SANC00440 (+)-trans-Ozic acid




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-5844706578 1 C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@@](C(O)=O)(C)C1
MCULE-3556948980 1 C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@](C(O)=O)(C)C1
MolPort-039-338-334 1 C\C(C=C)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O
MolPort-029-887-059 1 C\C(C=C)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O
MCULE-3788851533 0.88 [C@]12(C)CCC[C@@](C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
MCULE-3588534045 0.88 C12(C)CCCC(C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
MolPort-002-511-643 0.88 CC(C)C1=CCC2C(CCC3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1
MolPort-045-901-862 0.88 CC(C)C1=CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1
MolPort-046-689-149 0.87 CCCCC\C=C\C=C\CCCCCCCCC(O)=O
MolPort-009-018-862 0.87 CCCCCC\C=C\C=C/CCCCCCCC(O)=O
MolPort-006-169-924 0.87 CCCCC\C=C/C=C/CCCCCCCCC(O)=O
MolPort-009-018-846 0.87 CCCCC\C=C/C=C\CCCCCCCCC(O)=O
MolPort-002-526-712 0.85 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2=CC=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-044-561-305 0.83 CCCCC\C=C/C=C/C=C\CCCCCCC(O)=O
MolPort-039-139-043 0.83 CCCC\C=C\C=C\C=C/CCCCCCCC(O)=O
MolPort-006-111-740 0.83 CCCC\C=C\C=C\C=C\CCCCCCCC(O)=O
MCULE-9085462824 0.81 OC(C1C(CC2CC=CC2)CCCC1)=O
MCULE-2562092030 0.81 C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@](CO)(C)C1
MolPort-035-706-545 0.81 C\C(C=C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C
MCULE-6354515204 0.80 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-039-338-149 0.80 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-035-683-013 0.79 OC(=O)C1C2CC\C=C/CC\C=C/CCC12
MolPort-002-134-879 0.79 OC(=O)C1C2CC\C=C\CC\C=C/CCC12
MCULE-6685866242 0.79 C(C(=O)O)CCCCCCC(O)/C=C/C=C/CCCCC
MolPort-038-948-537 0.79 CCCCC=C1CCC(CC(O)=O)CC1
MolPort-038-948-469 0.79 CCC=CC1CCC(CC1)C(O)=O
MolPort-001-740-393 0.79 CCCCC\C=C\C=C\C(O)CCCCCCCC(O)=O
MolPort-006-668-454 0.79 CCCCCC(=O)\C=C\C=C/CCCCCCCC(O)=O
MolPort-046-788-529 0.79 CC(=O)\C=C\C=C\CCCCCCC(O)=O
MolPort-044-561-076 0.79 CCCCC\C=C\C=C\C(=O)CCCCCCCC(O)=O
MolPort-005-944-603 0.79 CCCCCC\C=C/C=C/C(O)CCCCCCC(O)=O
MolPort-001-740-913 0.78 C[C@@]1(CCC2C(C1)=CCC1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MolPort-039-338-320 0.78 C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
MCULE-1438242882 0.78 C(O)(=O)C[C@@](CC/C=C(/C)\C)(C)[H]
MCULE-3455137708 0.78 C(O)(CC(C)CC/C=C(/C)\C)=O
MolPort-001-792-025 0.78 CC(CCC=C(C)C)CC(O)=O
MolPort-003-930-561 0.78 C[C@H](CCC=C(C)C)CC(O)=O
MolPort-002-507-350 0.77 CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
MolPort-028-606-852 0.77 CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C([O-])=O)C2CC1
MolPort-035-683-228 0.77 CC(C)C1=CC2=CCC3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
MolPort-023-221-456 0.77 CC(C)C1=CC2=CCC3[C@](C)(CCC[C@]3(C)C(O)=O)[C@@H]2CC1
MolPort-001-781-437 0.77 CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(O)=O)C2CC1
MCULE-6641232569 0.77 CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
MCULE-1755461261 0.77 [C@]1(C)(CCC(=O)O)C2CC[C@]3([H])[C@@]([H])([C@@](O)(CC/C=C(\C)/C)C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(=C)C
MCULE-1670830332 0.77 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-6441405293 0.77 OC(C1(CC2C(C2)C1)CC1CC=CC1)=O
MCULE-9038165616 0.77 CC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-4778256781 0.77 C(O)(=O)CC[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(C)=C
MolPort-046-153-098 0.77 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CCC1[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]21C)C(C)=C
MolPort-020-005-730 0.77 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-044-727-744 0.76 CCCCCC\C=C\CCCCCCCCC(O)=O
MolPort-028-747-803 0.76 CCCCCCC=CCCCCCCCC(O)=O
MolPort-003-849-687 0.76 CCCCCCCCC=CCCCCCCCC(O)=O
MolPort-001-740-137 0.76 CCCCCC\C=C/CCCCCCCC(O)=O
MolPort-039-010-546 0.76 OC(=O)CCCCCCCC=CCCCCCCCC(O)=O
MolPort-001-788-274 0.76 CCCCCCCC\C=C/CCCCCCCC(O)=O
MolPort-006-169-615 0.76 CCCCCC\C=C\CCCCCCCC(O)=O
MolPort-001-780-043 0.76 CCCCCCCC\C=C\CCCCCCCCCCCC(O)=O
MolPort-006-112-294 0.76 CCCCCC\C=C\CCCCCCCCCC(O)=O
MolPort-028-747-855 0.76 CCCCCCCCC=CCCCCCCCCCCCC(O)=O
MolPort-044-727-743 0.76 CCCC\C=C\CCCCCCCCC(O)=O
MolPort-003-959-025 0.76 CCCCCCCC\C=C/CCCCCCCCC(O)=O
MolPort-003-941-268 0.76 CCCCCC\C=C/CCCCCCCCCCCC(O)=O
MolPort-035-882-134 0.76 CCCC\C=C/CCCCCCCCC(O)=O
MolPort-003-941-733 0.76 CCCCCC\C=C/CCCCCCCCC(O)=O
MolPort-023-332-220 0.76 OC(=O)CCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-046-426-229 0.76 CCCCCCCCCCC\C=C/CCCCCCC(O)=O
MolPort-046-426-181 0.76 CCCCCCCCCCC\C=C\CCCCC(O)=O
MolPort-003-958-761 0.76 CCCC\C=C\CCCCCCCC(O)=O
MolPort-003-958-711 0.76 CCCC\C=C/CCCCCCCC(O)=O
MolPort-003-959-363 0.76 CCCCCCCCCCC\C=C/CCCCC(O)=O
MolPort-003-939-503 0.76 CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O
MolPort-003-959-881 0.76 CCCCCC\C=C/CCCCCCCCCC(O)=O
MolPort-001-739-604 0.76 CC(C)CCCCCC\C=C/CCCCC(O)=O
MolPort-000-882-023 0.76 CCCCCCCC\C=C\CCCCCCCC(O)=O
MolPort-009-019-234 0.76 CCCCC\C=C/CCCCCCCCCCCCC(O)=O
MolPort-003-925-831 0.76 CCCCCCCC\C=C\CCCCCCCCCC(O)=O
MolPort-009-019-050 0.76 CCCCCCCC\C=C/CCCCCC(O)=O
MolPort-046-763-123 0.76 CCCC\C=C/CCCCCCCCCC(O)=O
MolPort-009-019-440 0.76 CCCCC\C=C/CCCC\C=C/CCCCCCC(O)=O
MolPort-003-933-468 0.76 CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O
MolPort-003-933-186 0.76 CCCCCCCC\C=C/CCCCCCCCCC(O)=O
MolPort-021-804-454 0.76 CCC(C)CCCCC\C=C/CCCCC(O)=O
MolPort-021-804-810 0.76 CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
MCULE-3005532858 0.76 OC(C1(CCC1)CC1CC=CC1)=O
MCULE-7702176615 0.76 CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
MCULE-6044533117 0.76 OC(CCCCCCC/C=C\CCCCCCCC)=O
MCULE-3248745724 0.76 C(CCCCCCCC)=CCCCCCCCCCCCC(=O)O
MCULE-9547538729 0.76 CCCCCCCCC=CCCCCCCCC(O)=O
MCULE-2896292130 0.76 OC(C1(CC1)CC1CC=CC1)=O
MCULE-4596209637 0.76 CC1CC(C(O)=O)(CC2CC=CC2)CC1
MCULE-8191255112 0.76 CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
MCULE-8798348917 0.76 C(CCCCCCC(=O)O)CCCCCC/C=C\CCCCCCCC
MCULE-3553508294 0.76 OC(C1C(CC2CC=CC2)CC1)=O
MCULE-7761893081 0.76 C(CCCCCC(=O)O)CC/C=C\CCCCCCCC
MCULE-6884173238 0.76 CC1C(C(O)=O)(CC2CC=CC2)CCC1
MCULE-3046418352 0.76 CCCCCCCC/C=C/CCCCCCCC(=O)O
MCULE-7592205580 0.76 C(/CCCCCC(C)CC)=C/CCCCC(O)=O
MCULE-9914820446 0.76 C(/CCCCCCC(C)C)=C/CCCCC(O)=O
MCULE-1046270451 0.76 OC(CCCCCCCC=CCCCCCCCC(=O)O)=O
MCULE-5077473579 0.76 C(CCCCCCC(=O)O)CCCC/C=C\CCCCCC
MCULE-8054022250 0.76 C(CCCCCCCCC=CCCCCCC)(O)=O
MCULE-8824898935 0.76 C(CC(C(C)C)/C=C/C(=C)CCC(=O)O)C(=O)C
MolPort-039-339-168 0.76 CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
MolPort-039-338-562 0.76 CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
MolPort-046-793-096 0.76 CC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-690-128 0.76 CC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C
MolPort-035-706-341 0.75 C[C@H](CCC=C(C)C)[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-005-944-674 0.75 CCCCCCCCC(=O)\C=C\C=C\C(=O)CCCC(O)=O
MCULE-3541967763 0.75 [C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
MolPort-023-298-927 0.75 CCC(=O)\C=C\C=C\C=C\C(=O)CCCCCCCC(O)=O
MCULE-1190191150 0.75 OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
MolPort-035-706-317 0.75 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
MCULE-4790948193 0.75 OC(=O)CCCCCCCC(/C=C/C=C/C=C/C(=O)CC)=O
MolPort-046-594-326 0.74 CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
MolPort-023-220-689 0.74 C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
MolPort-035-706-224 0.74 CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
MolPort-044-723-428 0.74 [Na+].CCCCCCCCC=CCCCCCCCC([O-])=O
MolPort-006-111-035 0.74 [K+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-006-118-208 0.74 [Na+].CCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-028-962-365 0.74 CC(O)CO.CCCCCCCC\C=C/CCCCCCCC(O)=O
MolPort-044-831-841 0.74 OC(=O)CC1CCC=CCC1
MolPort-006-111-036 0.74 [Na+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
MolPort-046-788-533 0.74 CC(C)=CCCC(C)(O)C1CC[C@]2(C)C1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-046-153-713 0.74 CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-006-116-655 0.74 [Bi+3].CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O
MCULE-9853941800 0.74 CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
MCULE-2582517969 0.74 C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C
MCULE-3222494622 0.74 C12CCC3C(C3CCC=CCCC1C2C(O)=O)C(O)=O
MCULE-2893862044 0.74 [Na+].C(CCCCCC([O-])=O)CC=CCCCCCCCC
MCULE-1248316974 0.74 C/C(/C)=C/CCC1(CCC(=O)CC1)O
MCULE-2611969931 0.74 [C@@H]1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-6262778979 0.74 OC1(C(CC2CC=CC2)=O)CCCCC1
MCULE-2467601128 0.74 C1(CCCCCCCCCCCCC(=O)O)C=CCC1
MCULE-1068095495 0.74 OC1(CCC(=O)CC1)CC1CC=CC1
MCULE-4188975486 0.74 O=C(CCCCCCCC=CCCCCCCCC)[O-].[K+]
MCULE-9234552398 0.74 C1/C(/C(CC[C@@H]1O)=C)=C/C=C1\CCC[C@]2(C)[C@@H]([C@@H](CC(=O)O)C)CC[C@]2\1[H]
MCULE-1875219399 0.74 C1/C(/C(CC[C@@H]1O)=C)=C/C=C1/[C@]2([H])CC[C@H]([C@@H](C(=O)O)C)[C@@]2(C)CCC/1
MCULE-9153738942 0.74 C(CCCCC=CC(C)C)(O)=O
MolPort-003-698-717 0.74 CC(C)\C=C/CCCCC(O)=O
MolPort-001-764-454 0.74 CC(C)\C=C\CCCCC(O)=O
MolPort-039-338-146 0.73 C[C@H](CC[C@H](O)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-046-153-162 0.73 CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
MolPort-046-141-505 0.73 OC(=O)C1CC2CC=CC(C2)C1
MolPort-006-069-138 0.73 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-046-594-431 0.73 CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
MolPort-001-742-271 0.73 C\C(CC[C@H]1[C@](C)(O)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O)=C\CO
MolPort-028-754-126 0.73 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-006-069-379 0.73 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
MolPort-016-633-333 0.73 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-038-386-024 0.73 CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
MolPort-039-052-462 0.73 C\C(CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O)=C/CO
MolPort-039-338-325 0.73 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-038-386-525 0.73 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-016-633-342 0.73 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-038-941-702 0.73 C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
MolPort-005-945-090 0.73 C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C\CO
MCULE-6713995732 0.73 C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C3=CCC2C(C)(C)C1=O
MCULE-2817082882 0.73 C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/CO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
MCULE-7147126046 0.73 C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
MCULE-4851646103 0.73 CC1CCC(C2(C(O)=O)CC=CC2)CC1
MCULE-9341616847 0.73 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-4504483614 0.73 C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
MCULE-3664047551 0.73 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-5267198059 0.73 OC(C1(CC=CC1)CC1CCCCC1)=O
MCULE-8056155072 0.73 C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O
MCULE-5025931577 0.73 C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
MCULE-8500547238 0.73 CC1CC(C2(C(O)=O)CC=CC2)CCC1
MCULE-5384515579 0.73 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-1085165933 0.73 [C@]12(C)CCC[C@](C)(C(=O)O)[C@]1([H])CCC(=C)[C@@H]2CCC(C)=CCO
MCULE-5327458615 0.73 CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
MCULE-9513706661 0.73 C1CC2(C(CCC(C2CC/C(=C\CO)/C)=C)C(C1)(C(=O)O)C)C
MCULE-1283574747 0.73 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-6424725551 0.73 C1C[C@@](C2CC[C@](C)([C@@H]([C@@]2(C)C1)CC/C(/C)=C\CO)O)(C(O)=O)C
MCULE-8629297693 0.73 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-5113003290 0.73 OC(C1CC2CC(CC=C2)C1)=O
MCULE-2411412323 0.73 C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(=C)C1)C3)C
MCULE-2705141143 0.73 [C@@]12(C)[C@@H](C)CCCC1=CC[C@H](C2)C(=C)C(O)=O
MCULE-1918074338 0.73 C(C(=O)O)C[C@]1(C)C2=CC[C@@]3(C(=O)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C
MolPort-001-740-226 0.73 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC=C21)C(=C)C3)C(O)=O
MolPort-046-196-011 0.73 [Fe++].[CH-]1C=CC=C1.OC(=O)CCC(=O)[C-]1C=CC=C1
MolPort-035-706-314 0.73 CC(=C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C(=O)CC[C@@]23C)[C@@]1(C)CCC(O)=O
MolPort-001-742-389 0.73 C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(O)=O
MolPort-044-754-112 0.73 C[C@@H](O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C
MolPort-042-675-485 0.73 OC\C=C\CCCCCCCC(O)=O
MolPort-046-589-760 0.73 CCCCCCCC\C=C/CCCCCCC(O)C(O)=O
MolPort-003-663-637 0.73 OC(=O)C1CCC\C=C/CC1
MolPort-039-338-287 0.73 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-027-640-984 0.72 CCCCC\C=C/C=C1\[C@@H](C\C=C/CCCC(O)=O)CCC1=O
MolPort-029-943-094 0.72 CC(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)CC(O)=O
MolPort-035-705-910 0.72 C[C@@H](CCO)CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O
MolPort-001-742-582 0.72 CC(CCO)CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(O)=O
MCULE-7270634760 0.72 OC(C1C(CC2CC=CCC2)CC1)=O
MCULE-6935719222 0.72 OC(C1C(CC2CC=CCC2)CCC1)=O
MCULE-4002345426 0.72 C1(CCCC(=CCC2C(C)(CCC2C(=C)C)CC1)C)C(=O)O
MCULE-1528374574 0.72 OC(C1(CCC1)CC1CC=CCC1)=O
MCULE-1202438669 0.72 C1C=CCCC(C(O)=O)CC1
MCULE-2170508823 0.72 C12C3C4C5C1C(C1C5C(C4CC3CC(O)=O)CC1CC(O)=O)C=C2
MCULE-1183560917 0.72 C1(=O)C[C@@]2([C@]([H])(C/C/1=C(\C)/C)[C@@]2([H])CC[C@H](O)C)C
MCULE-7053911643 0.72 C(O)(=O)CC1C(CC=CC)CC(C1)=O
MCULE-5859140606 0.72 CC1CC(C(O)=O)(CC2CC=CCC2)C1
MCULE-7417377682 0.72 OC(C1(CC1)CC1CC=CCC1)=O
MCULE-6413909495 0.72 CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
MCULE-4393909687 0.72 C1CC2(C)C(CCC(C)CC(=O)O)C(=C)CCC2C(C)(C(=O)O)C1
MCULE-4713145304 0.72 C1C[C@]2(C)[C@@]([H])(CC[C@@H](C)CCO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
MCULE-8330160340 0.72 [C@@]12(C)CCC[C@@](C)(C(O)=O)[C@@]1([H])CCC(=C)[C@H]2CCC(C)CCO
MCULE-7009109930 0.72 C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)CO)C)CCC4(C)C3=CCC2C(C)(C)C1=O
MolPort-009-019-140 0.72 CCCC\C=C\C=C/C=C/CCCCCCCC(=O)OC
MolPort-044-723-229 0.72 C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-046-153-161 0.72 CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
MolPort-039-052-516 0.72 C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-044-637-461 0.71 CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
MolPort-044-727-594 0.71 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-044-723-335 0.71 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-005-945-680 0.71 CC12CCCC(C)(C1CCC(=C)C2CC\C(CO)=C/CO)C(O)=O
MolPort-039-338-736 0.71 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-039-339-207 0.71 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-042-624-137 0.71 C\C=C1/[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H]2C1=O)[C@H](C)CCC(O)=O
MolPort-001-742-404 0.71 C[C@@]1(CCC2C(CCC3C2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
MolPort-006-668-475 0.71 CC1(CCC2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
MolPort-044-637-537 0.71 CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O
MolPort-044-637-536 0.71 CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O
MolPort-039-338-507 0.71 CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C)C(O)=O
MolPort-003-873-328 0.71 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 0.71 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-046-153-807 0.71 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-008-427-020 0.71 CC1(CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1)C=C
MolPort-046-509-001 0.71 CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C)C(O)=O
MolPort-035-706-391 0.71 CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(O)=O
MolPort-046-688-727 0.71 C\C(C=C)=C\C[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C
MCULE-4428892848 0.71 C1CCC2(C)C3CCC(C=C)(C)C=C3CCC2C1(C(=O)O)C
MCULE-6649773698 0.71 C1CC2(C(CCC(C2CC/C(=C\CO)/CO)=C)C(C(O)=O)(C)C1)C
MCULE-5541619791 0.71 [C@]12(C)CCC[C@@](C)(C(O)=O)[C@]1([H])CCC1=C[C@@](CC[C@]12[H])(C)C=C
MCULE-6190365385 0.71 C(O)(CC1(C)C(CC(O)=O)(CC=C2C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12)[H])=O
MCULE-9840181952 0.71 C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@@](C(=O)O)(C)C1
MCULE-5733786329 0.71 C(C(=O)O)C[C@]1(C)C2=CC[C@]3(C)[C@@]([H])([C@H](C(=O)O)CC/C=C(/C)\C)[C@H](O)C[C@@]3(C)C2=CC[C@@]1([H])C(=C)C
MCULE-8928261768 0.71 C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@](C(=O)O)(C)C1
MCULE-9024921933 0.71 OC(C(CC1C2C=CC(CC2)C1)=O)=O
MCULE-3655330509 0.71 OC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-5339139192 0.71 [C@@]1(C(C)=C)([H])CC=C2[C@]3(C)C[C@@H](O)[C@H]([C@@H](CCC(=C)C(C)C)C(O)=O)[C@@]3(C)CC=C2[C@]1(CCC(=O)O)C
MCULE-4320729921 0.71 C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
MCULE-9036760572 0.71 [C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)O
MCULE-6401226702 0.71 CC=CC(C1(CCCCC1)O)=O
MCULE-2546809155 0.71 CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
MCULE-5225374056 0.71 CC(C(CC1C2C=CC(CC2)C1)=O)O
MCULE-5453524094 0.71 OC(C1CC(CC2CC=CC2)(O)C1)=O
MCULE-4926555419 0.71 C1C(C)C(C(O)=O)/C(=C(/C)\C)/C1
MCULE-7136534003 0.71 CC=CCC1(C(O)=O)CC2(CCC2)C1
MCULE-3490312737 0.71 C/C(/C)=C\CC1(C(O)=O)CC2(CCC2)C1
MCULE-9156595873 0.71 C(CCCCC)C(O)CC=CCCCCCCCC(=O)O
MCULE-8991093142 0.71 OC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
MolPort-046-765-905 0.71 OC(=O)CCCCCCC\C=C/CC=O
MolPort-006-168-732 0.71 CCCCCCC(O)C\C=C\CCCCCCCC(O)=O
MolPort-003-939-239 0.71 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O
MolPort-039-338-445 0.71 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-044-727-745 0.71 CCCCCC[C@@H](O)C\C=C\CCCCCCCC(O)=O
MolPort-038-386-725 0.70 CCC\C=C\C=C\C(CCC(O)=O)CC(O)=O
MolPort-046-596-366 0.70 CC(=O)[C@@]1(O)CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-176-715 0.70 CC(=O)C1(O)CCC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-510-100 0.70 CC(=O)[C@@]1(O)CCC2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-035-706-395 0.70 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MCULE-7399965638 0.70 CCC/C=C/C=C/C(CC(O)=O)CCC(=O)O
MCULE-2445362476 0.70 C12=CC(CCC1(C)C1C(C3CCC(O)(C(C)=O)C3(CC1)C)CC2=C)=O
MCULE-8838919541 0.70 OC1(C(CC2CC=CC2)=O)CCCC1
MCULE-9852233406 0.70 OC(C(CC1CC=CC1)=O)=O
MCULE-9474095410 0.70 [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-9335086572 0.70 CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
MCULE-6217200752 0.70 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-3143886740 0.70 C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-6367656540 0.70 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-9571611941 0.70 OC(C1(CC=CC1)CC1CC2C(C2)C1)=O
MCULE-5064546197 0.70 [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-7088367969 0.70 [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-8045386580 0.70 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-7510220469 0.70 C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(=C1)CO)C
MCULE-2451101251 0.70 C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
MCULE-1308336736 0.70 C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C(C(O)CC[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)C(C)C21)C(O)=O)[H]
MCULE-6888052424 0.70 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-5111117747 0.70 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
MolPort-002-525-147 0.70 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-027-835-590 0.70 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-001-736-568 0.70 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
MolPort-002-507-280 0.70 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-001-740-468 0.70 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-039-338-968 0.70 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-003-983-927 0.70 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-039-338-864 0.70 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-003-939-637 0.70 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-044-193-919 0.70 CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O
MolPort-020-005-912 0.70 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-001-741-050 0.70 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-008-430-076 0.70 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-035-784-288 0.70 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-004-955-261 0.70 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-000-729-105 0.70 CC1(C)CCC2(CC[C@]3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
MolPort-027-834-998 0.70 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-035-706-406 0.70 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-021-804-631 0.70 CC1(CCCC2(C)C1CCC13CC(CO)C(C1)CC=C23)C(O)=O
MolPort-002-514-284 0.70 CC(C)C1=C[C@@]23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
MolPort-002-507-433 0.70 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-039-052-704 0.70 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-007-980-916 0.70 CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
MolPort-002-534-996 0.70 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-001-740-955 0.70 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(O)=O
MolPort-046-790-504 0.70 CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
MolPort-023-213-100 0.69 CC(=C)CCCCC(O)=O
MolPort-002-507-392 0.69 OC(=O)CCCCCCCCC=C
MolPort-035-706-318 0.69 CC1(C)[C@@H](O)CC[C@]2(C)[C@@H](CC[C@H]3C(=O)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)C(=C)CC[C@@H]12
MolPort-023-213-092 0.69 OC(=O)CCCCCC=C
MolPort-028-746-650 0.69 OC(=O)CCCCCCCCCCCCC=C
MolPort-023-213-102 0.69 CC(=C)CCCCCCC(O)=O
MolPort-023-213-093 0.69 OC(=O)CCCCCCC=C
MolPort-023-213-101 0.69 CC(=C)CCCCCC(O)=O
MolPort-002-894-354 0.69 OC(=O)CCCCCCCC(=O)CCCCCCCCC=C
MolPort-006-069-065 0.69 OC(=O)CCCCCCCCCC=C
MolPort-000-153-810 0.69 OC(=O)CCCCCCCC=C
MolPort-039-338-508 0.69 CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
MolPort-039-338-563 0.69 CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
MolPort-046-688-988 0.69 C[C@H](CC(O)=O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C
MolPort-039-339-024 0.69 CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
MolPort-039-338-560 0.69 CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
MolPort-046-683-522 0.69 CCCCC\C=C\C\C=C\C\C=C\C\C=C/CCCCCC(O)=O
MolPort-001-788-459 0.69 CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
MolPort-003-941-261 0.69 CCCCC\C=C\C\C=C\CCCCCCCCCC(O)=O
MolPort-003-937-817 0.69 CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
MolPort-003-941-054 0.69 CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
MolPort-039-338-737 0.69 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-027-641-365 0.69 [2H]\C(CCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCCCCC(O)=O
MolPort-044-727-764 0.69 CCCCC\C=C/C\C=C/CCCCCCCCCCC(O)=O
MolPort-009-018-939 0.69 [2H]C([2H])([2H])C([2H])([2H])\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
MolPort-001-780-227 0.69 CCCCC\C=C\C\C=C\CCCCCCCC(O)=O
MolPort-003-933-184 0.69 CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O
MolPort-044-724-154 0.69 CCCCCC=CCC=CCCCCCCCC(O)=O
MolPort-001-740-230 0.69 CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O
MolPort-006-113-817 0.69 CCC=CCC=CCC=CCCCCCCCC(O)=O
MolPort-003-940-987 0.69 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
MolPort-035-706-537 0.69 CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C(=O)C1
MolPort-035-882-164 0.69 CCCCC\C=C/C\C=C/CCCCCCCCCCCC(O)=O
MolPort-035-706-538 0.69 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
MCULE-7928135942 0.69 C(CCCCCCCCC=C)(O)=O
MCULE-6571932731 0.69 C=CCCCCCC(=O)O
MCULE-2837812117 0.69 C=C(C)CCCCC(=O)O
MCULE-6091105789 0.69 C=C(CCCCCC(=O)O)C
MCULE-1403801057 0.69 C(CCCCCC(=O)O)CCCCCCC=C
MCULE-7974840074 0.69 C(CCCCCCCCC(CCCCCC(O)=O)=O)=C
MCULE-6863504457 0.69 O=C(CCCCC(O)=O)CCCCCCCCC=C
MCULE-9714012387 0.69 C(CCCCCCC(=O)O)C(=O)CCCCCCCCC=C
MCULE-3892173219 0.69 C(CCCCCCCC=C)(O)=O
MCULE-1541926426 0.69 C1C[C@]2(C)C3=CC[C@@]4([C@@]([C@@H](C[C@@]4(C)C3=CC[C@@]2([H])C([C@H]1O)(C)C)O)([H])[C@H](C(O)=O)CCC(=C)C(C)C)C
MCULE-5964682653 0.69 C1/C(/C([C@@H](O)C[C@@H]1O)=C)=C/C=C1\CCC[C@]2(C)[C@@H]([C@@H](CC(=O)O)C)CC[C@]2\1[H]
MCULE-9335291007 0.69 CC1(C(=O)CC[C@@]2(C)[C@H]1CC=C1[C@@]3(C)[C@]([C@H]([C@@H](C3)O)[C@H](C(=O)O)CCC(C(C)C)=C)(C)CC=C12)C
MCULE-3459478440 0.69 CC(C(CC1CC=CC1)=O)(O)C
MCULE-4653646367 0.69 C(CCCCCCCC=CCC=CCCCCC)(O)=O
MCULE-6215916748 0.69 OC(C1(CC=CC1)CC1CC1)=O
MCULE-6540776662 0.69 CC1(CCC1)CC1(C(O)=O)CC=CC1
MCULE-6852628228 0.69 OC(C1(CC=CC1)CC1CCC1)=O
MCULE-5820761773 0.69 OC(C1(C2CCCCCC2)CC=CC1)=O
MCULE-1893075589 0.69 CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
MCULE-8042162865 0.69 C(CCCCCCCC=CCC=CCC=CCC)(O)=O
MCULE-4248274366 0.69 OC(C1(CC=CC1)CC1CCCC1)=O
MCULE-9082869288 0.69 CCCCC/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(/[H])\CCCCCC(O)=O
MCULE-6594867113 0.69 CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
MCULE-5702475533 0.69 C12(CCC(C1(C)C)(C([H])=C([H])C13CCC(C1(C)C)(C(O)=O)C3)C2)C(O)=O
MCULE-4209942909 0.69 C(/C=C\C/C=C\C/C=C\CC)CCCCCCCCCCC(=O)O
MCULE-3699449483 0.69 OC(C1(C2CCC2)CC=CC1)=O
MCULE-9671518710 0.69 C(CCCCCCC/C=C/C/C=C/CCCCC)(O)=O
MCULE-9405390567 0.69 C(CCCCCCC(=O)O)CC/C=C/C/C=C/CCCCC
MCULE-6699414453 0.69 CC1(CCCC1)CC1(C(O)=O)CC=CC1
MCULE-2795374734 0.69 OC(C1(C2CCCC2)CC=CC1)=O
MCULE-1509278335 0.69 [C@H]1(C(=C)C(=O)O)CC=C(CCC(=O)C)[C@@H](C)CC1
MolPort-035-706-174 0.69 C[C@H]1CC[C@H](CC=C1CCC(C)=O)C(=C)C(O)=O
MolPort-028-745-366 0.69 CC(C)=CCCC1=CCC(CC1)C(O)=O
MolPort-046-761-060 0.69 CCCCCC(O)\C=C\C=C/CCCCCCCC(=O)OC
MolPort-001-740-430 0.69 CC\C=C/C\C=C/C=C/[C@H](O)CCCCCCCC(O)=O
MolPort-039-138-868 0.69 CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(=O)OC
MolPort-009-018-238 0.69 CCCCC\C=C\C=C1/C=CC(=O)C1CCCCCCC(O)=O
MolPort-046-774-180 0.68 OC(=O)C1(CCCCC1)C=C
MolPort-009-196-248 0.68 OC(=O)C1CCC(=C)CC1
MolPort-001-740-928 0.68 C[C@@]12CCC[C@](C)(C1CCC13CC(CCC21)C(=C)C3)C(O)=O
MolPort-044-657-110 0.68 OC(=O)CC1(CCCCC1)C=C
MolPort-022-371-002 0.68 OC(=O)C1(CC=C)CCCCC1
MolPort-044-723-330 0.68 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3)C(O)=O
MolPort-039-052-710 0.68 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)C3)C(O)=O
MolPort-038-386-720 0.68 CC1(C)CCCC2(C)C1CCC1(C)C(CC(O)=O)C(=C)CCC21
MolPort-002-511-094 0.68 C\C=C\C=C\CCCCCCCO
MolPort-046-508-765 0.68 OC(=O)C[C@H]1CCC=CC1
MolPort-022-366-503 0.68 OC(=O)CC1CCC=CC1
MolPort-019-937-078 0.68 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-002-524-878 0.68 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-021-783-255 0.68 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-019-937-217 0.68 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-035-706-386 0.68 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-002-509-462 0.68 C[C@@H]([C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
MolPort-028-599-905 0.68 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-006-394-338 0.68 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-038-386-656 0.68 CC1C(CCC(O)=O)C2CCCCC2=CC1=O
MolPort-002-510-407 0.68 C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-038-386-610 0.68 C\C(CO)=C/CCC(CO)C1CCC2(C)C3CCC(C(=C)CO)C4(CCC(O)=O)CC34CCC12C
MolPort-035-785-285 0.68 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-035-706-388 0.68 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-035-706-389 0.68 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-020-005-953 0.68 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-035-706-450 0.68 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-035-706-339 0.68 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-005-944-708 0.68 C[C@]12CCC[C@](C)(C1CCC1=CC(=O)CCC21)C(O)=O
MolPort-002-506-868 0.68 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-044-183-134 0.68 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-046-762-885 0.68 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-006-111-348 0.68 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-001-740-351 0.68 CC(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-001-785-925 0.68 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(O)=O
MolPort-039-338-353 0.68 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-001-740-352 0.68 C[C@@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-039-338-313 0.68 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(CO)=C3)C(O)=O
MolPort-039-338-398 0.68 C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O
MolPort-042-675-461 0.68 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-001-740-467 0.68 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-002-176-718 0.68 CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-044-649-711 0.68 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-046-596-323 0.68 CC(C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
MolPort-001-741-051 0.68 C[C@]12CCC[C@@](C)(C1CCC13CC(CCC21)C(CO)=C3)C(O)=O
MolPort-001-742-304 0.68 CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O
MolPort-001-741-118 0.68 C[C@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
MolPort-001-742-412 0.68 CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O
MolPort-046-596-232 0.68 CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-021-804-809 0.68 CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
MolPort-006-110-824 0.68 COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
MCULE-3259621922 0.68 C(O)(CC1CCCC(=C)C1)=O
MCULE-5968711412 0.68 C(=CC)C=CCCCCCCCO
MCULE-4640003531 0.68 C1C[C@@]2(C)C3C4(CCC2[C@@](C(O)=O)(C)C1)CC(=C)C(CC3)C4
MCULE-3300513366 0.68 C1(=C)[C@@H]2C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(O)=O)[C@@H]3CC2)C1
MCULE-7490068037 0.68 C1(=C)C2CCCC1CC(C(O)=O)C2
MCULE-3174021569 0.68 OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
MCULE-9520777832 0.68 C(O)(=O)C1CCC(CC1)=C
MCULE-6340408888 0.68 C1CC2(C)C3CCC(=C)C(CC(=O)O)C3(C)CCC2C(C)(C)C1
MCULE-5456178986 0.68 OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
MCULE-6438933973 0.68 CC(C(CC1CC=CCC1)=O)(O)C
MCULE-4980717954 0.68 C1CC(C)(CC(O)=O)C(C)(CC(=O)O)CC=1
MCULE-4275950574 0.68 [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-1602610126 0.68 CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CC=C32)CC1
MCULE-5773428311 0.68 C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
MCULE-5059257985 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)CCC(O)=O)CC3)CC=2
MCULE-1455068472 0.68 C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1
MCULE-7633761938 0.68 C(O)(C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)=O
MCULE-1780641937 0.68 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 0.68 C12C3C4C5C1C=CC5C2C4C(C(O)=O)C3C(O)=O
MCULE-5390747778 0.68 [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-2313378449 0.68 C(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-2299251979 0.68 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-9209606443 0.68 C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
MCULE-3800481886 0.68 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-6409888378 0.68 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-1067283755 0.68 C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-3614931522 0.68 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-2675118265 0.68 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-2605863241 0.68 C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
MCULE-4819154807 0.68 C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
MCULE-9211922250 0.68 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-2653535248 0.68 C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
MCULE-5683974067 0.68 C1C[C@]2(C([C@](C(O)=O)(C)C1)CCC13C2CCC(C(CO)=C1)C3)C
MCULE-2671029853 0.68 [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-8439103614 0.68 OC1C(C2(C(O)=O)CC=CC2)CCCC1
MCULE-7899364914 0.68 [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-3141539281 0.68 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
MCULE-2832089707 0.68 C1CC2(C)C3=CC(=O)C(C)(C=C)CC3CCC2C(C(=O)O)(C)C1
MCULE-2519092915 0.68 C1CCC2(C)C3CCC(C(C)C)=CC3=CCC2C1(C(=O)OC)C
MCULE-8671525222 0.68 C(CCCCCCCCC=C)(=O)[O-].[K+]
MCULE-3707649630 0.68 C(=O)(C=C)CCCCCC(=O)O
MCULE-5304256304 0.68 C(=O)(CCCC=C)CCCCCC(=O)O
MCULE-4888197133 0.68 C1(=O)CC2(C)C(CCC(C)CCO)C(=C)CCC2C(C)(C)C1
MolPort-046-647-152 0.68 OC(=O)C1CC2(C1)CC(=C)C2
MolPort-003-666-886 0.68 [Zn++].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C
MolPort-002-509-734 0.68 [K+].[O-]C(=O)CCCCCCCCC=C
MolPort-023-274-294 0.68 CC(CCO)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C
MolPort-009-019-328 0.67 CCCCC\C=C/CCCCCCC\C=C/CCCC(O)=O
MolPort-003-933-080 0.67 CCCCCC\C=C/CCCC(O)=O
MolPort-044-650-172 0.67 CCCCCCCCCCCCCC\C=C\CCCC(O)=O
MolPort-046-682-132 0.67 [Na+].CCCCC\C=C\C\C=C\CCCCCCCC([O-])=O
MolPort-007-980-847 0.67 CC(=O)C1=CCC2C3CC[C@H]4C[C@H](O)CCC4(C)C3CCC12C
MolPort-002-525-755 0.67 CC(=O)C1=CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-506-866 0.67 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-003-941-834 0.67 CC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O
MolPort-006-112-444 0.67 [Na+].CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O
MolPort-035-706-428 0.67 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-029-215-812 0.67 OC(=O)CC1CC2CC1C=C2
MolPort-044-727-656 0.67 [Na+].CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC([O-])=O
MolPort-046-691-457 0.67 CC\C=C\CC1C(CC(O)=O)CCC1=O
MolPort-044-727-658 0.67 [Na+].CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O
MolPort-016-630-900 0.67 OC(=O)C[C@@H]1C[C@H]2C[C@@H]1C=C2
MolPort-002-509-435 0.67 CC(=O)C1=CCC2[C@@H]3CC[C@H]4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-739-398 0.67 CCC\C=C\C=C\C1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO
MCULE-5368790248 0.67 C(O)(=O)[C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@]1(C)[C@@](C([C@H](CC1)O)(C)C)([H])CC3)C)(C)CC2
MCULE-4949013565 0.67 C(C1(C2=CCCCC2)CCCCC1)(O)=O
MCULE-9204788308 0.67 C12C(C)(CCCC1(C)CCC(C2)C(=C)C(O)=O)O
MCULE-1049317957 0.67 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)C(=C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-7625704416 0.67 C([C@@H](O)CCCC(=O)O)=CC=CC=C[C@H](O)CC=CCCCCC
MCULE-3066570238 0.67 C(O)(=O)[C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@]1(C)[C@@](C([C@H](CC1)O)(C)C)([H])CC3)C)(C)CC2
MCULE-9848650209 0.67 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-2275715129 0.67 C12(C)CCC3(C(C(C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
MCULE-2876144776 0.67 C12(CCC(C(C)(C)C1=C)C2)C(O)=O
MCULE-4487348024 0.67 [C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(=O)C2(C)C)C(=O)[O-]
MCULE-9000633244 0.67 OC(C=O)CC1CC=CC1
MCULE-4202565953 0.67 C1CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C(O)=O)(C)C1)C
MCULE-2125200193 0.67 [C@@]12(C)CC[C@]3([C@]([H])([C@H](C(C)=C)CC3)[C@@]1([H])CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)O)CC[C@@]21C)C)C(O)=O
MCULE-5589267581 0.67 C1CC2(C)CCC(C(=C)C(=O)O)CC2C(=C)C1O
MCULE-5549502379 0.67 C12C3CC(C=C3)C1C2C(O)=O
MCULE-7930269142 0.67 C12C(C1/C(/C1CC21)=C(\C)/C)C(O)=O
MCULE-8509022096 0.67 [C@]12(C)[C@@]([H])(CC[C@@]3(C)[C@@]4(C)C([C@@]5([H])[C@](C(=O)O)(CCC(C)(C)C5)[C@H](O)C4)=CC[C@]13[H])[C@](C)(C=O)[C@@H](O)CC2
MCULE-2632444883 0.67 C12[C@](C)(CCC[C@]1(C)CC[C@H](C2)C(=C)C(O)=O)O
MCULE-2911613762 0.67 [C@H]1(C[C@H]2C[C@@H]1C=C2)CC(O)=O
MCULE-7369936803 0.67 [C@H]1(CC=CCC)C(CC[C@@H]1CC(O)=O)=O
MCULE-2620645862 0.67 [O-]C(=O)CCCCCCCC=CCC=CCCCCC.[K+]
MCULE-1720910553 0.67 [O-]C(=O)CCCCCCCC([H])=C([H])CC([H])=C([H])CCCCC.[Na+]
MCULE-4777198621 0.67 CCCCC/C=C\CCCCCC(C(=O)O)C(O)CC(=O)O
MCULE-8100043699 0.67 O=CC1C(/C=C/C=C/CCC)CC(O)C(O)C1=O
MCULE-5507744017 0.67 C1([C@H](CO)C(=O)[C@H](O)[C@H](O)C1)/C=C/C=C/CCC
MCULE-8763282524 0.67 OC([C@@]12CC[C@@]3(C(O)=O)CCC(C(C)=C)C3[C@@]1([H])CCC1[C@@]2(C)CCC2[C@@]1(CC[C@H](O)C2(C)C)C)=O
MCULE-2871457061 0.67 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(C)=C)CC[C@@]5(CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C([C@@H]1O)(C)C)C(O)=O
MCULE-7321817046 0.67 CC1([C@@]2(CCC(C(=O)O)=CC2)C(=C)CCC1)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-2735934269 0.67 OC1(C(CC2CC=CCC2)=O)CCCC1
MCULE-9982252588 0.67 O=C(O)[C@]12[C@]([C@]3(CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])[H])([H])[C@H](C(=C)C)CC2
MCULE-9966885116 0.67 [C@@H]1(O)CC2(C3CC=C4C5C(C)C(=C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(CO)(C)[C@H]1O)C
MCULE-3240845890 0.67 C1C[C@@]2(C)[C@@](C[C@H](C(C(=O)O)=C)CC2)([C@@](C1)(O)C)[H]
MCULE-2374686913 0.67 C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(O)=O)[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
MCULE-5865455343 0.67 CC(C=O)(CC1CC=CC1)O
MCULE-3524678284 0.67 C1C[C@@]2(CC[C@@H](C(C(=O)O)=C)CC2C([C@@H]1O)=C)C
MCULE-4676598997 0.67 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-8322152301 0.67 CC(C1C2C3C(C)(CCC2(C(O)=O)CC1)C1(C)C(C2(C)C(CC1)C(C)(C)C(=O)CC2)CC3)=C
MCULE-1300466204 0.67 OC(=O)CC(O)C(C)C/C=C/CC(C)C(O)CC(=O)O
MCULE-4023009546 0.67 C([C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@]4(CC[C@H](O)[C@@](C)(C=O)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O)C)(=O)O
MCULE-8675761077 0.67 [C@]12([H])[C@@](C)(CCC[C@]1(C)CC[C@H](C2)C(=C)C(O)=O)O
MCULE-5624348400 0.67 C1(C(=O)O)CC2C=CC1CC2
MCULE-5097841519 0.67 C1(=O)C([C@]2([C@](C)(CC1)[C@]1([H])[C@@]([C@]3([C@@](CC1)([H])[C@@]1([C@@](CC[C@H]1C(C)=C)(C(O)=O)CC3)[H])C)(C)CC2)[H])(C)C
MCULE-3959902732 0.67 OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
MCULE-3741444667 0.67 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-9549608104 0.67 C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O
MolPort-035-706-326 0.67 CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C[C@H](O)[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-035-706-307 0.67 CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@](C)(CC(O)=O)[C@@H](CC3)C(C)(C)C=O
MolPort-029-942-945 0.67 C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C/C(O)=O
MolPort-046-594-086 0.67 CC1(C)CC[C@@]2([C@H](O)C[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-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-008-322-980 0.67 CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O
MolPort-046-153-751 0.67 CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-046-158-502 0.67 CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O
MolPort-007-980-884 0.67 CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-002-683-774 0.67 CC(C)=C1C2CC2C2C(C12)C(O)=O
MolPort-046-158-394 0.67 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12
MolPort-007-980-897 0.67 CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-046-426-986 0.67 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C12)C(O)=O
MolPort-035-706-217 0.67 C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(=C)C(O)=O
MolPort-001-740-815 0.67 C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(O)=O
MolPort-009-018-856 0.67 CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
MolPort-002-893-729 0.67 OC(=O)C1CC2CCC1C=C2
MolPort-000-772-330 0.67 CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-005-944-694 0.67 CC(=C)C1CC[C@@]2(CC[C@@]3([C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O)C(O)=O
MolPort-003-939-279 0.67 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-000-421-911 0.67 CC1(C)C2CCC(C2)(C(O)=O)C1=C
MolPort-019-937-248 0.67 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C5CC[C@@]34C)C(O)=O)C2C1)C(O)=O
MolPort-003-937-818 0.67 CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
MolPort-046-790-502 0.67 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)C2=C1C)C(O)=O
MolPort-000-422-027 0.67 CC1(C)C2CCC(C2)(C([O-])=O)C1=C
MolPort-019-997-682 0.67 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-005-945-549 0.67 CC(=C)[C@@H]1CC[C@@]2(CC[C@@]3([C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O)C(O)=O
MolPort-003-930-815 0.67 OC(=O)CCCCC=C
MolPort-021-804-489 0.67 CC12CCC(O)C(=C)C1CC(CC2)C(=C)C(O)=O
MolPort-023-219-645 0.67 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2C(O)=O
MolPort-001-740-814 0.67 C[C@]12CC[C@@H](O)C(=C)C1C[C@@H](CC2)C(=C)C(O)=O
MolPort-023-220-126 0.67 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-023-276-984 0.67 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-005-932-301 0.67 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
MolPort-006-111-539 0.67 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-003-666-072 0.67 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-027-835-537 0.67 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-002-929-501 0.67 C[C@]1(O)CCC[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
MolPort-006-112-162 0.67 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-028-610-006 0.67 CC1C2C3=CCC4C5(C)C[C@@H](O)[C@H](O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CCC1=C)C(O)=O
MolPort-001-740-747 0.67 CC1(O)CCCC2(C)CCC(CC12)C(=C)C(O)=O
MolPort-028-754-125 0.67 CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O
MolPort-035-706-378 0.67 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-039-242-365 0.67 OC(=O)[C@@H]1C[C@H]2CC[C@@H]1C=C2
MolPort-039-052-646 0.67 CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C[C@@H](O)[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-006-129-942 0.67 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-044-561-075 0.67 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
MolPort-001-785-920 0.67 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(O)=O
MolPort-002-507-130 0.67 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-042-624-120 0.67 CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-003-941-891 0.67 CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O
MolPort-039-033-337 0.67 CC(=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)C12)C(O)=O
MolPort-042-675-273 0.67 CC(C\C=C\CC(C)C(O)CC(O)=O)C(O)CC(O)=O
MolPort-035-706-461 0.67 C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(O)=O
MolPort-002-512-343 0.67 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-001-742-037 0.67 CC(=C)C1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-002-524-552 0.67 CC1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
MolPort-005-944-788 0.67 CC(=C)[C@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-035-706-502 0.67 C[C@H]1[C@@H](C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]12)C(O)=O
MolPort-044-183-250 0.67 C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-524-807 0.67 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-001-741-862 0.67 CC1CCC2C(C)(CCC(O)C2(C)C=O)C1CC\C(C)=C/C(O)=O
MolPort-001-742-604 0.67 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-006-668-441 0.67 CC1(C)CCCC(=C)C11CCC(=CC1)C(O)=O
MolPort-039-062-015 0.67 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
MolPort-039-052-607 0.67 C[C@H]1[C@@H](C[C@H](O)[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]12)C(O)=O
MolPort-039-338-094 0.67 CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(C[C@@H](O)[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
MolPort-039-338-358 0.67 CC1(C)CC[C@@]2(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)C(O)=O
MolPort-001-972-569 0.67 OC(=O)C1C2C1C1CC2C=C1
MolPort-039-139-037 0.66 CCCC\C=C\C=C\C=C/CCCCCCCC(=O)OCC
MolPort-001-739-668 0.66 CC(CCCCC(O)C(CO)C(O)=O)C\C(C)=C\C(\C)=C\C(O)=O
MolPort-046-697-161 0.66 CCC\C=C\C=C\C1CC(O)C(O)(C1CO)C(O)=O
MCULE-9998858745 0.66 C1(/C=C/C=C/CCC)C(CO)C(C(=O)O)(O)C(O)C1
MCULE-7865324905 0.66 C12CC3C(CC(O)C(O)C3)CC1(C)C=CC1=C(C)C(=O)CCC21
MCULE-5920047196 0.66 C(=O)(O)C(CO)C(O)CCCCC(C)C/C(=C/C(/C)=C/C(=O)O)/C
MCULE-6829909415 0.66 C(C(=O)O)C[C@]1(C)C2CC[C@]3(C)[C@@]([H])([C@H](C(=O)O)CC/C=C(/C)\C)[C@H](O)C[C@@]3(C)C=2CC[C@@]1([H])C(=C)C
MCULE-2519630522 0.66 C12C(CCC=C(C(O)=O)CCC1C(C)(C)C2)=C
MCULE-7929696567 0.66 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-5765051698 0.66 C(CCCC=CC(O)=O)CCCCC(O)=O
MCULE-3684696083 0.66 CCCCCC/C=C/CCCCCCCC(OC)=O
MCULE-7491068561 0.66 [C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
MCULE-6534469638 0.66 C(CCCCC=CCCCC)CCC(=O)OC
MCULE-5967042891 0.66 [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-4995415924 0.66 C(CCC)CCCC/C=C\CCCCCCCC(=O)OC
MCULE-2847349308 0.66 [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-2350131012 0.66 C(CCCCCCCCC=CCCCCCC)(OC)=O
MCULE-1547137893 0.66 C12CCC(C(C)CCCC(=O)C)C1(C)CCC1C3(C)CCC(O)CC3=CCC21
MCULE-4006235073 0.66 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)=O
MCULE-5533097898 0.66 C(CCCC(=O)OC)CCCC=CCCCCCC
MCULE-4269813571 0.66 [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-2615091969 0.66 O=C1C(C2CCCCC2)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-6089018925 0.66 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-1939531919 0.66 CC1CC(C(O)=O)(C2C=CCCC2)C1
MCULE-8140747078 0.66 C(CCCCCCCC=CCCCCCCCC)(OC)=O
MCULE-3629918410 0.66 O=C(CCC(C)C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)CC
MCULE-7829183730 0.66 O=C1C(C(C)C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-9564533694 0.66 OC(=O)/C=C/CCCCCCCCCCCC(=O)O
MCULE-9526433855 0.66 [C@]12(C)CCC3[C@@]([H])(CC=C4CC(O)CC[C@]34C)C1C[C@@H](C)[C@]2(C)C(C)=O
MCULE-4690400847 0.66 C1(CCCCCCC(=O)O)CC[C@@H](O)C=1
MCULE-1052417281 0.66 C(CCCCCCCCCCCCCC=CCCCCCCCC)(OC)=O
MCULE-2538866374 0.66 C(C1C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C)(=O)C
MCULE-6541953240 0.66 C1CCC(C(C)(C(O)=O)C)=CCCC1
MCULE-5277306782 0.66 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-7708235386 0.66 OC(C1(CC=CC1)CC1CC=CCC1)=O
MCULE-1261827700 0.66 OC(=O)/C=C/CCCCCCCCCC(=O)O
MCULE-7677256646 0.66 OC(C1(CC=CC1)CC1CCCC=1)=O
MCULE-8493572612 0.66 C([H])(CCCCCCCC)=C(CCCCCCCCCCCC(=O)OC)[H]
MCULE-9672606479 0.66 [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-6728895797 0.66 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC1CCCCC21C(C)=O
MCULE-6767000432 0.66 C1CCC(C(O)=O)CCC=1
MCULE-8211700424 0.66 C(O)(=O)C(C)(CCCC(C)=C)C=C
MCULE-2484766562 0.66 C1C[C@@]2([C@]3(CC[C@@]4([C@]5([C@H](C(C)=C)CC[C@]5(C=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)[H])[H])[H])C
MCULE-1753922453 0.66 [H][C@@]12[C@]3(CC[C@]4([C@](C)([C@]3(C)CC[C@@]1(C=O)CC[C@H]2C(=C)C)CC[C@]1([H])[C@@]4(CC[C@@H](C1(C)C)O)C)[H])[H]
MolPort-001-742-388 0.66 CC1(C)CC2C1CC\C(=C/CCC2=C)C(O)=O
MolPort-046-508-998 0.66 CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@](C)(CCC(O)=O)[C@@H](CC3)C(C)=C)C(O)=O
MolPort-003-666-312 0.66 CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-003-849-688 0.66 CCCCCCCCC=CCCCCCCCC(=O)OC
MolPort-046-764-596 0.66 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-046-596-590 0.66 CC(=O)C12CCCC[C@@H]1C[C@H]1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
MolPort-046-597-698 0.66 C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
MolPort-028-610-143 0.66 OC(=O)CCCCCC\C=C\C(O)=O
MolPort-003-891-893 0.66 CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
MolPort-009-019-018 0.66 CCCCCCCC\C=C/CCCCCC(=O)OC
MolPort-003-916-055 0.66 CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC
MolPort-046-691-997 0.66 [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-002-158-261 0.66 CC(=O)C12CCCCC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
MolPort-009-018-817 0.66 OC(=O)CCCCCCCC\C=C/C(O)=O
MolPort-046-762-480 0.66 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-003-927-207 0.66 OC(=O)CCCCCCCC\C=C\C(O)=O
MolPort-001-740-060 0.66 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
MolPort-003-959-894 0.66 CCCCCC\C=C\CCCCCCCCCC(=O)OC
MolPort-002-911-249 0.66 CC(CCCC(C)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-003-959-122 0.66 CCCCC\C=C/CCCCCCCCCCC(=O)OC
MolPort-003-927-107 0.66 CCCCCCCC\C=C/CCCCCCCCCC(=O)OC
MolPort-042-675-343 0.66 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-001-740-140 0.66 CCCCCCCC\C=C/CCCCCCCC(=O)OC
MolPort-005-909-640 0.66 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-003-927-108 0.66 CCCCCC\C=C/CCCCCCCCCC(=O)OC
MolPort-003-929-763 0.66 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-002-507-455 0.66 C[C@@H]1CC2[C@@H]3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-046-765-250 0.66 C[C@@H](C=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
MolPort-046-761-810 0.66 [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-002-525-706 0.66 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-003-959-376 0.66 CCCCCCCCCCC\C=C/CCCCC(=O)OC
MolPort-039-138-853 0.66 CCCCC1[C@H]2CC(=O)[C@H](C\C=C/CCCC(O)=O)[C@H]2CCC1=O
MolPort-002-522-274 0.66 CC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-003-938-663 0.66 CCCC\C=C/CCCCCCCC(=O)OC
MolPort-046-419-080 0.66 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-002-524-169 0.66 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-003-938-950 0.66 CCCCCC\C=C\CCCCCCCC(=O)OC
MolPort-002-506-906 0.66 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-003-941-737 0.66 CCCCCC\C=C/CCCCCCCCC(=O)OC
MolPort-046-589-954 0.66 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-002-527-265 0.66 C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
MolPort-003-933-240 0.66 CCCCCCCC\C=C\CCCCCCCC(=O)OC
MolPort-044-754-165 0.66 OC(=O)CCCCCCCCCCC\C=C\C(O)=O
MolPort-035-706-531 0.66 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-001-741-355 0.66 OC(=O)CCCCCCC\C=C/CC(O)=O
MolPort-000-720-642 0.66 CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-046-596-264 0.66 C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-003-938-957 0.66 CCCCCC\C=C/CCCCCCCC(=O)OC
MolPort-002-525-209 0.66 C[C@H](CCCC(C)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-044-754-166 0.66 OC(=O)CCCCCCCCC\C=C\C(O)=O
MolPort-009-198-793 0.66 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-918-587 0.66 OC(=O)C1CCC=CCC1
MolPort-023-299-061 0.66 C[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)CO
MolPort-027-637-299 0.66 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C=O
MolPort-046-153-745 0.66 C[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)C=O
MolPort-007-980-904 0.66 CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12)C=O
MolPort-035-705-831 0.65 CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2C[C@@H]1O
MolPort-039-338-438 0.65 CC1(C)CC[C@@]2(CC[C@]3(C)C(C=C[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1)C(O)=O
MolPort-039-338-234 0.65 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H]([C@@H](O)C=C21)C(=C)C3)C(O)=O
MolPort-042-675-478 0.65 CC(CC(=O)C=C(C)C)C1CC(O)C(=C)C=C1
MolPort-046-509-025 0.65 C[C@@H](CC(=O)C=C(C)C)[C@H]1C[C@H](O)C(=C)C=C1
MolPort-019-936-806 0.65 C[C@@H]1[C@H]2C3=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(O)=O
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-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-046-761-837 0.65 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)(CO)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-009-649-413 0.65 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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-039-052-627 0.65 CC(=O)\C=C\[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@]2(C)C(O)=O
MolPort-016-638-416 0.65 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-005-944-681 0.65 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(O)=O
MolPort-005-938-499 0.65 CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(O)=O
MolPort-039-101-205 0.65 CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O
MolPort-020-005-948 0.65 C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
MolPort-046-790-494 0.65 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC=C21)[C@@](O)(CO)C3)C(O)=O
MolPort-020-006-013 0.65 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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-001-533-939 0.65 CC(C)=C1C2CCC1C(C2C(O)=O)C(O)=O
MolPort-046-790-505 0.65 C[C@H]1CC(=O)C=C2CC[C@H](C[C@]12C)C(=C)C(O)=O
MolPort-002-507-603 0.65 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-003-936-393 0.65 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-001-741-429 0.65 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2[C@H]1C)C(O)=O
MolPort-046-761-019 0.65 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1)C(O)=O
MolPort-035-706-383 0.65 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]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-028-754-124 0.65 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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-044-562-375 0.65 CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
MolPort-044-637-462 0.65 CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
MolPort-002-841-841 0.65 CC(C)CCCC(C)C1CCC2C(C(CC[C@]12C)[C@@]1(C)CCC(=O)C=C1)C(O)=O
MolPort-001-742-062 0.65 CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
MolPort-001-740-301 0.65 C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC=C21)C(O)(CO)C3)C(O)=O
MolPort-001-741-005 0.65 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(O)=O
MolPort-035-706-203 0.65 C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CC=C(C)C(=O)[C@H]12)C(O)=O
MolPort-046-627-162 0.65 CC1C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O
MolPort-039-338-606 0.65 CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)C(=C)CC1=O
MolPort-035-706-443 0.65 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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-035-706-442 0.65 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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-039-052-434 0.65 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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-039-052-491 0.65 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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-035-706-441 0.65 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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-035-706-407 0.65 CC1(C)CC[C@@]2(CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)[C@H](O)C[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1)C(O)=O
MolPort-009-014-456 0.65 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-006-126-388 0.65 CC(C)(O)CCCC1=CCC(CC1)C=O
MolPort-022-366-437 0.65 OC(=O)CC1CCCC=C1
MCULE-9579621162 0.65 C1C[C@]2(C)[C@@]3([H])C[C@H](O)C(C(C)C)=CC3=CC[C@@]2([H])[C@@](C(=O)O)(C)C1
MCULE-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-1383087393 0.65 C1=C[C@@]([H])([C@H](CC(/C=C(/C)\C)=O)C)C[C@H](O)C1=C
MCULE-6893473009 0.65 C1(C(C)CC(/C=C(\C)/C)=O)CC(O)C(=C)C=C1
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-6147550234 0.65 [C@@H]1(C[C@@]2([C@@]3([H])CC=C4[C@@]5([H])[C@](CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@]([C@H]1O)(C)CO)(C(O)=O)CCC(C)(C)C5)C)O
MCULE-1389326170 0.65 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@@H]1O
MCULE-7258934827 0.65 C1C[C@@]2(C)[C@]([H])(/C=C/C(=O)C)C(=C)CC[C@]2([H])[C@](C(O)=O)(C)C1
MCULE-5436553655 0.65 [C@@H]1(O)C[C@@]2([C@@]3([H])CC=C4[C@]5([C@](C(O)=O)(CCC(C)(C)C5)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@](C)(CO)[C@H]1O)[H])C
MCULE-2458465887 0.65 O=C(OC)CCC(C)C1CCC2C1(C)C(O)CC1C2CCC2C=CCCC21C
MCULE-1218384038 0.65 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@H]1O
MCULE-2999920945 0.65 C12(C)C(C(C)CCC(OC)=O)CCC1C1C(CC2)C2(CCCCC2C=C1)C
MCULE-5774214368 0.65 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-1877150050 0.65 C12(C)CCC(O)CC1=CCC1C2CCC2(C)C(CCC21)(O)CCC(O)=O
MCULE-9707443606 0.65 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-2506870963 0.65 C12(C)CCCC(C)(C(O)=O)C1CCC1CCC(O)CC2=1
MCULE-1974040943 0.65 C12=CC[C@]3([C@@](C)(CC[C@]4([H])[C@]3(C)C[C@@H](O)[C@@H]([C@@]4(C)CO)O)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
MCULE-9693195749 0.65 [C@@H]1(O)C[C@@]2(C3CC=C4C5CC(C)(C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2[C@]([C@@H]1O)(C)CO)C
MCULE-7626806338 0.65 C1CC2(C)C3CC=C4C5C(C)C(C)C(O)CC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-4431659207 0.65 C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(C)C1O
MCULE-8031195256 0.65 [C@]12(C(=C[C@@H](O)CC1)[C@@H](C[C@@]1([C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2([H])[C@H](C)CCC(O)=O)C)[H])O)C
MCULE-5074709635 0.65 C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(O)(CO)C1)C3)C
MCULE-5686534690 0.65 C12=CCC3C(C)(CCC4C3(C)CC(O)C(C4(C)CO)O)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O
MCULE-9942267030 0.65 C12(C)CC=C(C(CCCC(C)C)C(O)=O)CC1CCC1C3C(C)(CCC21)C(O)CC3
MCULE-6957829896 0.65 [C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O
MCULE-7925068743 0.65 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@@H]1O
MCULE-2700455616 0.65 C1CC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1O
MCULE-8342191825 0.65 C1(=C(C)C)C2CCC1C(C2C(O)=O)C(O)=O
MCULE-6464655857 0.65 C1C[C@@]2([H])[C@H](C)CC[C@@]([H])([C@@H](C)C(=O)O)[C@@]2([H])C(=O)C=1C
MCULE-1144217583 0.65 C1(C=O)CCC(CCCC(O)(C)C)=CC1
MCULE-8251326522 0.65 C=C1C[C@@]23[C@](CC[C@@]1(C2)O)([H])[C@@]1(C)[C@]([C@@](CCC1)(C(=O)O)C)([H])CC3
MCULE-5848120811 0.65 C1(=C)C2CCC1CC(C(O)=O)C2
MCULE-2112175098 0.65 CC(C1C2C3C(C)(CCC2(C(O)=O)CC1)C1(C)C(C2(C)C(CC1)C(CO)(C)C(O)CC2)CC3)=C
MCULE-3735012527 0.65 C[C@@]1([C@@]2([H])[C@]([C@]3(CC[C@@]4(C[C@]3(CC2)CC4=C)O)[H])(C)CCC1)C(=O)O
MCULE-3719801152 0.65 [C@@H]1(O)C[C@@]2(C3CCC4C5[C@H](C(C)=C)CC[C@]5(C(=O)O)CC[C@]4([C@]3(C)CCC2C([C@H]1O)(C)C)C)C
MCULE-2458365976 0.65 C1CC2(C)CCC(C(=C)C(=O)O)CC2C(O)(C)C1O
MCULE-1233983645 0.65 CC12C3CCC4(O)C(CC3(C4)CCC1C(C(O)=O)(C)CCC2)=C
MCULE-6212623017 0.65 C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(=C)C)CC[C@]5(C(=O)O)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O)C
MCULE-3558747073 0.65 [C@]12(CC[C@]3([C@@](CC[C@@]4([H])[C@](C)(CO)[C@H](CC[C@]34C)O)([C@]1(C)CC[C@@]1(C(O)=O)CC[C@@H](C(C)=C)[C@@]12[H])C)[H])[H]
MCULE-8091131175 0.65 [C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(=O)C2(C)C)C(=O)[O-].[K+]
MCULE-2845490138 0.65 [C@]123CC[C@H](C1)C(C(=C)[C@@]2([H])CC[C@@H]3C(O)=O)(C)C
MCULE-9003092096 0.65 [Na+].C12(CCC(C(C)(C)C1=C)C2)C(=O)[O-]
MCULE-6569170574 0.65 C1CC2(C(C3(C(C(C(C31)(C)C)O)C=O)C)CCC1C3C(C(C)=C)CCC3(CCC21C)C(=O)O)C
MCULE-9706743745 0.65 C1C[C@]2(C)[C@]3([H])CC[C@@]4(O)C(=C)C[C@@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
MCULE-7633282937 0.65 C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)C)C)CC(O)C4(C)C3=CCC2C(C)(C)C1=O
MCULE-1128702855 0.65 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-2754580936 0.65 C/C(/C)=C/CC([C@H](C(C)=O)[C@@H]1[C@@]2(C)CC=C3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]1O)=C
MCULE-1501068987 0.65 C1(C(CC(O)C1O)/C=C/C=C/CCC)C(=O)O
MCULE-1608951387 0.65 C(=C/CC)/CC(/C=C/C(O)C(O)CCCCCCCC(=O)O)O
MCULE-2236994087 0.65 C1(CCC(CC=1)C(C)=C)C(O)=O
MCULE-2810354958 0.65 C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-2460476091 0.65 C1C[C@@]([H])(/C(/C)=C/C(=O)CC(C)C)CC=C1C(=O)O
MCULE-7712069033 0.65 C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O
MolPort-021-804-706 0.65 CC1(O)C(O)CCC2(C)CCC(CC12)C(=C)C(O)=O
MolPort-039-052-637 0.65 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)[C@H]3O)C(O)=O
MolPort-002-526-213 0.65 [Na+].CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C([O-])=O
MolPort-046-594-199 0.65 CC12CCCC(C)(C1CCC13CC(=C)C(O)(C1)CCC23)C(O)=O
MolPort-039-338-304 0.65 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)[C@@H]3O)C(O)=O
MolPort-000-704-547 0.65 [K+].CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C12)C([O-])=O
MolPort-001-742-316 0.65 CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC34C)C12)C(O)=O
MolPort-005-945-582 0.65 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CCC(=O)C(C)(C)C5C(O)C[C@@]34C)C12)C(O)=O
MolPort-027-835-542 0.65 C[C@]12CCC[C@](C)([C@@H]1CC[C@]13CC(=C)[C@@](O)(C1)CC[C@H]23)C(O)=O
MolPort-002-525-668 0.65 [K+].CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C12)C([O-])=O
MolPort-046-153-069 0.65 C[C@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(O)=O
MolPort-020-005-960 0.65 C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(O)=O
MolPort-039-338-114 0.65 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-001-741-356 0.65 CC(=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)C12)C(O)=O
MolPort-035-706-376 0.65 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-001-742-556 0.65 CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(O)=O
MolPort-000-706-606 0.65 [Na+].CC1(C)C2CCC(C2)(C([O-])=O)C1=C
MolPort-044-183-228 0.65 CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O
MolPort-027-641-312 0.65 CCCCC\C=C/C=C/C(CCCCCCCC(O)=O)OO
MolPort-046-153-164 0.65 CC(CCC(O)C(C)(C)O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
MolPort-027-641-320 0.65 CCCCCC(OO)\C=C\C=C/CCCCCCCC(O)=O
MolPort-035-706-518 0.65 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-001-739-399 0.65 CCC\C=C\C=C\C1CC(O)C(O)C1C(O)=O
MolPort-002-911-165 0.65 C[C@]1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C
MolPort-035-706-169 0.65 CC(C)CC(=O)\C=C(/C)[C@@H]1CCC(=CC1)C(O)=O
MolPort-001-740-031 0.65 CC\C=C/CC(O)\C=C\C(O)C(O)CCCCCCCC(O)=O
MolPort-002-508-355 0.65 CC(C)=CCCC1=CCC(C(C1)C(O)=O)C(O)=O
MolPort-006-118-969 0.65 CC(=C)C1CCC(=CC1)C(O)=O
MolPort-002-911-143 0.65 C[C@]1(O)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
MolPort-046-596-387 0.64 CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-596-401 0.64 C[C@]12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2O
MolPort-002-526-059 0.64 C[C@]1(O)CCC2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
MolPort-046-596-410 0.64 C[C@]1(O)CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
MolPort-046-764-565 0.64 C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-002-911-080 0.64 C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
MolPort-000-146-103 0.64 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-046-793-201 0.64 C[C@]12CC[C@H]3[C@@H](CCC4=C[13C](=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-046-765-861 0.64 [2H][C@@H]1C[C@H]2[C@H]3CC[C@@H](C(C)O)[C@]3(C)CC[C@H]2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
MolPort-046-765-469 0.64 C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC(=O)[C@]3(C)O)[C@@]2(C)CCC(=O)C=C12
MolPort-046-765-461 0.64 C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC(=O)[C@@]2(C)O
MolPort-003-849-312 0.64 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
MolPort-003-848-014 0.64 [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-046-765-340 0.64 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
MolPort-000-726-918 0.64 C[C@@H]1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O
MolPort-002-526-836 0.64 C[C@]12CCC3[C@@H](CCC4=C3CCC(=O)C4)C1CCC2O
MolPort-002-911-148 0.64 CCC1=C2CCC3C4CC[C@](C)(O)C4(C)CCC3C2(C)CCC1=O
MolPort-002-911-141 0.64 CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-911-151 0.64 C[C@]1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC12C
MolPort-002-911-071 0.64 C[C@@H]1CC2(C)C3CCC4(C)C(CC[C@]4(C)O)C3CCC2=CC1=O
MolPort-002-527-294 0.64 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-002-800-539 0.64 CC12CCC3C(CCC4=CC(O)CCC34C)C1CCC2=O
MolPort-030-042-288 0.64 CC12CCC3C(CC=C4CC(O)CCC34CO)C1CCC2=O
MolPort-029-996-101 0.64 COC(=O)[C@H]1[C@H]2CC\C=C/CC[C@@H]12
MolPort-029-996-102 0.64 COC(=O)[C@@H]1[C@H]2CC\C=C/CC[C@@H]12
MolPort-046-765-305 0.64 CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O
MolPort-004-285-983 0.64 CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-006-111-052 0.64 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-006-069-150 0.64 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-006-069-421 0.64 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-005-937-958 0.64 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-004-956-486 0.64 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-005-944-959 0.64 CC1(C)C(=O)CCC2C1=CCC1CC(C)(C=C)C(O)CC21C
MolPort-046-793-369 0.64 [2H][C@@H]1C[C@H]2[C@H]3CC[C@@H]([C@@H](C)O)[C@@]3(C)CCC2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
MolPort-038-386-585 0.64 OC(CCCCCCCC(O)=O)\C=C\C(O)=O
MolPort-002-526-688 0.64 C[C@]12CCC3[C@@H](CCC4=C[C@H](O)CC[C@]34C)C1CCC2=O
MolPort-035-706-269 0.64 C[C@@H](O)\C=C\[C@@]1(O)[C@H](C)CC(=O)CC1(C)C
MolPort-046-690-504 0.64 C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-521-548 0.64 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-002-520-919 0.64 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CCC2O
MolPort-002-512-678 0.64 C[C@@H]1CC2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-002-510-419 0.64 C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-002-507-387 0.64 C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-507-282 0.64 CC1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-506-984 0.64 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-002-506-869 0.64 C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34CO)C1CCC2=O
MolPort-046-764-442 0.64 [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-019-997-276 0.64 C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O
MolPort-039-338-302 0.64 C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
MolPort-000-831-717 0.64 C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
MolPort-002-116-843 0.64 CC1CC2C3CCC4CC(O)CCC4(C)C3=CCC2(C)C1(O)C(C)=O
MolPort-001-785-932 0.64 CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-046-693-157 0.64 CC1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]23)CC1=O
MolPort-046-693-069 0.64 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-044-755-246 0.64 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-046-692-950 0.64 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)C=C[C@]34C)[C@@H]1CCC2=O
MolPort-046-417-742 0.64 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-046-691-031 0.64 [2H]C1([2H])C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1([2H])O
MolPort-046-596-363 0.64 C[C@@H]1CC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-039-052-695 0.64 C\C(C=C)=C/C[C@H]1[C@](C)(O)[C@@H](O)[C@H](O)[C@H]2C(C)(C)CCC[C@]12C
MolPort-021-804-772 0.64 OC(=O)CCC(CCCCCCCCC=C)C(O)=O
MolPort-004-769-150 0.64 OC(=O)C1(CC=C)CCCC1
MolPort-046-790-393 0.64 CC(C)=C1C[C@H]2C(=C)CCC[C@]2(C)CC1=O
MolPort-044-831-889 0.64 OC(=O)C1(CCC1)C1(CCC1)C=C
MolPort-005-944-220 0.64 OC(=O)CCC(CCCCCCC=C)C(O)=O
MolPort-046-764-482 0.64 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC(=C)[C@]34C)[C@@H]1CCC2=O
MolPort-035-706-381 0.64 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H](O)CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-038-386-532 0.64 CCC\C=C\C=C\C(CCCC(=O)OC)C(O)=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-035-706-216 0.64 COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1
MCULE-8429170945 0.64 C1C(CC(O)=O)C(C=C)CC=1
MCULE-3945869814 0.64 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-6557448423 0.64 C12CC[C@@](O)(C)C1(C)CCC1C3CCC(=O)CC=3CCC21
MCULE-9071849084 0.64 C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CC(C)C2(O)C(C)=O)[H]
MCULE-1990275167 0.64 C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-8721567365 0.64 [C@@]12(C)C(O)CC[C@@]1([H])[C@]1([C@@]([H])(C3CCC(C=C3CC1)=O)CC2)[H]
MCULE-2674225616 0.64 OC1C(C2(C(O)=O)CC=CC2)CCC1
MCULE-5063748511 0.64 C12CCC3=CC([C@H](C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
MCULE-3216123627 0.64 C1CC(C(C1(CC(=O)O)C)CC/C(=C/CCC(=O)C)/CO)C(C)(C)O
MCULE-9131674305 0.64 O=C1CCC2(C)C3CCC4(C)C(CO)CCC4C3CCC2=C1
MCULE-1660040884 0.64 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-6436563816 0.64 C(CCCCCC)CC1CC=1CCCCCCCC(=O)OC
MCULE-4241274271 0.64 C1(=O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
MCULE-1294118086 0.64 [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-9917637884 0.64 [C@]12(CO)CC[C@@H](CC1=CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)O
MCULE-5685325143 0.64 C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CCC2C(CO)=O)[H]
MCULE-3841271177 0.64 C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2
MCULE-8259872102 0.64 C(C)(C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-6301076627 0.64 [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-2960890696 0.64 C12C(C(=O)O)C3C4C(C(C(=O)O)C(C14)C=C2)C=C3
MCULE-3171016035 0.64 C1CCC2C(C(O)=O)C2C=CC1
MCULE-5274452426 0.64 [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-1657159254 0.64 [C@@]12(C)[C@@H](O)CC[C@@]1([H])[C@]1([C@@]([H])([C@H]3CCC(C=C3CC1)=O)CC2)[H]
MCULE-4871834352 0.64 OC(C1(CC=CC1)CC1(CCCC1)O)=O
MCULE-8374913301 0.64 CC1(C(C2(C(O)=O)CC=CC2)CCC1)O
MCULE-3946245376 0.64 C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(C)O)C)=O
MCULE-3333652397 0.64 C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2O)C)=O
MCULE-1591105974 0.64 C12(CO)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)O
MCULE-8155210029 0.64 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-7998597001 0.64 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-4464327459 0.64 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-8621711737 0.64 C12([H])CCC=CCCC1(C2C(OC)=O)[H]
MCULE-1065645853 0.64 [C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2(C)O)C)=O
MCULE-1327121373 0.64 CC(CC1(C(O)=O)CC2(CCC2)C1)=C
MCULE-4617598220 0.64 CC(C1(C(O)=O)CC2(CCC2)C1)C=C
MCULE-7281525757 0.64 C1(C)(C)C(CCC1=C)CC(O)=O
MCULE-5486459234 0.64 OC(C1(CC2(CCC2)C1)CC=C)=O
MCULE-4540266032 0.64 C(O)(=O)CC1CCCC1C=C
MCULE-3490442378 0.64 C1C[C@]2(C)CC[C@@H](C(C(=O)OC)=C)CC2=C(C)C1
MCULE-7926334535 0.64 CCC/C=C/C=C/C(CCCC(=O)OC)C(=O)O
MCULE-9484484276 0.64 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-7703543535 0.64 C1(C)(CC/C=C(\C)/C)CC(C)(C)CC(=O)C1
MCULE-8949375623 0.64 C/C(/C)=C/CCC1CC(O)CCC1
MCULE-9513927762 0.64 CC1C2(C)CCC3C4(C)CCC(CC/C=C(\C)/C)(C)CC4(C)CCC3(C)C2CCC1=O
MCULE-4280394560 0.64 C1C(=O)[C@]2(C)C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2[C@](C)(CO)[C@H]1O
MCULE-9449984869 0.64 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-2011201542 0.64 [C@]12(C)CCC([C@H](C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC=CC1=O
MCULE-2445591436 0.64 C1C[C@]2([H])[C@](C(=O)O)(C)[C@H](C[C@@H](CC)O)C(C)=C[C@]2([H])CC1
MCULE-2582951504 0.64 C1CC2(C)C(C(O)=O)=CCC2C(C)(C)C1
MCULE-7329243914 0.64 C12(CO)CCC(C(C)(CCC(C)CC(O)=O)C1CCC=C2CO)C
MCULE-1872459490 0.64 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-3600048668 0.64 [C@@]12(C)C[C@@H](O)[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)C[C@@H]([C@H](O)[C@@]2(C)CO)O)[H])C(O)=O
MCULE-6588005387 0.64 [C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([C@]([C@@H](C[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)([C@H]1O)CO)O)(C(=O)O)CCC(C)(C)C5)[H]
MCULE-7472546811 0.64 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-7688714216 0.64 O=C(O)[C@@]12[C@H](O)C[C@]3(C)C(=CC[C@]4([C@@]3(C)CC[C@]3([H])[C@@]4(C[C@@H]([C@@H](C3(CO)CO)O)O)C)[H])[C@]1([H])CC(C)(C)CC2
MCULE-5701652206 0.64 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-8392723345 0.64 C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)OC
MCULE-3985606919 0.64 [C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C(=O)O)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)C
MCULE-3305395898 0.64 C12C3C4C5C1C(C1C5C5C4C(C(O)C5C1=O)C3=O)C=C2
MolPort-046-594-349 0.64 CC1C(=O)CCC2C1(C)CCC1C2(C)CCC2(C)CC(C)(CCC=C(C)C)CCC12C
MolPort-020-005-764 0.64 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-019-937-489 0.64 CC12CCCC(C)(C)C1CC=C2C(O)=O
MolPort-002-841-842 0.64 CC(C)CCCC(C)C1CCC2[C@H](C(CC[C@]12C)[C@@]1(C)CCC=CC1=O)C(O)=O
MolPort-039-052-429 0.64 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-020-005-851 0.64 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-023-220-752 0.64 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@H]2C1)C(O)=O
MolPort-027-835-540 0.64 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@H]2C1)C(O)=O
MolPort-027-836-470 0.64 CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-027-853-644 0.64 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]3(C)CCC3[C@](C)(CO)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1)C(O)=O
MolPort-007-980-885 0.64 COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
MolPort-039-338-206 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@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
MolPort-046-647-049 0.64 OC(=O)C1=C[C@@H]2CCCC[C@H]12
MolPort-044-183-126 0.64 CCCCCC(=O)CC[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
MolPort-001-742-437 0.64 CC(CCC1(C)C(C)CCC2(CO)C1CCC=C2CO)CC(O)=O
MolPort-046-763-810 0.64 COC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-929-774 0.64 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-009-019-192 0.64 CCCCC\C=C/C\C=C/CC\C=C/CCCC(O)=O
MolPort-046-773-759 0.64 [2H]C([2H])([2H])C(CCCC(C)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C([2H])([2H])[2H]
MolPort-006-116-478 0.64 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C
MolPort-046-762-448 0.64 C[C@H](CCCC(C)=C)[C@H]1CC[C@H]2C3=CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-683-738 0.64 [2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
MolPort-023-274-322 0.63 C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(C)=C
MolPort-002-354-428 0.63 CC(=O)C1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C
MolPort-046-687-439 0.63 CCCCCC(O)\C=C\C=C/CCCCCCCC(=O)OCC
MolPort-000-208-077 0.63 CC(=O)[C@@]1(O)CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-006-167-524 0.63 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-019-999-009 0.63 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-001-741-019 0.63 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)[C@H]([C@H](O)C(C)(C)C5CC[C@@]34C)C(O)=O)C12)C(O)=O
MolPort-000-252-835 0.63 CC1(C)C(=C)C2CCC1(C2)C(O)=O
MolPort-021-804-488 0.63 CC12CCC(CC1C(=C)CC(O)C2)C(=C)C(O)=O
MolPort-035-706-375 0.63 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H]([C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C(O)=O)[C@@H]12)C(O)=O
MolPort-005-945-548 0.63 CC(=C)C1CCC2(CCC3(C(CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C12)C(O)=O)C(O)=O
MolPort-046-790-506 0.63 CC(=O)CCC[C@]1(C)CC[C@H](CC1=O)C(=C)C(O)=O
MolPort-028-754-122 0.63 CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)[C@@]4(C)C(O)=O
MolPort-027-853-720 0.63 CC(\C=C\C=C(/C)C(O)=O)C1CCC2(C)C3CCC4C5(CC35CCC12C)CCC(=O)C4(C)C
MolPort-001-742-450 0.63 C[C@H]1CC[C@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(O)=O
MolPort-038-386-640 0.63 CC\C=C/CC(O)\C=C\C(=O)CCCCCCCCC(O)=O
MolPort-022-365-475 0.63 C\C=C\CCCC(O)=O
MolPort-019-940-199 0.63 CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-039-138-901 0.63 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-039-139-158 0.63 CCCCC[C@@H](O)\C=C\[C@H]1C[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(O)=O)C2(C)C
MolPort-001-837-773 0.63 CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C=C
MolPort-021-783-103 0.63 CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-019-857-808 0.63 CC12CCC3C(C)(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
MolPort-002-507-146 0.63 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-001-742-443 0.63 CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C
MolPort-003-941-070 0.63 CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-009-018-301 0.63 CCCCCC(=O)CC[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=O
MolPort-008-155-613 0.63 CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
MolPort-023-274-284 0.63 CC\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)C=CC1=O
MolPort-027-640-987 0.63 CCCCC[C@H](O)\C=C\[C@H]1C[C@H]2C[C@H](C2)[C@@H]1C\C=C/CCCC(O)=O
MolPort-039-138-852 0.63 CCCCC[C@H](O)\C=C\[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(O)=O
MolPort-027-640-923 0.63 CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O
MolPort-039-138-851 0.63 CCCCC[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1CCCCCCC(O)=O
MolPort-006-668-478 0.63 OCC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O
MolPort-002-507-411 0.63 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C=C
MolPort-027-641-344 0.63 CC\C=C/C[C@H]1[C@@H](CCCCCC(O)=O)C=CC1=O
MolPort-027-835-865 0.63 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-002-510-661 0.63 CC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-035-681-549 0.63 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-002-530-358 0.63 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-002-528-276 0.63 CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O
MolPort-035-706-198 0.63 CC(C)[C@@H]1[C@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
MolPort-002-525-852 0.63 C[C@@H]1CC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO
MolPort-001-741-222 0.63 CC\C=C/CC(O)C(O)CCC(O)CCCCCCCC(O)=O
MolPort-002-526-228 0.63 C[C@H]1C[C@H]2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-046-690-133 0.63 [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-000-738-106 0.63 CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@H]2C(=O)CO
MolPort-046-765-492 0.63 OCC\C=C/CC1C(CC(O)=O)CCC1=O
MolPort-046-764-826 0.63 [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-005-945-648 0.63 CC(C)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
MolPort-004-964-448 0.63 CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
MolPort-006-394-496 0.63 OC(CCCCCC\C=C/CCCCCCC#C)C(O)=O
MolPort-001-739-472 0.63 CCCCC\C=C/C\C=C/C(O)CCCCCCC(O)=O
MolPort-046-596-275 0.63 C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-005-934-866 0.63 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-006-394-855 0.63 [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-046-690-137 0.63 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-005-938-470 0.63 CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-046-793-264 0.63 CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
MolPort-046-763-158 0.63 CCCCC[C@H](O)\C=C\[C@H]1CC2CC(C2)[C@@H]1C\C=C/CCCC(O)=O
MolPort-003-959-213 0.63 CCCCC[C@H](O)\C=C\[C@H]1C[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(O)=O)C2(C)C
MolPort-000-739-076 0.63 C[C@H]1CC2C3CC[C@](O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
MCULE-1782460700 0.63 CC(C1(C2(C)C(C3C(CC2)C2(C)C(=CC(CC2)=O)C=C3)CC1)O)=O
MCULE-8239765173 0.63 [C@]12(C)CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
MCULE-3416956201 0.63 C1C=C2C(C(=O)O)C(CCCC2)=CC=1
MCULE-9661805986 0.63 C1CC2[C@]([C@H]([C@@H]1O)C)(C)C=C(C(C)=C)C(=O)C=2
MCULE-8903209433 0.63 C1C[C@]23C[C@@]42CC[C@]2(C)[C@]([C@@H](CCC(=C)C(C)C)C)([H])CC[C@@]2(C)[C@]4([H])CC[C@@]3([H])[C@@](C(=O)O)(C)[C@H]1O
MCULE-8974284912 0.63 CCC(C1(C(O)=O)CC=CC1)C
MCULE-3449539268 0.63 C1CC2(C3CCC4C5C(C(C)=C)CCC5(CCC4(C(O)=O)C3(C)CCC2C(C)(C1O)C(=O)O)C(O)=O)C
MCULE-6818941701 0.63 C1(O)CC2(C)CCC(C(=C)C(=O)O)CC2C(=C)C1
MCULE-5371407715 0.63 C12(CCC(C(=C)C1(C)C)C2)C(O)=O
MCULE-7654868641 0.63 CC(C(C1(C(O)=O)CC=CC1)C)C
MCULE-6879064173 0.63 C12C[C@@H](CC[C@H](C)[C@]1([H])CC(=O)C=2C)C(=C)C(O)=O
MCULE-3224437967 0.63 C1CC23CC42CCC2(C)C(C(/C=C/C=C(\C)/C(=O)O)C)CCC2(C)C4CCC3C(C)(C)C1=O
MCULE-6199732071 0.63 C1(=O)C[C@@]2([H])[C@H](C)C[C@@H](O)[C@@H](C(C)C)[C@@]2([H])C=C1C
MCULE-3688392585 0.63 O=C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
MCULE-1387376761 0.63 C12CCC(O)C1(C)CCC1=CC(=O)CCC21
MCULE-6552675485 0.63 C12(C)CCC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(C)=O)CCC12)C)=O
MCULE-6305022030 0.63 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-9935430898 0.63 C(C(CCCCCC)CC=CCCCCCCCC(OC)=O)(C)=O
MCULE-2147959975 0.63 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-9949303370 0.63 C(CO)(C1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-8879177648 0.63 OC(C1(CC=CCC1)CC1CC=CC1)=O
MCULE-3161766037 0.63 C(O)(C1=CCCCCCCCCC1)=O
MCULE-5054990207 0.63 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(CO)=O
MCULE-1873537798 0.63 C([C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O)=C[C@H](CCCCC)O
MCULE-8934502311 0.63 C1(=O)CCC2(C)C3CCC4(C)C(C(CO)=O)CCC4C3(C)CCC2=C1
MCULE-8251556719 0.63 [C@H]1(C/C=C\CCO)C(CC[C@@H]1CC(=O)O)=O
MCULE-1412596642 0.63 [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-8997971805 0.63 [C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(C)O)CCC12)=O
MCULE-8147130899 0.63 C(CCCCCC(=O)O)C(/C=C\C/C=C\CCCCC)O
MCULE-8197236760 0.63 CC12CCC3([H])C4(CCC(=O)C=C4C(C)CC3([H])C1([H])CCC2(O)C(=O)C)C
MCULE-3390693428 0.63 C12(C)CCC3C(C)(CCC(=O)C=3)C1(C)CCC1(C)C(CCC21C)C(CO)=O
MCULE-1251158415 0.63 [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-4839802180 0.63 [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-8005965492 0.63 [C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
MCULE-3135517908 0.63 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(C)=O
MCULE-4728366427 0.63 [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-1566569432 0.63 [C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(CC)O)CCC12)=O
MCULE-9922742805 0.63 C(C)/C=C\CC(O)C(O)CCC(CCCCCCCC(O)=O)O
MCULE-1785744667 0.63 C1(C[C@@]2([H])[C@H](C)C[C@H](O)[C@H]([C@@]2([H])C=C1C)C(C)C)=O
MCULE-9033649357 0.63 CCOC([C@@]1(CCC[C@@]2(C)[C@]1(CC=C1[C@@]2(CCC(C(C)C)=C1)[H])[H])C)=O
MCULE-1540616337 0.63 O=C1CCC2C1(C)CCC1C2CC=C2C=CCCC21C
MCULE-1652773504 0.63 C1(/CCC(C/1)C(O)=O)=C(\C)/C
MCULE-5049706558 0.63 C1(CC(O)=O)(C(O)CCC(=O)C1)C/C=C(\C)/CC(/C=C(\C)/C)=O
MolPort-006-114-068 0.63 [K+].C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)CCC([O-])=O
MolPort-003-666-334 0.63 [K+].C[C@]12CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)CCC([O-])=O
MolPort-003-987-059 0.63 CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
MolPort-039-339-170 0.63 C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1
MolPort-001-787-763 0.63 OC(=O)CC1CCC=C1
MolPort-002-910-713 0.63 OC(=O)C1C2CCC(C=C2)C1C(O)=O
MolPort-006-668-177 0.63 C\C(CCC1C(=C)CCC2C1(C)CC(O)CC2(C)C(O)=O)=C/C(O)=O
MolPort-028-754-128 0.63 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@]1(C)O)C(O)=O
MolPort-039-337-172 0.63 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@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O
MolPort-001-816-138 0.63 OC(=O)C1CC2CC=CC(C1)C2=O
MolPort-039-052-393 0.63 C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
MolPort-028-949-482 0.63 [Na+].OC(CCCC=C)CCCC([O-])=O
MolPort-039-052-624 0.63 CC(=C)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-039-338-305 0.63 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-039-052-495 0.63 CC(C)(O)[C@H](O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-002-135-152 0.63 OC(=O)C1C2CCCCC2=C2CCCCC2C1C(O)=O
MolPort-028-744-491 0.63 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)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-039-338-623 0.63 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@]1(C)O)C(O)=O
MolPort-039-338-119 0.63 C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
MolPort-020-005-924 0.63 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@@]34C)C2[C@H]1C)C(O)=O
MolPort-005-944-682 0.63 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@]1(C)O)C(O)=O
MolPort-044-193-687 0.63 CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(O)=O
MolPort-001-741-330 0.63 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
MolPort-035-705-871 0.63 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-002-522-872 0.63 CCOC(=O)[C@@]1(C)CC2C3=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C(=O)C1
MolPort-044-649-596 0.63 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-039-339-172 0.63 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-035-706-218 0.63 C[C@H]1CCC[C@]2(C)CC[C@H](C=C12)C(=C)C(O)=O
MolPort-042-675-253 0.63 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@](C)(CC(O)=O)C(CC[C@@]34C)C(C)(C)C(O)=O)[C@@H]2[C@]1(C)O)C(O)=O
MolPort-035-706-309 0.63 CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)C(=O)[C@]3(CC[C@@]21C)[C@@]4(C)CC(O)=O
MolPort-003-983-803 0.63 [K+].CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC([O-])=O)[C@H]12
MolPort-016-584-038 0.63 CC1(C(C2CCCCC2=C2CCCCC12)C(O)=O)C(O)=O
MolPort-028-599-742 0.62 O[C@H]1CC[C@@H]2C1CCC1=C3CCC(=O)C=C3CC[C@@H]21
MolPort-006-701-571 0.62 C[C@]12CCC3=C4CCC(=O)C=C4CCC3C1CCC2O
MolPort-035-706-289 0.62 C[C@@]12[C@H](CC[C@H]1[C@@H]1C=CC3=CC(=O)CC[C@]3(C)[C@H]1CC2=O)[C@H](O)CO
MolPort-046-701-687 0.62 CC(=O)C(O)C1(C)CCC2C3CCC4=CC(=O)CCC4=C3CCC12C
MolPort-002-510-832 0.62 C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3C1CC[C@@H]2O
MolPort-042-694-347 0.62 C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
MolPort-039-338-964 0.62 C[C@H](C\C=C\C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
MolPort-046-792-915 0.62 C[C@]12CCC3=C4CC[C@H](O)C=C4CC[C@H]3[C@H]1CCC2=O
MolPort-028-600-270 0.62 COC(=O)CC1=CC=CCC1(C)C
MolPort-022-368-244 0.62 CC1=CCC(C)(CC1)C(O)=O
MolPort-044-615-514 0.62 CC1=C(C)CC(C)(CC1)C(O)=O
MolPort-022-366-438 0.62 CC1=CCC(CC1)C(O)=O
MolPort-001-794-936 0.62 OC(=O)CC1=CCCCC1
MolPort-002-515-660 0.62 CCC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC=CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-002-678-933 0.62 CC1=C(C)CC(CC1)C(O)=O
MolPort-046-761-951 0.62 C\C=C1/CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-044-755-255 0.62 CC(=O)[C@]1(C)[C@H](O)CC2=C1CC[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@]12C
MCULE-1019761033 0.62 C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C[C@]2(O)C(=C)C1
MCULE-9678628720 0.62 C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C[C@@]2(O)C(=C)C1
MCULE-3339182305 0.62 C(=C)(C(O)=O)[C@]1(O)CC[C@@]2([C@]([H])(C(CCC2)=C)C1)C
MCULE-9998305986 0.62 CC(CC1(C(O)=O)CC=CC1)=C
MCULE-7916341231 0.62 [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-3209954130 0.62 C1[C@@H](CC[C@]2(CC[C@H](O)[C@]21C(=O)C)C)C(C(O)=O)=C
MCULE-6737121719 0.62 C1C[C@@]2(CC[C@@H](C(C(=O)O)=C)[C@@H]([C@@]2([H])C(C1)=C)O)C
MCULE-6563356566 0.62 OC(C1(C2CC2)CC=CC1)=O
MCULE-1937134104 0.62 C1CC2(C(CCC(C2CCC(CC(O)=O)C)=C)C(C1)(C(=O)OC)C)C
MCULE-5230788025 0.62 C1(=C(/CCCCCCCCCCCCC)\O)\C(=O)CC(CC\1=O)(C)C
MCULE-8828485995 0.62 C[C@]12CC[C@@]3([H])C(C(=O)CC[C@]3(C)[C@]1([H])[C@H](CC1=C([C@H](C)C[C@H](O)[C@@H](O)C(=C)C)CC[C@]21C)O)(C)C
MCULE-4243027733 0.62 C(O)(C1C(C)(C)C(C=CC(O)=O)(C)CC1)=O
MCULE-4737898468 0.62 [H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1C(C2)=O
MCULE-2797527002 0.62 C1(C(=O)O)=CCC(CCCCCC)CC1
MCULE-9150714373 0.62 C1(C(C)(C)CCCC=1C)C(O)=O
MCULE-8651982947 0.62 C(C)(C1(O)C(=C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
MCULE-2400907851 0.62 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
MCULE-3023348221 0.62 C1(C)(CC2CC1C=C2)C(O)=O
MCULE-7184031760 0.62 C[C@]12CC[C@@]3([H])C(C(=O)CC[C@]3(C)[C@]1([H])[C@H](CC1=C([C@H](C)C[C@H](O)[C@@H](O)C(O)(C)C)CC[C@]21C)O)(C)C
MCULE-3473010637 0.62 O=C1CCC2(C)C3C(O)CC4(C)CCCC4C3CCC2=C1
MCULE-5897136444 0.62 [C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)OC
MCULE-2959266522 0.62 CCCCCCCC(O)/C=C\C(CCC(O)CCCC(=O)O)O
MCULE-5677861178 0.62 [C@H]1(C(O)=O)[C@]2([H])C[C@]([H])(C1)C=C2
MCULE-8843751953 0.62 [C@]12([H])[C@]3([H])[C@](/C=C/C=C(\C)/C=O)(C)[C@]3([H])CCC(=C)[C@]1([H])CC[C@]2(C)O
MCULE-8877595522 0.62 [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-9765892541 0.62 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
MCULE-1857694923 0.62 [C@@]12([H])C[C@@]([H])(C=C1)C[C@@H]2C(O)=O
MCULE-2570487264 0.62 OC(C1C2C=CC(C2)C1)=O
MCULE-4914143446 0.62 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-9857200349 0.62 C1(CCC(CC=1)C(C)(C)C)C(O)=O
MCULE-7263057263 0.62 CCCCCCCCCC(CCC/C=C\C=C\C(=O)O)=O
MCULE-1153477483 0.62 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-5757363366 0.62 C12C3C4C=CCC4C1C(C)(C(OC)=O)C1C4CCC5(C)C(O)C3(C)C(C45)C21
MCULE-5183068201 0.62 C(CCCCCCCC=CCC(CCCCCC)O)(OC)=O
MCULE-8721851502 0.62 [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-9341959688 0.62 [C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@]1([H])CC=CC[C@@]21C(C)=O)[H]
MCULE-4753796367 0.62 C1(O)CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C)(C1)C(O)=O)C
MCULE-4589748840 0.62 NC(C(O)=O)CC1C2C=CC(CC2)C1
MCULE-6672254923 0.62 C(=O)(O)C(C)(C)C1CC[C@@]2(C(CC=C3[C@]4([H])[C@@](O)(C)[C@H](C)CC[C@]4(C(=O)O)CC[C@@]23C)[C@@]1(C)CC(=O)O)C
MCULE-1291038880 0.62 C[C@H](CCC(=O)OC)[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@](C[C@@H](CC2)O)([H])C(=CC)C3=O)[H])([H])CC1
MCULE-3885425015 0.62 [C@H]1(C[C@@]2([C@@]3([H])CC=C4[C@]5([C@](CC[C@@]4(C)[C@]3(C)C[C@H]([C@@]2([H])[C@](CO)([C@H]1O)C)O)(C(=O)O)CC[C@@H](C)[C@@H]5C)[H])C)O
MCULE-9700928997 0.62 C12CCCCC1C(C(O)=O)C(C1CCCCC=21)C(O)=O
MCULE-2496014695 0.62 C1(C)(C(O)=O)C2CCCCC2=C2C(CCCC2)C1C(O)=O
MCULE-2721005128 0.62 C1CC2(C(CC=1)(C(O)=O)CCCC2)CC(O)=O
MCULE-2458381576 0.62 C1C2C(=O)C(CC(C(=O)O)C2)C=C1
MCULE-3560182453 0.62 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-1352194754 0.62 C1CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
MCULE-8041079323 0.62 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-2196052177 0.62 [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-7173744939 0.62 C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C=C2[C@@H](C)C1
MCULE-4522488137 0.62 [C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-4929710192 0.62 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-8297574712 0.62 C1(C2CCC(C=C2)C1C(O)=O)C(O)=O
MCULE-7890127494 0.62 C12CCC(=O)C(C)=C1C=CC1CC(O)C(O)CC21
MCULE-4428281439 0.62 C1C[C@]2(C)[C@@]3([H])CC(=O)[C@]4(C)[C@@]([H])([C@@H](CO)O)CC[C@@]4([H])[C@]3([H])C=CC2=CC1=O
MCULE-6191127237 0.62 O=C1CCC2C(=C1C)C=CC1(C)C2CC(O)C(O)C1
MCULE-1348157475 0.62 C12CCC3[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CCC=21)O
MCULE-3791135846 0.62 [C@]12(C)CC[C@]3([C@@]([H])(CC(C4=CC=CC[C@]34C)=O)[C@]1([H])CC[C@@H]2[C@H](C)CCC(CC)C(C)C)[H]
MCULE-3212175174 0.62 C1(C)(CCC(=C(C)C1)C)C(O)=O
MCULE-5737442401 0.62 OC(C(C#N)CC1CC=CC1)=O
MCULE-9625022025 0.62 CC1CCC(C(=O)O)(C)CC=1
MCULE-7880412465 0.62 C(O)(C(C1CCCC=1)CCC)=O
MCULE-9909477927 0.62 OC(CC1CCCCC=1)=O
MCULE-6601751883 0.62 C1(C)CC(CCC=1C)C(O)=O
MCULE-8045534685 0.62 C(O)(C(CC)C1CCCCC=1)=O
MCULE-3634019791 0.62 CC1CC(CC/C=C(\C)/C)C(O)CC1
MCULE-4533311081 0.62 CC1CC(CC/C=C(\C)/C)C(=O)CC1
MCULE-6675572295 0.62 C/C(/C)=C/CC[C@H]1[C@@](O)(C)CCCC1
MCULE-1243509764 0.62 C/C(/C)=C/CCC1C(=O)CCCC1
MCULE-4119972169 0.62 O=CC1(CCCCC1)CC1CC=CC1
MCULE-5812699460 0.62 OCC1(CCCCC1)CC1CC=CC1
MCULE-9964577766 0.62 CC1CC(CC2CC=CC2)C(=O)CC1
MCULE-1988512755 0.62 C/C(/C)=C/CCC1C(O)(C)CCCC1
MCULE-9566632126 0.62 CC1C(C=O)(CC2CC=CC2)CCCC1
MCULE-7136129743 0.62 CC1CC(C=O)(CC2CC=CC2)CCC1
MCULE-3492445798 0.62 C/C(/C)=C/CCC1C(O)CCCC1
MCULE-5809713750 0.62 [C@@H]1(O)C(=C)CC[C@@H](C(C)C)C=CC(=C)CC1