3)CC=2
MCULE-4269813571	0.62	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
MCULE-2451101251	0.62	C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
MCULE-6888052424	0.62	C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-3143886740	0.62	C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-5967042891	0.62	[C@]12(C)CCC3[C@@]([H])(CC([C@@]4([H])CC=CC[C@]34C)=O)C1CCC2[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C
MCULE-5064546197	0.62	[C@H]1(C)[C@H](C)[C@@]2([H])C3=CC[C@@]4([C@@]5(C)CCC(C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1)=O)[H]
MCULE-9526433855	0.62	[C@]12(C)CCC3[C@@]([H])(CC=C4CC(O)CC[C@]34C)C1C[C@@H](C)[C@]2(C)C(C)=O
MCULE-4738347913	0.62	C1(C(C)(C)C)=CC2(C(C)(C)C)C(=O)C(=O)C1C1C=CC12
MCULE-2615091969	0.62	O=C1C(C2CCCCC2)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-6367656540	0.62	C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O)[H]
MCULE-5111117747	0.62	C[C@H]1[C@H](C)[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
MCULE-7491068561	0.62	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
MCULE-1547137893	0.62	C12CCC(C(C)CCCC(=O)C)C1(C)CCC1C3(C)CCC(O)CC3=CCC21
MCULE-7829183730	0.62	O=C1C(C(C)C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-6728895797	0.62	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC1CCCCC21C(C)=O
MCULE-6992455059	0.62	CCCCCCC/C=C/CC(=O)C
MCULE-3600108582	0.62	CC1CC(C(CC2CC=CC2)=O)C1
MCULE-4937917272	0.62	CC1(C(C(CC2CC=CC2)=O)C1)C
MCULE-1960015964	0.62	O=C(C1CCC1)CC1CC=CC1
MCULE-9162899306	0.62	CC1(C(CC2CC=CC2)=O)CC1
MCULE-3945470935	0.62	CC1C(C(CC2CC=CC2)=O)C1
MCULE-4126828958	0.62	CC1(C(C)(C)C1C(CC1CC=CC1)=O)C
MCULE-8591003562	0.62	O=C(C1CC1)CC1CC=CC1
MCULE-1703362786	0.62	NC1CC(C(C2CCCCC=2)=O)=CC1
MCULE-7929024326	0.62	C1(O)C(=O)C=C(C)C2(CCC(C(O)(CO)C)C2)C1C
MCULE-9797468470	0.62	CCC([C@]1(C)[C@@]2(C)C[C@H](O)[C@@H]3[C@]4(C)C(=CC(C=C4)=O)CC[C@H]3[C@@H]2C[C@H]1C)=O
MCULE-9468460485	0.62	C/C(/C)=C/C(CC1C(N)CCC1)=O
MCULE-2611969931	0.62	[C@@H]1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-2012587344	0.62	C1=CC2C3C4C5C(C(=O)C(=O)C2C4C=C5)C13
MCULE-7297514190	0.62	C1C(=O)C(=C(C)N)CCCCC1
MCULE-8955106048	0.62	C1(C)(C)C(=O)C2C(C)(C)C2C=C1
MCULE-2893862044	0.62	[Na+].C(CCCCCC([O-])=O)CC=CCCCCCCCC
MCULE-3222494622	0.62	C12CCC3C(C3CCC=CCCC1C2C(O)=O)C(O)=O
MCULE-2324385738	0.62	C12(C)C(=O)CC(C)(C)C1C=C2
MCULE-9679772381	0.62	OC(C(=CC1CCCCC1)C)=O
MCULE-2093338891	0.62	C1(=O)/C(=C2\CCCC\2)/CC/C/1=C1\CCCC\1
MCULE-8296595045	0.62	CC(CC1CCCCC1)=C(C(O)=O)C
MCULE-3585111676	0.62	C/C(/C)=C/C(C[C@H]1[C@H](N)CCC1)=O
MCULE-2467601128	0.62	C1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-4188975486	0.62	O=C(CCCCCCCC=CCCCCCCCC)[O-].[K+]
MolPort-046-419-080	0.62	C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-589-954	0.62	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-002-507-433	0.62	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-001-736-568	0.62	CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
MolPort-000-729-105	0.62	CC1(C)CCC2(CC[C@]3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
MolPort-008-430-076	0.62	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C2C1C)C(O)=O
MolPort-003-929-763	0.62	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-003-983-927	0.62	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-046-761-810	0.62	[2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC([2H])([2H])C3=O)[C@@H]2C1
MolPort-044-754-166	0.62	OC(=O)CCCCCCCCC\C=C\C(O)=O
MolPort-002-507-280	0.62	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]34C)C2C1C)C(O)=O
MolPort-044-754-165	0.62	OC(=O)CCCCCCCCCCC\C=C\C(O)=O
MolPort-000-720-642	0.62	CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-001-740-060	0.62	C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
MolPort-004-802-886	0.62	CC1CCC(O)=CC1=O
MolPort-021-804-631	0.62	CC1(CCCC2(C)C1CCC13CC(CO)C(C1)CC=C23)C(O)=O
MolPort-002-507-455	0.62	C[C@@H]1CC2[C@@H]3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-002-527-265	0.62	C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
MolPort-003-666-312	0.62	CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-596-264	0.62	C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-046-691-997	0.62	[2H]C([2H])([2H])C(=O)[C@@]1([2H])CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-004-955-261	0.62	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-046-765-250	0.62	C[C@@H](C=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-001-740-468	0.62	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@H]1C)C(O)=O
MolPort-046-764-596	0.62	CC(CCCC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-597-698	0.62	C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
MolPort-001-740-913	0.62	C[C@@]1(CCC2C(C1)=CCC1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MolPort-001-740-955	0.62	CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(O)=O
MolPort-001-741-050	0.62	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O
MolPort-039-338-864	0.62	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-002-525-706	0.62	CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
MolPort-002-506-906	0.62	CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-891-893	0.62	CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
MolPort-009-198-793	0.62	CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-020-005-912	0.62	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-002-158-261	0.62	CC(=O)C12CCCCC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
MolPort-028-610-143	0.62	OC(=O)CCCCCC\C=C\C(O)=O
MolPort-003-927-207	0.62	OC(=O)CCCCCCCC\C=C\C(O)=O
MolPort-003-939-637	0.62	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-007-980-916	0.62	CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
MolPort-046-762-480	0.62	CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-193-919	0.62	CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O
MolPort-039-052-704	0.62	CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CC[C@]5(CO)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
MolPort-002-514-284	0.62	CC(C)C1=C[C@@]23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
MolPort-035-784-288	0.62	O.CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-005-909-640	0.62	CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)C1CCC2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)C3CC[C@]12C
MolPort-002-525-209	0.62	C[C@H](CCCC(C)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-911-249	0.62	CC(CCCC(C)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-035-706-406	0.62	CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@H](O)[C@]5(C)C(O)=O)CC3=CC[C@@H]12
MolPort-009-018-817	0.62	OC(=O)CCCCCCCC\C=C/C(O)=O
MolPort-039-338-320	0.62	C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MolPort-002-522-274	0.62	CC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-039-338-968	0.62	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-002-534-996	0.62	C[C@@H]1CCC2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(O)C(C)(C)[C@@H]5CC[C@@]34C)C2C1C)C(O)=O
MolPort-002-524-169	0.62	C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
MolPort-028-950-611	0.62	FC(F)(F)C1CCC(=O)C=C1
MolPort-027-835-590	0.62	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-027-834-998	0.62	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
MolPort-002-525-147	0.62	C[C@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@@H]1C)C(O)=O
MolPort-046-596-590	0.62	CC(=O)C12CCCC[C@@H]1C[C@H]1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
MolPort-046-690-081	0.62	C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
MolPort-046-689-994	0.62	C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-039-338-301	0.62	CC1C(O)C(=O)C=C(C)C11CCC(C1)C(C)(O)CO
MolPort-006-111-036	0.62	[Na+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-044-723-428	0.62	[Na+].CCCCCCCCC=CCCCCCCCC([O-])=O
MolPort-028-962-365	0.62	CC(O)CO.CCCCCCCC\C=C/CCCCCCCC(O)=O
MolPort-044-831-841	0.62	OC(=O)CC1CCC=CCC1
MolPort-025-801-672	0.62	CC1CCC(CC1)C=C(C)C(O)=O
MolPort-006-118-208	0.62	[Na+].CCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-006-111-035	0.62	[K+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-006-116-655	0.62	[Bi+3].CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-002-720-719	0.62	O=C1C(CCC1=C1CCCC1)=C1CCCC1
MolPort-035-785-432	0.61	[Na+].CCCCCCCCCCCCCCCCCC\C(=C/C([O-])=O)C(O)=O
MolPort-001-742-389	0.61	C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(O)=O
MolPort-038-934-350	0.61	[Na+].[Na+].CCCCCCCCCCCCCCCCCC\C(=C/C([O-])=O)C([O-])=O
MolPort-039-338-097	0.61	C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
MolPort-039-052-723	0.61	C[C@H](CC\C=C(/CO)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CCC(=O)C4(C)C
MolPort-039-052-641	0.61	C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-001-769-758	0.61	CCCC\C=C\C=O
MolPort-035-766-462	0.61	C1[C@H]2C[C@H]3C[C@@H]1C[C@@H](C2)C3=C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
MolPort-028-600-701	0.61	CCCCCCC(=O)C=C
MolPort-003-960-166	0.61	CCC(C)C(=O)\C=C\C
MolPort-003-960-136	0.61	CCCCCC(=O)C=C
MolPort-046-067-789	0.61	CC(C)(O)CC[C@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)C4C[C@H](O)C(O)C[C@]4(C)C3CC[C@]12C
MolPort-046-765-411	0.61	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C[C@H](O)C2(O)C#C
MolPort-020-005-976	0.61	C[C@@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-020-005-977	0.61	C[C@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-068-912	0.61	CC(C)(O)CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-005-933-631	0.61	C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-046-054-510	0.61	CC(C)(O)CC[C@@H](O)C(C)(O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
MolPort-002-511-922	0.61	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](O)[C@]2(O)C#N
MolPort-027-853-691	0.61	CC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-000-728-523	0.61	CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)CC4(C)[C@H]3CCC12C
MolPort-021-804-511	0.61	CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(O)CO
MolPort-046-693-458	0.61	CC(C)CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-338-665	0.61	CC(CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-911-165	0.61	C[C@]1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C
MolPort-006-822-587	0.61	CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-561-113	0.61	C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O
MolPort-046-153-146	0.61	CC12CC(=O)C3=C(CCC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
MolPort-008-322-993	0.61	CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
MolPort-035-706-518	0.61	C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
MolPort-002-508-969	0.61	C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CBr
MolPort-001-741-221	0.61	C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)C(C)(C)O
MolPort-039-338-087	0.61	CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-741-219	0.61	CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-002-507-287	0.61	CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-933-119	0.61	C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-508-947	0.61	CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-000-733-785	0.61	CC(C)\C=C\C(=O)CC\C=C(/C)CCC=C(C)C
MolPort-006-116-724	0.61	CC1=CCC(=O)CC1
MCULE-2705141143	0.61	[C@@]12(C)[C@@H](C)CCCC1=CC[C@H](C2)C(=C)C(O)=O
MCULE-7823688397	0.61	NC1CC(C(C2CC2)=O)=CC1
MCULE-4123594469	0.61	C(/CC)(\CC)=C(\C)/C(=O)CC
MCULE-9605328516	0.61	C(CC)(C)(C)C1CC=CCC1
MCULE-8611596992	0.61	C(C=CC(CC)CC)(C)=O
MCULE-4997792867	0.61	C1(CCCCC1)C=CC1CCCCC1
MCULE-6864358337	0.61	C1C(C(C)C)=CCC(C(C)C)C1
MCULE-1655274985	0.61	C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CCC21O)C(C)(O)C(O)CCC(C)(C)O
MCULE-6086039312	0.61	O=C1C2(O)C(C)(CCC(O)C2)C2(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C2=C1)[H]
MCULE-6709791224	0.61	C1CC2(C)C3C(=O)CC4(C)C(C(CCC(=O)O)=C)CC(O)C4(C)C=3CCC2C(C)(C)C1=O
MCULE-4797309594	0.61	[C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@@H](C)CO)C)C)O
MCULE-4964860916	0.61	C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(O)(C)C(O)CCC(C)C)=O
MCULE-5643440248	0.61	[C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@H](C)CO)C)C)O
MCULE-5396685230	0.61	C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(C)C(O)CCC(O)(C)C)=O
MCULE-4167735225	0.61	C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21O)[C@H](C)[C@H](O)CCC(O)(C)C)=O
MCULE-3121556913	0.61	[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)CO)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MCULE-1128702855	0.61	C1C[C@]2(C)[C@@]3([H])CC(=O)[C@]4(C)[C@@]([H])([C@@H](C)O)CC[C@@]4([H])[C@]3([H])C=CC2=CC1=O
MCULE-4227913812	0.61	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CBr)=O
MCULE-3331110138	0.61	C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC(=O)[C@@]2(O)C[C@H]1O
MCULE-1821855723	0.61	C1(CC2(C3CCC4(C(CCC4C(C(O)CC(C)C(O)(C)CO)(C)O)(C3=CC(C2CC1O)=O)O)C)C)O
MCULE-3979294448	0.61	[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MCULE-9418551163	0.61	C12(C)C(O)(CCC1C1C(CC2O)C2(C)CCC(C=C2CC1)=O)C#N
MCULE-4479203479	0.61	[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MCULE-4546155810	0.61	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](O)[C@]2(O)C#N
MCULE-9660893096	0.61	C12=CC(=O)[C@]3([C@](C)(C[C@@H]([C@H](O)C3)O)[C@@]1([H])CC[C@]1(C)[C@@](CC[C@@]21O)([H])[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
MCULE-1963273832	0.61	[C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)C[C@@H](C)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
MCULE-6132152847	0.61	[C@H]1(O)C[C@]2(C)C3CC[C@]4(C)C([C@@](O)([C@H](O)C[C@H](C)C(C)C)C)CC[C@@]4(O)C3=CC(=O)C2C[C@H]1O
MCULE-6096990869	0.61	C(C)(C)(C)C1=CC(C(C(C1=O)Cl)(C(C)(C)C)Cl)=O
MCULE-8466128773	0.61	[C@H]1(O)C[C@]2(C)C3CC[C@]4(C)[C@@H]([C@@H]([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
MCULE-5632142516	0.61	C(C(CCC=C(C)CC/C=C(\C)/C)=O)=CC(C)C
MCULE-5396065385	0.61	C1C(=O)CC=C(C)C1
MCULE-3661382076	0.61	C1(=O)CCCC=C1Br
MCULE-6557651976	0.61	C1(=O)C2C=CC(=O)C2C=C1
MCULE-1144217583	0.61	C1(C=O)CCC(CCCC(O)(C)C)=CC1
MCULE-8492776496	0.61	FC1(CC(C(CC2CC=CCC2)=O)C1)F
MCULE-6498779184	0.61	C1(=C(/C)\N)\C(=O)CC(CC\1=O)(C)C
MCULE-5225411148	0.61	C12(C)CCCC(C)(C)C1CCC(C)(O)C2C=CC(C)=O
MCULE-8312923448	0.61	C12CCCC(=O)C=1CC(C(=O)O)CC2
MCULE-7200109721	0.61	CNC1CC(C(C2CCCCCC=2)=O)C1
MCULE-7145518562	0.61	C1(C(CCC)=O)C(=O)CC(CC=1N)(C)C
MCULE-2723569406	0.61	C1CC2(C)C3C(=O)CC4(C)C(C(CCC(=O)O)=C)CC(O)C4(C)C=3C(=O)CC2C(C)(C)C1=O
MCULE-4587868817	0.61	CC1(C(=O)CC[C@@]2(C)C1CC(C1[C@@]3(C)[C@]([C@@H]([C@@H](C[C@@H](/C=C(/C(=O)O)\C)O)C)CC3=O)(C)CC(=O)C=12)=O)C
MCULE-4319644651	0.61	CC(C(CC1CC2C(C2)CC1)=O)=C
MCULE-8344260744	0.61	C=CC(C1C2C(C2)CCC1)=O
MCULE-6001167281	0.61	C=CC(C12CCCCC1C2)=O
MCULE-1172262319	0.61	CC(C([C@H]1C[C@@H]2[C@@H](C2)C1)=O)=C
MCULE-4024786417	0.61	[H]C12C(C)(CC=CC1)C1(CCC3(C)C(C(C)CCC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-5311980903	0.61	C=CC(CC1CC2C(C2)C1)=O
MCULE-6260149584	0.61	C=CC([C@H]1C[C@@H]2[C@@H](C2)C1)=O
MCULE-5674842114	0.61	CC(C(C1C2C(C2)CCC1)=O)=C
MCULE-8332698653	0.61	CC(C(C1CC2C(C2)CC1)=O)=C
MCULE-8485688872	0.61	[H]C12C(C)(CC=CC1)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
MCULE-9364716709	0.61	CC(C(C12CCCC1C2)=O)=C
MCULE-9648893158	0.61	C=CC(CC1CC2C(C2)CC1)=O
MCULE-5496838191	0.61	C1C(CCC=1C)=O
MCULE-1123090644	0.61	CC(C(CC1CC2C(C2)C1)=O)=C
MCULE-9044416585	0.61	CC(C(C12CCCCC1C2)=O)=C
MCULE-9928521209	0.61	C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/CO)C(=C)CC[C@@]2([H])[C@@](C)(C=O)C1
MCULE-6492056036	0.61	OC(C=CC1C2CC3CC(C2)CC1C3)=O
MCULE-9881433750	0.61	CC(CC1CCCCC1)=CC(O)=O
MCULE-6657971505	0.61	CC1(C(=CC(O)=O)CCCC1)C
MCULE-5583031618	0.61	CC1(CC/C(=C/C(O)=O)/CC1)C
MCULE-3636319201	0.61	OC(C=CC1C2CCC(CC2)C1)=O
MCULE-9153738942	0.61	C(CCCCC=CC(C)C)(O)=O
MCULE-6973355480	0.61	C1C[C@](C)(C2[C@@](C)([C@@H](CC/C(=C/CO)/C)C(CC2)=C)C1)C=O
MCULE-4284204201	0.61	OC(C=CC1CCCCC1)=O
MCULE-1521149204	0.61	CC(C1CCCCC1)=CC(O)=O
MCULE-3408838682	0.61	O=C(/C=C/C1CCCCC1)O
MolPort-002-025-718	0.61	CC(=O)\C=C\C1C(C)(O)CCC2C(C)(C)CCCC12C
MolPort-001-833-113	0.61	CC(N)=C1C(=O)CC(C)(C)CC1=O
MolPort-006-717-257	0.61	BrC1=CCCCC1=O
MolPort-006-126-388	0.61	CC(C)(O)CCCC1=CCC(CC1)C=O
MolPort-002-480-076	0.61	CC(=O)C1=C(N)CC(C)(C)CC1=O
MolPort-002-111-791	0.61	CCCC(=O)C1=C(N)CC(C)(C)CC1=O
MolPort-019-937-276	0.61	CC1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
MolPort-046-153-147	0.61	CC12CC(=O)C3=C(C(=O)CC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
MolPort-001-793-640	0.61	CC1=CC(=O)CC1
MolPort-022-370-462	0.61	C\C(CC\C=C(/C)C=O)=C/C=O
MolPort-021-173-401	0.61	CC1(C)CCC(CC1)=CC(O)=O
MolPort-001-764-454	0.61	CC(C)\C=C\CCCCC(O)=O
MolPort-022-657-219	0.61	OC(=O)\C=C\C1CCCCC1
MolPort-013-566-425	0.61	OC(=O)C=CC1CCCCC1
MolPort-001-740-287	0.61	C\C(CC[C@H]1C(=C)CCC2[C@@](C)(CCC[C@]12C)C=O)=C/CO
MolPort-023-313-899	0.61	CC1(C)CCCCC1=CC(O)=O
MolPort-035-705-927	0.61	C\C(CC[C@H]1C(=C)CC[C@H]2[C@](C)(CCC[C@]12C)C=O)=C/CO
MolPort-020-060-277	0.61	CC(=CC(O)=O)C1CCCCC1
MolPort-002-745-401	0.61	NC(=O)C=C1C2CC3CC(C2)CC1C3
MolPort-006-124-549	0.61	C\C(=C/C(O)=O)C1CCCCC1
MolPort-044-878-248	0.61	CC1(C)CCCC\C1=C/C(O)=O
MolPort-005-173-631	0.61	CC(=CC(O)=O)C12CC3CC(CC(C3)C1)C2
MolPort-003-915-965	0.61	CC1CCC(CC1)=CC(O)=O
MolPort-002-145-731	0.61	OC(=O)C=C1C2CC3CC(C2)CC1C3
MolPort-005-211-933	0.61	CC(C)(C)C1CCC(CC1)=CC(O)=O
MolPort-003-698-717	0.61	CC(C)\C=C/CCCCC(O)=O
MolPort-002-486-942	0.61	C\C(=C/C(O)=O)C12CC3CC(CC(C3)C1)C2
MolPort-004-288-333	0.61	O=C1CC2CC=CC12
MolPort-001-785-925	0.60	CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(O)=O
MolPort-019-937-217	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-046-596-232	0.60	CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-506-984	0.60	C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-046-596-323	0.60	CC(C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
MolPort-002-526-836	0.60	C[C@]12CCC3[C@@H](CCC4=C3CCC(=O)C4)C1CCC2O
MolPort-044-649-711	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-001-740-467	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O
MolPort-004-956-486	0.60	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-046-596-363	0.60	C[C@@H]1CC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-021-804-810	0.60	CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
MolPort-002-509-462	0.60	C[C@@H]([C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
MolPort-046-693-069	0.60	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-002-526-688	0.60	C[C@]12CCC3[C@@H](CCC4=C[C@H](O)CC[C@]34C)C1CCC2=O
MolPort-039-338-353	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-002-510-407	0.60	C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-510-419	0.60	C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-044-755-197	0.60	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](Cl)CC[C@]34C)[C@@H]1CCC2=O
MolPort-000-726-918	0.60	C[C@@H]1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O
MolPort-000-831-717	0.60	C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-028-599-905	0.60	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-021-783-255	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-003-848-014	0.60	[2H]C([2H])([2H])C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-512-678	0.60	C[C@@H]1CC2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-020-005-953	0.60	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-002-524-878	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC(O)[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-044-755-246	0.60	CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-019-937-078	0.60	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-006-069-150	0.60	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-005-944-839	0.60	C[C@@H]1CC[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CC\C(CO)=C\C(O)=O
MolPort-002-800-539	0.60	CC12CCC3C(CCC4=CC(O)CCC34C)C1CCC2=O
MolPort-046-692-950	0.60	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-044-649-584	0.60	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(F)=O
MolPort-035-706-386	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-035-706-388	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-006-394-338	0.60	C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-389	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-044-183-134	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
MolPort-042-675-461	0.60	C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-035-706-450	0.60	C[C@H]1[C@H](CO)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
MolPort-044-649-700	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(F)=O
MolPort-006-111-348	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-035-785-285	0.60	C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-005-944-959	0.60	CC1(C)C(=O)CCC2C1=CCC1CC(C)(C=C)C(O)CC21C
MolPort-002-521-548	0.60	C[C@@H]1C[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-002-116-843	0.60	CC1CC2C3CCC4CC(O)CCC4(C)C3=CCC2(C)C1(O)C(C)=O
MolPort-002-176-718	0.60	CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-046-596-401	0.60	C[C@]12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2O
MolPort-002-506-869	0.60	C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34CO)C1CCC2=O
MolPort-038-386-585	0.60	OC(CCCCCCCC(O)=O)\C=C\C(O)=O
MolPort-046-762-885	0.60	CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@H]2C1)C(O)=O
MolPort-030-042-288	0.60	CC12CCC3C(CC=C4CC(O)CCC34CO)C1CCC2=O
MolPort-002-506-868	0.60	C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MolPort-046-764-565	0.60	C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-002-911-151	0.60	C[C@]1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC12C
MolPort-003-848-328	0.60	C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C
MolPort-004-964-596	0.60	CC(=O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C
MolPort-044-755-231	0.60	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34O)[C@@H]1CCC2=O
MolPort-002-799-483	0.60	CC(=O)CC[C@]1(C#N)[C@H](CC=C(C)C1=O)C(C)=C
MolPort-046-697-317	0.60	CC(C)C1CC(O)C2(C)CCC3(CO)CC4=C(CCC4C4(C)CC4C3C12)C(O)=O
MolPort-019-936-820	0.60	COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CCC1=CC(=O)[C@@H](C1)CCC2=O
MolPort-003-847-336	0.60	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-022-366-503	0.60	OC(=O)CC1CCC=CC1
MolPort-039-343-842	0.60	CCC12CC(=C)C3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
MolPort-046-766-230	0.60	C[C@]12C[C@@H](O)[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-000-208-077	0.60	CC(=O)[C@@]1(O)CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-003-663-637	0.60	OC(=O)C1CCC\C=C/CC1
MolPort-046-766-296	0.60	C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(CO)C[C@]34C)[C@@H]1CC[C@@]2(O)C#C
MolPort-021-804-579	0.60	CC(C)(O)C(O)C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-046-792-919	0.60	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-046-508-765	0.60	OC(=O)C[C@H]1CCC=CC1
MolPort-044-830-290	0.60	C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-039-338-206	0.60	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@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
MolPort-046-693-056	0.60	C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-006-668-275	0.60	CC(C)[C@](C)(O)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
MolPort-006-167-524	0.60	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-690-024	0.60	CC[C@@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
MolPort-046-690-013	0.60	[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](C[C@@H](O)C3=CC(=O)CC[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
MolPort-046-702-539	0.60	C[C@]12C[C@H](O)[C@H]3[C@@H](CC(O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
MolPort-002-354-428	0.60	CC(=O)C1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C
MolPort-001-741-653	0.60	CC(C)(O)CC(O)CC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
MolPort-046-596-375	0.60	C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
MolPort-046-764-998	0.60	C[C@]12C[C@H](O)[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-046-765-287	0.60	[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-001-740-023	0.60	C[C@H]1[C@H](O)CCC2=CC(=O)[C@](O)(C[C@]12C)C(C)=C
MolPort-039-052-429	0.60	C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC\C([C@@H](CCC(O)=O)[C@]3(C)CC[C@]12C)=C(/C)C(O)=O
MolPort-046-589-760	0.60	CCCCCCCC\C=C/CCCCCCC(O)C(O)=O
MolPort-001-739-246	0.60	CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO
MolPort-002-507-453	0.60	CC(=O)[C@@]1(O)C(Br)CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-002-508-612	0.60	C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
MolPort-003-941-707	0.60	C[C@]12C[C@H](O)[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-046-153-808	0.60	C[C@]12CC[C@H]3C(=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]34C)[C@]1(O)CCC2=O
MolPort-002-510-459	0.60	CCOC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-019-999-009	0.60	CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-002-510-852	0.60	CC(=O)[C@@]1(O)C(Br)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-765-400	0.60	C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34C(O)=O)[C@H]1CCC2=O
MolPort-002-510-943	0.60	C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
MolPort-002-511-183	0.60	C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
MolPort-002-511-517	0.60	C[C@]1(O)CCC2C3CCC4=C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-765-463	0.60	CC[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@H]34)[C@@H]1CCC2(O)C#C
MolPort-044-649-594	0.60	COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
MCULE-6805519453	0.60	[C@]12(C)CCC(C(Cl)=C1CCC1C2CC[C@]2(C1CCC2O)C)=O
MCULE-1782460700	0.60	CC(C1(C2(C)C(C3C(CC2)C2(C)C(=CC(CC2)=O)C=C3)CC1)O)=O
MCULE-6144873686	0.60	C12=CC(=O)[C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21O)=O
MCULE-1844358842	0.60	[C@H]1(O)C[C@@]2(C3CC[C@]4([C@](CCC4[C@](O)(C)[C@H](O)C[C@](O)(C)C(C)C)(O)C3=CC(C2C[C@H]1O)=O)C)C
MCULE-9916460202	0.60	[C@]12([H])C[C@@]3(C)CC[C@H]([C@@H](C)/C=C\C=C(\C)/C)[C@]3([H])CC=C(C=O)[C@]1([H])C(C=C2C)=O
MCULE-3654543866	0.60	C1(C(CCC)=O)C(=O)CC(CC=1S)(C)C
MCULE-7588379835	0.60	C1CC(C2C(O)CC(C)=CC(=O)C21C)(O)C(C)C
MCULE-6879064173	0.60	C12C[C@@H](CC[C@H](C)[C@]1([H])CC(=O)C=2C)C(=C)C(O)=O
MCULE-6765751415	0.60	C1(C(C)=O)C(=O)CC(CC=1S)(C)C
MCULE-2108521830	0.60	CC(C(C1CCCC=1)=O)(C(F)F)C
MCULE-4561792763	0.60	CC(C(F)(F)F)(C(C1CCCC=1)=O)C
MCULE-4481243672	0.60	C123CC(=O)C(C#N)([H])C1(CC=CC2)CC=CC3
MCULE-2911613762	0.60	[C@H]1(C[C@H]2C[C@@H]1C=C2)CC(O)=O
MCULE-1451098096	0.60	C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2=O)C)=C
MCULE-4179453466	0.60	CC1(C(CC2CC=CCC2)=O)C(F)C1
MCULE-3733885681	0.60	BrC1=CC(=O)CCC1
MCULE-6301076627	0.60	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(C)=O)[H]
MCULE-8259872102	0.60	C(C)(C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-4275950574	0.60	[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)C(O)=O
MCULE-2675118265	0.60	C1[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CCC1(C)C
MCULE-3141539281	0.60	C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
MCULE-2299251979	0.60	C[C@@]12CC[C@@]3([H])C([C@@H](O)[C@H](O)C[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C(=O)O)CC[C@@]21C)(C)C
MCULE-1780641937	0.60	C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C([C@@H](O)[C@H](O)C[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
MCULE-7400696054	0.60	C12C3C4C5C1C=CC5C2C4C(C(O)=O)C3C(O)=O
MCULE-1591105974	0.60	C12(CO)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)O
MCULE-9211922250	0.60	C12[C@H]3[C@@](CCC(C)(C)C3)(C(O)=O)CC[C@]1(C)[C@@]1(C)CC[C@@H]3[C@@](C)(CC[C@H](O)[C@@]3(C)CO)[C@H]1CC=2
MCULE-8155210029	0.60	C[C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CO
MCULE-2313378449	0.60	C(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-5390747778	0.60	[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(O)=O)[H]
MCULE-9071849084	0.60	C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CC(C)C2(O)C(C)=O)[H]
MCULE-3800481886	0.60	C1(C)(C)C[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@](CO)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
MCULE-4161096186	0.60	BrCC(C1C2C=CC(CC2)C1)=O
MCULE-5885912327	0.60	ClC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)=O
MCULE-7172594390	0.60	C1C[C@@]2([H])[C@@](CC[C@H]([C@]2(C)CC/C(=C/C(=O)O)/CO)C)(C(CO)=C1)C
MCULE-1602610126	0.60	CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CC=C32)CC1
MCULE-6557448423	0.60	C12CC[C@@](O)(C)C1(C)CCC1C3CCC(=O)CC=3CCC21
MCULE-7633761938	0.60	C(O)(C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)=O
MCULE-5877634747	0.60	ClC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=O
MCULE-3614931522	0.60	CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2(C([C@]4([C@](CC2)(C(=O)O)CC[C@@H](C)[C@@H]4C)[H])=CC3)C)[H])(C)C[C@@H](O)[C@@H]1O)C
MCULE-6460864523	0.60	ClCC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-5059257985	0.60	[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC(O)=O)CC3)CC=2
MCULE-3333105421	0.60	OC(C(C=CC1C2CCC(CC2)C1)=O)=O
MCULE-9917637884	0.60	[C@]12(CO)CC[C@@H](CC1=CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)O
MCULE-1067283755	0.60	C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-6409888378	0.60	C1[C@]2([H])[C@@](C(O)=O)(CC[C@]3(C)C2=CC[C@@]2([H])[C@@]3(C)CC[C@]3([H])[C@]2(C)CC[C@H](O)[C@]3(CO)C)CCC1(C)C
MCULE-5685325143	0.60	C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CCC2C(CO)=O)[H]
MCULE-2671029853	0.60	[C@@]12([H])CC[C@H]([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
MCULE-3886474012	0.60	FC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=O
MCULE-3475190281	0.60	BrCC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-8942246758	0.60	C1(C(O)=O)CC(=O)/C(=C(/C2CC2)\O)/C(=O)C1
MCULE-2475543698	0.60	C1(=O)C=CC2(C)C3([H])C(O)CC4(C)C(C(CO)=O)([H])CCC4([H])C3([H])CCC2=C1
MCULE-4576776987	0.60	C1(C2C3C4CC4(C4CCC(=C4CC3(CO)CCC2(C(C1)O)C)C(O)=O)C)C(C)C
MCULE-4184427131	0.60	C1C(C)(C)C(O)(/C=C/C(=O)C)C(C)=CC1=O
MCULE-1531956184	0.60	C12C[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2
MCULE-2170508823	0.60	C12C3C4C5C1C(C1C5C(C4CC3CC(O)=O)CC1CC(O)=O)C=C2
MCULE-4980717954	0.60	C1CC(C)(CC(O)=O)C(C)(CC(=O)O)CC=1
MCULE-7110535304	0.60	C(O)(C)(CC(O)CC(O)(C)C)C1C2(C(C3C(C4(C(CC(C(C4)O)O)C(=O)C=3)C)CC2)(O)CC1)C
MCULE-4046520863	0.60	[C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)CC(O)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
MCULE-6545949250	0.60	CC(C(O)=O)=C1C(C2CC2)CCCC1
MCULE-9454333017	0.60	[C@]12(C)CCC(C(Cl)=C1CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)=O
MCULE-9033140847	0.60	[C@@]12(C)[C@](O)(CCC1C1C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)C#N
MCULE-1018439007	0.60	C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4Cl)([H])[C@]1([H])CC[C@@H]2O
MCULE-1927231914	0.60	C/C(/C(O)=O)=C1\CCC2(CC2)CC\1
MCULE-1202438669	0.60	C1C=CCCC(C(O)=O)CC1
MCULE-4339982355	0.60	CC[C@@]12[C@](O)(C#C)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1C(=C)C2)CCC(=O)C=3
MCULE-8305742317	0.60	CCC12C(C#C)(O)CCC1C1CCC3C(C1C(=C)C2)CCC(=O)C=3
MCULE-6566332427	0.60	C12=CC[C@]3(C(CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
MCULE-1872459490	0.60	C(C[C@@]1(/C(/CC[C@@]2([H])[C@]3(C)CC[C@]([H])([C@@H](CC/C=C(\C)/C(=O)O)C)[C@@]3(C)CC[C@]21C)=C(\C(O)=O)/C)[H])C(O)=O
MCULE-7547377444	0.60	[C@]12(C)CC[C@@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(Br)[C@]2(O)C(C)=O)[H]
MCULE-1900386533	0.60	C1[C@]2([H])[C@@]3([H])C(=C)C[C@@]4(CC)[C@@]([H])(CC[C@]4(C#C)O)[C@]3([H])CCC2=CC(=O)C1
MCULE-3987885076	0.60	C12=CC[C@]3([C@@H](CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
MCULE-4002345426	0.60	C1(CCCC(=CCC2C(C)(CCC2C(=C)C)CC1)C)C(=O)O
MCULE-1658645050	0.60	C1CC2=CC([C@](O)(C[C@]2(C)[C@H]([C@@H]1O)C)C(=C)C)=O
MCULE-8386752633	0.60	O=C1CCC2(C)C3C(C4CCC(C4(C)C(C=3)=O)C(OC)=O)CCC2([H])C1
MCULE-6442886842	0.60	O=C1CCC2(C)C3CCC4(C)C5C(C)C6(CCC(C)CN6C5CC4C3CCC2=C1)[H]
MCULE-6413909495	0.60	CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
MCULE-7321936729	0.60	CC(C(O)=O)=C1C2(CCCCC2)CC1
MCULE-3105869935	0.60	CC(/C=C1\CCC(F)(F)CC\1)=O
MCULE-8464956672	0.60	[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OCC)=O
MCULE-7676675543	0.60	C1(C)(C)CC(C(C)=C(N)C1)=O
MCULE-8239765173	0.60	[C@]12(C)CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
MCULE-7933835085	0.60	[C@@]12(C)[C@](O)(CCC1C1C(C(O)C2)[C@@]2(C)CCC(C=C2CC1)=O)C#N
MCULE-3985606919	0.60	[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C(=O)O)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)C

---