| MolPort-039-338-334 |
0.92 |
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 |
0.92 |
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-5844706578 |
0.92 |
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 |
0.92 |
C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@](C(O)=O)(C)C1
|
|
| MolPort-002-526-712 |
0.84 |
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
|
|
| MCULE-3588534045 |
0.82 |
C12(C)CCCC(C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
|
|
| MCULE-3788851533 |
0.82 |
[C@]12(C)CCC[C@@](C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
|
|
| MolPort-045-901-862 |
0.82 |
CC(C)C1=CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1
|
|
| MolPort-002-511-643 |
0.82 |
CC(C)C1=CCC2C(CCC3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1
|
|
| MolPort-006-169-924 |
0.80 |
CCCCC\C=C/C=C/CCCCCCCCC(O)=O
|
|
| MolPort-009-018-846 |
0.80 |
CCCCC\C=C/C=C\CCCCCCCCC(O)=O
|
|
| MolPort-046-689-149 |
0.80 |
CCCCC\C=C\C=C\CCCCCCCCC(O)=O
|
|
| MolPort-009-018-862 |
0.80 |
CCCCCC\C=C\C=C/CCCCCCCC(O)=O
|
|
| MCULE-5453524094 |
0.78 |
OC(C1CC(CC2CC=CC2)(O)C1)=O
|
|
| MCULE-5733786329 |
0.78 |
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-5339139192 |
0.78 |
[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-1068095495 |
0.78 |
OC1(CCC(=O)CC1)CC1CC=CC1
|
|
| MolPort-039-338-507 |
0.78 |
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-046-509-001 |
0.78 |
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-039-139-043 |
0.77 |
CCCC\C=C\C=C\C=C/CCCCCCCC(O)=O
|
|
| MolPort-039-338-320 |
0.77 |
C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
|
|
| MolPort-001-740-913 |
0.77 |
C[C@@]1(CCC2C(C1)=CCC1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
|
|
| MolPort-044-561-305 |
0.77 |
CCCCC\C=C/C=C/C=C\CCCCCCC(O)=O
|
|
| MolPort-006-111-740 |
0.77 |
CCCC\C=C\C=C\C=C\CCCCCCCC(O)=O
|
|
| MolPort-001-781-437 |
0.76 |
CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(O)=O)C2CC1
|
|
| MolPort-035-683-228 |
0.76 |
CC(C)C1=CC2=CCC3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
|
|
| MolPort-002-507-350 |
0.76 |
CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
|
|
| MolPort-028-606-852 |
0.76 |
CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C([O-])=O)C2CC1
|
|
| MolPort-023-221-456 |
0.76 |
CC(C)C1=CC2=CCC3[C@](C)(CCC[C@]3(C)C(O)=O)[C@@H]2CC1
|
|
| MCULE-1541926426 |
0.76 |
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-9335291007 |
0.76 |
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
|
|
| MolPort-039-338-560 |
0.75 |
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-039-338-508 |
0.75 |
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-039-339-024 |
0.75 |
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-039-338-563 |
0.75 |
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
|
|
| MCULE-8824898935 |
0.75 |
C(CC(C(C)C)/C=C/C(=C)CCC(=O)O)C(=O)C
|
|
| MCULE-8439103614 |
0.75 |
OC1C(C2(C(O)=O)CC=CC2)CCCC1
|
|
| MCULE-9085462824 |
0.75 |
OC(C1C(CC2CC=CC2)CCCC1)=O
|
|
| MolPort-021-804-810 |
0.75 |
CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
|
|
| MolPort-039-338-562 |
0.74 |
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-046-690-128 |
0.74 |
CC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C
|
|
| MolPort-046-793-096 |
0.74 |
CC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-339-168 |
0.74 |
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-039-338-149 |
0.74 |
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-035-706-545 |
0.74 |
C\C(C=C)=C/C[C@H]1C(=C)CC[C@H]2[C@@](C)(CO)CCC[C@]12C
|
|
| MCULE-6354515204 |
0.74 |
C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=O)C(=C)CC[C@@]2([H])[C@@](C(O)=O)(C)C1
|
|
| MCULE-2562092030 |
0.74 |
C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@](CO)(C)C1
|
|
| MolPort-035-706-317 |
0.74 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
|
|
| MolPort-002-134-879 |
0.74 |
OC(=O)C1C2CC\C=C\CC\C=C/CCC12
|
|
| MolPort-039-338-445 |
0.74 |
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-035-683-013 |
0.74 |
OC(=O)C1C2CC\C=C/CC\C=C/CCC12
|
|
| MolPort-006-668-454 |
0.73 |
CCCCCC(=O)\C=C\C=C/CCCCCCCC(O)=O
|
|
| MolPort-046-594-326 |
0.73 |
CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
|
|
| MolPort-035-706-326 |
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)(C[C@H](O)[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-005-944-603 |
0.73 |
CCCCCC\C=C/C=C/C(O)CCCCCCC(O)=O
|
|
| MolPort-023-220-689 |
0.73 |
C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
|
|
| MolPort-035-706-224 |
0.73 |
CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
|
|
| MolPort-001-740-393 |
0.73 |
CCCCC\C=C\C=C\C(O)CCCCCCCC(O)=O
|
|
| MolPort-039-338-094 |
0.73 |
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-046-788-529 |
0.73 |
CC(=O)\C=C\C=C\CCCCCCC(O)=O
|
|
| MolPort-039-052-607 |
0.73 |
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-044-561-076 |
0.73 |
CCCCC\C=C\C=C\C(=O)CCCCCCCC(O)=O
|
|
| MolPort-035-706-502 |
0.73 |
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-039-052-646 |
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)(C[C@@H](O)[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-038-948-537 |
0.73 |
CCCCC=C1CCC(CC(O)=O)CC1
|
|
| MolPort-038-948-469 |
0.73 |
CCC=CC1CCC(CC1)C(O)=O
|
|
| MCULE-6685866242 |
0.73 |
C(C(=O)O)CCCCCCC(O)/C=C/C=C/CCCCC
|
|
| MCULE-2582517969 |
0.73 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C
|
|
| MCULE-9853941800 |
0.73 |
CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
|
|
| MCULE-1248316974 |
0.73 |
C/C(/C)=C/CCC1(CCC(=O)CC1)O
|
|
| MCULE-9234552398 |
0.73 |
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 |
0.73 |
C1/C(/C(CC[C@@H]1O)=C)=C/C=C1/[C@]2([H])CC[C@H]([C@@H](C(=O)O)C)[C@@]2(C)CCC/1
|
|
| MolPort-046-508-998 |
0.72 |
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-046-141-505 |
0.72 |
OC(=O)C1CC2CC=CC(C2)C1
|
|
| MolPort-038-941-702 |
0.72 |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
|
|
| MolPort-046-594-431 |
0.72 |
CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
|
|
| MolPort-016-633-342 |
0.72 |
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-028-754-126 |
0.72 |
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-016-633-333 |
0.72 |
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-039-338-325 |
0.72 |
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-001-742-271 |
0.72 |
C\C(CC[C@H]1[C@](C)(O)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O)=C\CO
|
|
| MolPort-046-697-161 |
0.72 |
CCC\C=C\C=C\C1CC(O)C(O)(C1CO)C(O)=O
|
|
| MCULE-6829909415 |
0.72 |
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-6424725551 |
0.72 |
C1C[C@@](C2CC[C@](C)([C@@H]([C@@]2(C)C1)CC/C(/C)=C\CO)O)(C(O)=O)C
|
|
| MCULE-5113003290 |
0.72 |
OC(C1CC2CC(CC=C2)C1)=O
|
|
| MCULE-3664047551 |
0.72 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-9341616847 |
0.72 |
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-7147126046 |
0.72 |
C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
|
|
| MCULE-4504483614 |
0.72 |
C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
|
|
| MCULE-5025931577 |
0.72 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
|
|
| MCULE-5327458615 |
0.72 |
CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
|
|
| MCULE-9998858745 |
0.72 |
C1(/C=C/C=C/CCC)C(CO)C(C(=O)O)(O)C(O)C1
|
|
| MCULE-1438242882 |
0.72 |
C(O)(=O)C[C@@](CC/C=C(/C)\C)(C)[H]
|
|
| MCULE-3455137708 |
0.72 |
C(O)(CC(C)CC/C=C(/C)\C)=O
|
|
| MCULE-2705141143 |
0.72 |
[C@@]12(C)[C@@H](C)CCCC1=CC[C@H](C2)C(=C)C(O)=O
|
|
| MCULE-7626806338 |
0.72 |
C1CC2(C)C3CC=C4C5C(C)C(C)C(O)CC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-8342191825 |
0.72 |
C1(=C(C)C)C2CCC1C(C2C(O)=O)C(O)=O
|
|
| MCULE-2411412323 |
0.72 |
C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(=C)C1)C3)C
|
|
| MCULE-1877150050 |
0.72 |
C12(C)CCC(O)CC1=CCC1C2CCC2(C)C(CCC21)(O)CCC(O)=O
|
|
| MCULE-1918074338 |
0.72 |
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-003-930-561 |
0.72 |
C[C@H](CCC=C(C)C)CC(O)=O
|
|
| MolPort-001-792-025 |
0.72 |
CC(CCC=C(C)C)CC(O)=O
|
|
| MolPort-001-740-226 |
0.72 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC=C21)C(=C)C3)C(O)=O
|
|
| MolPort-035-706-314 |
0.72 |
CC(=C)[C@@H]1CC[C@@H]2C(=CC[C@]3(C)C(=O)CC[C@@]23C)[C@@]1(C)CCC(O)=O
|
|
| MolPort-044-562-375 |
0.72 |
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-001-533-939 |
0.72 |
CC(C)=C1C2CCC1C(C2C(O)=O)C(O)=O
|
|
| MolPort-001-742-389 |
0.72 |
C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(O)=O
|
|
| MolPort-046-627-162 |
0.72 |
CC1C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O
|
|
| MolPort-046-196-011 |
0.72 |
[Fe++].[CH-]1C=CC=C1.OC(=O)CCC(=O)[C-]1C=CC=C1
|
|
| MolPort-027-640-984 |
0.71 |
CCCCC\C=C/C=C1\[C@@H](C\C=C/CCCC(O)=O)CCC1=O
|
|
| MolPort-020-005-730 |
0.71 |
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-039-338-287 |
0.71 |
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
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|
| MolPort-003-663-637 |
0.71 |
OC(=O)C1CCC\C=C/CC1
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|
| MolPort-046-153-098 |
0.71 |
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
|
|
| MCULE-1670830332 |
0.71 |
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 |
0.71 |
OC(C1(CC2C(C2)C1)CC1CC=CC1)=O
|
|
| MCULE-9038165616 |
0.71 |
CC(C(O)=O)CC1C2C=CC(CC2)C1
|
|
| MCULE-1202438669 |
0.71 |
C1C=CCCC(C(O)=O)CC1
|
|
| MCULE-4778256781 |
0.71 |
C(O)(=O)CC[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(C)=C
|
|
| MCULE-6641232569 |
0.71 |
CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
|
|
| MCULE-1755461261 |
0.71 |
[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-4871834352 |
0.71 |
OC(C1(CC=CC1)CC1(CCCC1)O)=O
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|
| MCULE-8374913301 |
0.71 |
CC1(C(C2(C(O)=O)CC=CC2)CCC1)O
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|
| MCULE-2674225616 |
0.71 |
OC1C(C2(C(O)=O)CC=CC2)CCC1
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|
| MCULE-7400696054 |
0.71 |
C12C3C4C5C1C=CC5C2C4C(C(O)=O)C3C(O)=O
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|
| MCULE-6884173238 |
0.71 |
CC1C(C(O)=O)(CC2CC=CC2)CCC1
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|
| MCULE-1046270451 |
0.71 |
OC(CCCCCCCC=CCCCCCCCC(=O)O)=O
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| MCULE-3248745724 |
0.71 |
C(CCCCCCCC)=CCCCCCCCCCCCC(=O)O
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| MCULE-3553508294 |
0.71 |
OC(C1C(CC2CC=CC2)CC1)=O
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| MCULE-9547538729 |
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CCCCCCCCC=CCCCCCCCC(O)=O
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0.71 |
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
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| MCULE-7592205580 |
0.71 |
C(/CCCCCC(C)CC)=C/CCCCC(O)=O
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|
| MCULE-4596209637 |
0.71 |
CC1CC(C(O)=O)(CC2CC=CC2)CC1
|
|
| MCULE-8798348917 |
0.71 |
C(CCCCCCC(=O)O)CCCCCC/C=C\CCCCCCCC
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|
| MCULE-6044533117 |
0.71 |
OC(CCCCCCC/C=C\CCCCCCCC)=O
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|
| MCULE-9914820446 |
0.71 |
C(/CCCCCCC(C)C)=C/CCCCC(O)=O
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|
| MCULE-5077473579 |
0.71 |
C(CCCCCCC(=O)O)CCCC/C=C\CCCCCC
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|
| MCULE-3005532858 |
0.71 |
OC(C1(CCC1)CC1CC=CC1)=O
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| MCULE-2896292130 |
0.71 |
OC(C1(CC1)CC1CC=CC1)=O
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|
| MCULE-7761893081 |
0.71 |
C(CCCCCC(=O)O)CC/C=C\CCCCCCCC
|
|
| MCULE-8054022250 |
0.71 |
C(CCCCCCCCC=CCCCCCC)(O)=O
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|
| MCULE-3046418352 |
0.71 |
CCCCCCCC/C=C/CCCCCCCC(=O)O
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| MCULE-7702176615 |
0.71 |
CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
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| MCULE-1501068987 |
0.71 |
C1(C(CC(O)C1O)/C=C/C=C/CCC)C(=O)O
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0.71 |
CC(C)=CCCC1=CCC(C(C1)C(O)=O)C(O)=O
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CCCCCC\C=C\CCCCCCCCCC(O)=O
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| MolPort-006-169-615 |
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CCCCCC\C=C\CCCCCCCC(O)=O
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CCCCCCC=CCCCCCCCC(O)=O
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CCCCCCCC\C=C\CCCCCCCC(O)=O
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CCCCCCCCC=CCCCCCCCCCCCC(O)=O
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CCCCCCCCCCC\C=C/CCCCCCC(O)=O
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OC(=O)CCCCCCCC=CCCCCCCCC(O)=O
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CCCCCCCCCCC\C=C\CCCCC(O)=O
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OC(=O)CCCCCCC\C=C\CCCCCCCC(O)=O
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0.71 |
CCCCC\C=C/CCCC\C=C/CCCCCCC(O)=O
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| MolPort-001-739-604 |
0.71 |
CC(C)CCCCCC\C=C/CCCCC(O)=O
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|
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CCCCCC\C=C/CCCCCCCCCC(O)=O
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|
| MolPort-003-959-363 |
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CCCCCCCCCCC\C=C/CCCCC(O)=O
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| MolPort-003-959-025 |
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CCCCCCCC\C=C/CCCCCCCCC(O)=O
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| MolPort-003-958-761 |
0.71 |
CCCC\C=C\CCCCCCCC(O)=O
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CCCCCCCC\C=C\CCCCCCCCCCCC(O)=O
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| MolPort-003-958-711 |
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CCCC\C=C/CCCCCCCC(O)=O
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| MolPort-003-941-733 |
0.71 |
CCCCCC\C=C/CCCCCCCCC(O)=O
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| MolPort-003-941-268 |
0.71 |
CCCCCC\C=C/CCCCCCCCCCCC(O)=O
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|
| MolPort-021-804-454 |
0.71 |
CCC(C)CCCCC\C=C/CCCCC(O)=O
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| MolPort-001-788-274 |
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CCCCCCCC\C=C/CCCCCCCC(O)=O
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|
| MolPort-044-727-743 |
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CCCC\C=C\CCCCCCCCC(O)=O
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| MolPort-046-763-123 |
0.71 |
CCCC\C=C/CCCCCCCCCC(O)=O
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| MolPort-003-933-468 |
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CCCCCCCC\C=C/CCCCCCCCCCCC(O)=O
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| MolPort-001-740-137 |
0.71 |
CCCCCC\C=C/CCCCCCCC(O)=O
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|
| MolPort-003-849-687 |
0.71 |
CCCCCCCCC=CCCCCCCCC(O)=O
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| MolPort-044-727-744 |
0.71 |
CCCCCC\C=C\CCCCCCCCC(O)=O
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|
| MolPort-003-925-831 |
0.71 |
CCCCCCCC\C=C\CCCCCCCCCC(O)=O
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| MolPort-003-933-186 |
0.71 |
CCCCCCCC\C=C/CCCCCCCCCC(O)=O
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|
| MolPort-009-019-050 |
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CCCCCCCC\C=C/CCCCCC(O)=O
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|
| MolPort-009-019-234 |
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CCCCC\C=C/CCCCCCCCCCCCC(O)=O
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|
| MolPort-003-939-503 |
0.71 |
CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O
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|
| MolPort-035-882-134 |
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CCCC\C=C/CCCCCCCCC(O)=O
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|
| MolPort-001-739-399 |
0.71 |
CCC\C=C\C=C\C1CC(O)C(O)C1C(O)=O
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0.70 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
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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
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|
| MolPort-044-637-537 |
0.70 |
CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O
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|
| MolPort-044-637-536 |
0.70 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O
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|
| MolPort-039-338-736 |
0.70 |
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
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|
| MolPort-039-339-207 |
0.70 |
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
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|
| MolPort-044-727-594 |
0.70 |
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
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|
| MolPort-046-153-799 |
0.70 |
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-023-298-927 |
0.70 |
CCC(=O)\C=C\C=C\C=C\C(=O)CCCCCCCC(O)=O
|
|
| MolPort-005-944-674 |
0.70 |
CCCCCCCCC(=O)\C=C\C=C\C(=O)CCCC(O)=O
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|
| MolPort-035-706-391 |
0.70 |
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-001-739-398 |
0.70 |
CCC\C=C\C=C\C1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO
|
|
| MCULE-4320729921 |
0.70 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
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|
| MCULE-3655330509 |
0.70 |
OC(C(O)=O)CC1C2C=CC(CC2)C1
|
|
| MCULE-6190365385 |
0.70 |
C(O)(CC1(C)C(CC(O)=O)(CC=C2C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12)[H])=O
|
|
| MCULE-4790948193 |
0.70 |
OC(=O)CCCCCCCC(/C=C/C=C/C=C/C(=O)CC)=O
|
|
| MCULE-5507744017 |
0.70 |
C1([C@H](CO)C(=O)[C@H](O)[C@H](O)C1)/C=C/C=C/CCC
|
|
| MCULE-8100043699 |
0.70 |
O=CC1C(/C=C/C=C/CCC)CC(O)C(O)C1=O
|
|
| MCULE-1190191150 |
0.70 |
OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
|
|
| MCULE-3541967763 |
0.70 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
|
|
| MCULE-7399965638 |
0.70 |
CCC/C=C/C=C/C(CC(O)=O)CCC(=O)O
|
|
| MolPort-035-706-341 |
0.70 |
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-038-386-725 |
0.70 |
CCC\C=C\C=C\C(CCC(O)=O)CC(O)=O
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|
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0.69 |
CC1C2C3=CCC4C5(C)C[C@@H](O)[C@H](O)C(C)(CO)C5CCC4(C)C3(C)CCC2(CCC1=C)C(O)=O
|
|
| MolPort-035-706-461 |
0.69 |
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-006-118-208 |
0.69 |
[Na+].CCCCCC\C=C/CCCCCCCC([O-])=O
|
|
| MolPort-046-153-713 |
0.69 |
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-006-111-035 |
0.69 |
[K+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
|
|
| MolPort-006-111-036 |
0.69 |
[Na+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
|
|
| MolPort-044-831-841 |
0.69 |
OC(=O)CC1CCC=CCC1
|
|
| MolPort-035-706-395 |
0.69 |
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
|
|
| MolPort-028-962-365 |
0.69 |
CC(O)CO.CCCCCCCC\C=C/CCCCCCCC(O)=O
|
|
| MolPort-044-723-428 |
0.69 |
[Na+].CCCCCCCCC=CCCCCCCCC([O-])=O
|
|
| MolPort-046-788-533 |
0.69 |
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-006-116-655 |
0.69 |
[Bi+3].CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O
|
|
| MCULE-1049317957 |
0.69 |
[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-9966885116 |
0.69 |
[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-6262778979 |
0.69 |
OC1(C(CC2CC=CC2)=O)CCCCC1
|
|
| MCULE-3222494622 |
0.69 |
C12CCC3C(C3CCC=CCCC1C2C(O)=O)C(O)=O
|
|
| MCULE-2467601128 |
0.69 |
C1(CCCCCCCCCCCCC(=O)O)C=CCC1
|
|
| MCULE-2611969931 |
0.69 |
[C@@H]1(CCCCCCCCCCCCC(=O)O)C=CCC1
|
|
| MCULE-4188975486 |
0.69 |
O=C(CCCCCCCC=CCCCCCCCC)[O-].[K+]
|
|
| MCULE-2893862044 |
0.69 |
[Na+].C(CCCCCC([O-])=O)CC=CCCCCCCCC
|
|
| MCULE-2451101251 |
0.69 |
C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
|
|
| MCULE-8297574712 |
0.69 |
C1(C2CCC(C=C2)C1C(O)=O)C(O)=O
|
|
| MCULE-9700928997 |
0.69 |
C12CCCCC1C(C(O)=O)C(C1CCCCC=21)C(O)=O
|
|
| MCULE-2496014695 |
0.69 |
C1(C)(C(O)=O)C2CCCCC2=C2C(CCCC2)C1C(O)=O
|
|
| MCULE-4753796367 |
0.69 |
C1(O)CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C)(C1)C(O)=O)C
|
|
| MCULE-6713995732 |
0.69 |
C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C3=CCC2C(C)(C)C1=O
|
|
| MCULE-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-5049706558 |
0.69 |
C1(CC(O)=O)(C(O)CCC(=O)C1)C/C=C(\C)/CC(/C=C(\C)/C)=O
|
|
| MolPort-021-804-631 |
0.69 |
CC1(CCCC2(C)C1CCC13CC(CO)C(C1)CC=C23)C(O)=O
|
|
| MolPort-039-052-704 |
0.69 |
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-035-706-406 |
0.69 |
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-006-668-177 |
0.69 |
C\C(CCC1C(=C)CCC2C1(C)CC(O)CC2(C)C(O)=O)=C/C(O)=O
|
|
| MolPort-002-135-152 |
0.69 |
OC(=O)C1C2CCCCC2=C2CCCCC2C1C(O)=O
|
|
| MolPort-002-910-713 |
0.69 |
OC(=O)C1C2CCC(C=C2)C1C(O)=O
|
|
| MolPort-039-338-146 |
0.69 |
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-016-584-038 |
0.69 |
CC1(C(C2CCCCC2=C2CCCCC12)C(O)=O)C(O)=O
|
|
| MolPort-046-153-162 |
0.69 |
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
|
|
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0.69 |
CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
|
|
| MolPort-046-688-988 |
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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
|
|
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0.69 |
[K+].C[C@]12CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)CCC([O-])=O
|
|
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0.69 |
[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
|
|
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CC(C)\C=C/CCCCC(O)=O
|
|
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0.68 |
CC(C)\C=C\CCCCC(O)=O
|
|
| MolPort-005-945-582 |
0.68 |
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-038-386-024 |
0.68 |
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
|
|
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0.68 |
C\C(CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O)=C/CO
|
|
| MolPort-005-945-090 |
0.68 |
C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C\CO
|
|
| MolPort-039-338-737 |
0.68 |
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-038-386-525 |
0.68 |
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-006-069-138 |
0.68 |
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-006-069-379 |
0.68 |
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-035-706-174 |
0.68 |
C[C@H]1CC[C@H](CC=C1CCC(C)=O)C(=C)C(O)=O
|
|
| MolPort-035-706-383 |
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]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-028-745-366 |
0.68 |
CC(C)=CCCC1=CCC(CC1)C(O)=O
|
|
| MolPort-019-936-806 |
0.68 |
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
|
|
| MCULE-9153738942 |
0.68 |
C(CCCCC=CC(C)C)(O)=O
|
|
| MCULE-1085165933 |
0.68 |
[C@]12(C)CCC[C@](C)(C(=O)O)[C@]1([H])CCC(=C)[C@@H]2CCC(C)=CCO
|
|
| MCULE-1283574747 |
0.68 |
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-8629297693 |
0.68 |
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-5267198059 |
0.68 |
OC(C1(CC=CC1)CC1CCCCC1)=O
|
|
| MCULE-8056155072 |
0.68 |
C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O
|
|
| MCULE-5702475533 |
0.68 |
C12(CCC(C1(C)C)(C([H])=C([H])C13CCC(C1(C)C)(C(O)=O)C3)C2)C(O)=O
|
|
| MCULE-4851646103 |
0.68 |
CC1CCC(C2(C(O)=O)CC=CC2)CC1
|
|
| MCULE-2817082882 |
0.68 |
C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/CO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
|
|
| MCULE-9513706661 |
0.68 |
C1CC2(C(CCC(C2CC/C(=C\CO)/C)=C)C(C1)(C(=O)O)C)C
|
|
| MCULE-5384515579 |
0.68 |
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-8500547238 |
0.68 |
CC1CC(C2(C(O)=O)CC=CC2)CCC1
|
|
| MCULE-1509278335 |
0.68 |
[C@H]1(C(=C)C(=O)O)CC=C(CCC(=O)C)[C@@H](C)CC1
|
|
| MCULE-7490068037 |
0.68 |
C1(=C)C2CCCC1CC(C(O)=O)C2
|
|
| MCULE-3259621922 |
0.68 |
C(O)(CC1CCCC(=C)C1)=O
|
|
| MCULE-9520777832 |
0.68 |
C(O)(=O)C1CCC(CC1)=C
|
|
| MolPort-009-196-248 |
0.67 |
OC(=O)C1CCC(=C)CC1
|
|
| MolPort-022-366-503 |
0.67 |
OC(=O)CC1CCC=CC1
|
|
| MolPort-044-754-112 |
0.67 |
C[C@@H](O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C
|
|
| MolPort-046-508-765 |
0.67 |
OC(=O)C[C@H]1CCC=CC1
|
|
| MolPort-046-589-760 |
0.67 |
CCCCCCCC\C=C/CCCCCCC(O)C(O)=O
|
|
| MolPort-042-675-485 |
0.67 |
OC\C=C\CCCCCCCC(O)=O
|
|
| MolPort-002-506-868 |
0.67 |
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-002-510-407 |
0.67 |
C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
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|
| MolPort-001-785-925 |
0.67 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(O)=O
|
|
| MolPort-038-386-610 |
0.67 |
C\C(CO)=C/CCC(CO)C1CCC2(C)C3CCC(C(=C)CO)C4(CCC(O)=O)CC34CCC12C
|
|
| MolPort-046-596-232 |
0.67 |
CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-176-718 |
0.67 |
CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-035-706-450 |
0.67 |
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
|
|
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0.67 |
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-002-509-462 |
0.67 |
C[C@@H]([C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
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|
| MolPort-035-785-285 |
0.67 |
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-596-323 |
0.67 |
CC(C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
|
|
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0.67 |
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
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|
| MolPort-035-706-444 |
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]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-035-706-445 |
0.67 |
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]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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|
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0.67 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5C(O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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|
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0.67 |
CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
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|
| MolPort-021-804-809 |
0.67 |
CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
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|
| MolPort-039-052-516 |
0.67 |
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-009-019-140 |
0.67 |
CCCC\C=C\C=C/C=C/CCCCCCCC(=O)OC
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|
| MolPort-044-754-151 |
0.67 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C[C@H](O)[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
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|
| MolPort-039-338-222 |
0.67 |
C[C@]1(CCC[C@]2(C)[C@@H]1[C@@H](O)C[C@@]13C[C@@H](CC=C21)C(=C)C3=O)C(O)=O
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|
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0.67 |
COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
|
|
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0.67 |
CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O
|
|
| MCULE-1528374574 |
0.67 |
OC(C1(CCC1)CC1CC=CCC1)=O
|
|
| MCULE-1183560917 |
0.67 |
C1(=O)C[C@@]2([C@]([H])(C/C/1=C(\C)/C)[C@@]2([H])CC[C@H](O)C)C
|
|
| MCULE-4002345426 |
0.67 |
C1(CCCC(=CCC2C(C)(CCC2C(=C)C)CC1)C)C(=O)O
|
|
| MCULE-7053911643 |
0.67 |
C(O)(=O)CC1C(CC=CC)CC(C1)=O
|
|
| MCULE-5859140606 |
0.67 |
CC1CC(C(O)=O)(CC2CC=CCC2)C1
|
|
| MCULE-6935719222 |
0.67 |
OC(C1C(CC2CC=CCC2)CCC1)=O
|
|
| MCULE-7270634760 |
0.67 |
OC(C1C(CC2CC=CCC2)CC1)=O
|
|
| MCULE-6413909495 |
0.67 |
CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
|
|
| MCULE-2170508823 |
0.67 |
C12C3C4C5C1C(C1C5C(C4CC3CC(O)=O)CC1CC(O)=O)C=C2
|
|
| MCULE-7417377682 |
0.67 |
OC(C1(CC1)CC1CC=CCC1)=O
|
|
| MCULE-4980717954 |
0.67 |
C1CC(C)(CC(O)=O)C(C)(CC(=O)O)CC=1
|
|
| MCULE-8765746285 |
0.67 |
C1C(O)C2(C)CCC(C(C(O)=O)=C)C(O)C2C(C)(O)C1
|
|
| MCULE-3141539281 |
0.67 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
|
|
| MCULE-5390747778 |
0.67 |
[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-4275950574 |
0.67 |
[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-2313378449 |
0.67 |
C(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-2671029853 |
0.67 |
[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-5059257985 |
0.67 |
[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-7009109930 |
0.67 |
C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)CO)C)CCC4(C)C3=CCC2C(C)(C)C1=O
|
|
| MCULE-2832089707 |
0.67 |
C1CC2(C)C3=CC(=O)C(C)(C=C)CC3CCC2C(C(=O)O)(C)C1
|
|
| MCULE-2754580936 |
0.67 |
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-2519092915 |
0.67 |
C1CCC2(C)C3CCC(C(C)C)=CC3=CCC2C1(C(=O)OC)C
|
|
| MCULE-9137191737 |
0.67 |
C1(C)(C)C=C(C)CC(C(O)=O)C1C(O)=O
|
|
| MCULE-4272187140 |
0.67 |
C1(CC(C)=CC(C)C1C(O)=O)C(O)=O
|
|
| MCULE-7472546811 |
0.67 |
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-4713145304 |
0.67 |
C1C[C@]2(C)[C@@]([H])(CC[C@@H](C)CCO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
|
|
| MCULE-2911613762 |
0.67 |
[C@H]1(C[C@H]2C[C@@H]1C=C2)CC(O)=O
|
|
| MCULE-6649773698 |
0.67 |
C1CC2(C(CCC(C2CC/C(=C\CO)/CO)=C)C(C(O)=O)(C)C1)C
|
|
| MCULE-5541619791 |
0.67 |
[C@]12(C)CCC[C@@](C)(C(O)=O)[C@]1([H])CCC1=C[C@@](CC[C@]12[H])(C)C=C
|
|
| MCULE-5701652206 |
0.67 |
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-4428892848 |
0.67 |
C1CCC2(C)C3CCC(C=C)(C)C=C3CCC2C1(C(=O)O)C
|
|
| MCULE-9024921933 |
0.67 |
OC(C(CC1C2C=CC(CC2)C1)=O)=O
|
|
| MCULE-8928261768 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@](C(=O)O)(C)C1
|
|
| MCULE-8052468805 |
0.67 |
C1C(CC)C(C(=O)O)C(C(=O)O)CC=1
|
|
| MCULE-8330160340 |
0.67 |
[C@@]12(C)CCC[C@@](C)(C(O)=O)[C@@]1([H])CCC(=C)[C@H]2CCC(C)CCO
|
|
| MCULE-4393909687 |
0.67 |
C1CC2(C)C(CCC(C)CC(=O)O)C(=C)CCC2C(C)(C(=O)O)C1
|
|
| MCULE-4609643145 |
0.67 |
C12C(C)(C)CCCC=1CC(C(O)=O)C(C(O)=O)C2
|
|
| MCULE-4874634113 |
0.67 |
C1(CCCC)(C(O)=O)CC(C)=C(CC1C(O)=O)C
|
|
| MCULE-9840181952 |
0.67 |
C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@@](C(=O)O)(C)C1
|
|
| MolPort-002-159-548 |
0.67 |
CCCCC1(CC(C)=C(C)CC1C(O)=O)C(O)=O
|
|
| MolPort-035-705-910 |
0.67 |
C[C@@H](CCO)CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O
|
|
| MolPort-003-933-080 |
0.67 |
CCCCCC\C=C/CCCC(O)=O
|
|
| MolPort-002-130-596 |
0.67 |
CC1=CC(C)(C)C(C(C1)C(O)=O)C(O)=O
|
|
| MolPort-009-019-328 |
0.67 |
CCCCC\C=C/CCCCCCC\C=C/CCCC(O)=O
|
|
| MolPort-046-153-807 |
0.67 |
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-002-114-330 |
0.67 |
CC1C=C(C)CC(C1C(O)=O)C(O)=O
|
|
| MolPort-029-943-094 |
0.67 |
CC(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)CC(O)=O
|
|
| MolPort-042-624-137 |
0.67 |
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-044-650-172 |
0.67 |
CCCCCCCCCCCCCC\C=C\CCCC(O)=O
|
|
| MolPort-006-668-475 |
0.67 |
CC1(CCC2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
|
|
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0.67 |
C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
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|
| MolPort-008-427-020 |
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CC1(CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1)C=C
|
|
| MolPort-005-945-680 |
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CC12CCCC(C)(C1CCC(=C)C2CC\C(CO)=C/CO)C(O)=O
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|
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C[C@@]1(CCC2C(CCC3C2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
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|
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OC(=O)C[C@@H]1C[C@H]2C[C@@H]1C=C2
|
|
| MolPort-029-215-812 |
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OC(=O)CC1CC2CC1C=C2
|
|
| MolPort-000-832-360 |
0.67 |
CC1(C)CCCC2=C1CC(C(C2)C(O)=O)C(O)=O
|
|
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0.67 |
CC(CCO)CC[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@@]2(C)C(O)=O
|
|
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CC1(C)CC[C@@]2(CCC3=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-002-510-100 |
0.66 |
CC(=O)[C@@]1(O)CCC2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
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0.66 |
C[C@@H]1CC[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]2[C@]1(C)O)C(O)=O
|
|
| MolPort-046-596-366 |
0.66 |
CC(=O)[C@@]1(O)CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-740-973 |
0.66 |
C[C@@]1(CCC2=C(C1)C(=O)CC1[C@@](C)(CCC[C@]21C)C(O)=O)C=C
|
|
| MolPort-035-706-447 |
0.66 |
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=O)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-002-176-715 |
0.66 |
CC(=O)C1(O)CCC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-594-247 |
0.66 |
CC1(C)CCC2(CCC3=C(CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O
|
|
| MCULE-2445362476 |
0.66 |
C12=CC(CCC1(C)C1C(C3CCC(O)(C(C)=O)C3(CC1)C)CC2=C)=O
|
|
| MCULE-7221302841 |
0.66 |
CC1(C)CC2C(C(O)=O)(CCC3C4(C)CCC5C(C(O)=O)(C)C(O)C(O)CC5(C)C4CCC=32)CC1
|
|
| MCULE-9248944569 |
0.66 |
C1C[C@]2(C([C@@](C1)(C(O)=O)C)CC(=O)C1=C2CC[C@](C)(C=C)C1)C
|
|
| MCULE-9848650209 |
0.66 |
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-7930269142 |
0.66 |
C12C(C1/C(/C1CC21)=C(\C)/C)C(O)=O
|
|
| MCULE-5549502379 |
0.66 |
C12C3CC(C=C3)C1C2C(O)=O
|
|
| MCULE-3959902732 |
0.66 |
OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-5624348400 |
0.66 |
C1(C(=O)O)CC2C=CC1CC2
|
|
| MCULE-3741444667 |
0.66 |
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 |
0.66 |
C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O
|
|
| MCULE-4676598997 |
0.66 |
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-5225374056 |
0.66 |
CC(C(CC1C2C=CC(CC2)C1)=O)O
|
|
| MCULE-9036760572 |
0.66 |
[C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)O
|
|
| MCULE-3490312737 |
0.66 |
C/C(/C)=C\CC1(C(O)=O)CC2(CCC2)C1
|
|
| MCULE-8991093142 |
0.66 |
OC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
|
|
| MCULE-7136534003 |
0.66 |
CC=CCC1(C(O)=O)CC2(CCC2)C1
|
|
| MCULE-8712180858 |
0.66 |
CC(C(C1(C(O)=O)CC=CC1)C)O
|
|
| MCULE-2546809155 |
0.66 |
CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
|
|
| MCULE-8827470848 |
0.66 |
CC(CC1(C(O)=O)CC=CC1)(O)C
|
|
| MCULE-4926555419 |
0.66 |
C1C(C)C(C(O)=O)/C(=C(/C)\C)/C1
|
|
| MCULE-9156595873 |
0.66 |
C(CCCCC)C(O)CC=CCCCCCCCC(=O)O
|
|
| MCULE-6401226702 |
0.66 |
CC=CC(C1(CCCCC1)O)=O
|
|
| MCULE-8675761077 |
0.66 |
[C@]12([H])[C@@](C)(CCC[C@]1(C)CC[C@H](C2)C(=C)C(O)=O)O
|
|
| MCULE-9204788308 |
0.66 |
C12C(C)(CCCC1(C)CCC(C2)C(=C)C(O)=O)O
|
|
| MCULE-8763282524 |
0.66 |
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-5865455343 |
0.66 |
CC(C=O)(CC1CC=CC1)O
|
|
| MCULE-4487348024 |
0.66 |
[C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(=O)C2(C)C)C(=O)[O-]
|
|
| MCULE-2275715129 |
0.66 |
C12(C)CCC3(C(C(C(C)=C)CC3)C1CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
|
|
| MCULE-2632444883 |
0.66 |
C12[C@](C)(CCC[C@]1(C)CC[C@H](C2)C(=C)C(O)=O)O
|
|
| MCULE-3066570238 |
0.66 |
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-9000633244 |
0.66 |
OC(C=O)CC1CC=CC1
|
|
| MCULE-3240845890 |
0.66 |
C1C[C@@]2(C)[C@@](C[C@H](C(C(=O)O)=C)CC2)([C@@](C1)(O)C)[H]
|
|
| MCULE-2125200193 |
0.66 |
[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-9982252588 |
0.66 |
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-8322152301 |
0.66 |
CC(C1C2C3C(C)(CCC2(C(O)=O)CC1)C1(C)C(C2(C)C(CC1)C(C)(C)C(=O)CC2)CC3)=C
|
|
| MCULE-5097841519 |
0.66 |
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-2871457061 |
0.66 |
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-5368790248 |
0.66 |
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-9416273604 |
0.66 |
CC1(CC[C@@]2(C(=O)O)[C@H](C3=C(CC2)[C@@]2(CC[C@H]4[C@@](C(=O)O)(C)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]2CC3)C)C1)C
|
|
| MCULE-3259874247 |
0.66 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](CO)(C)[C@H]1O
|
|
| MCULE-6949149768 |
0.66 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](C=O)(C)[C@H]1O
|
|
| MolPort-001-742-604 |
0.66 |
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-003-941-070 |
0.66 |
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-039-062-015 |
0.66 |
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-001-972-569 |
0.66 |
OC(=O)C1C2C1C1CC2C=C1
|
|
| MolPort-002-524-552 |
0.66 |
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-021-783-103 |
0.66 |
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-023-220-126 |
0.66 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-027-640-923 |
0.66 |
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-003-666-072 |
0.66 |
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-039-242-365 |
0.66 |
OC(=O)[C@@H]1C[C@H]2CC[C@@H]1C=C2
|
|
| MolPort-007-980-884 |
0.66 |
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-009-018-301 |
0.66 |
CCCCCC(=O)CC[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=O
|
|
| MolPort-002-683-774 |
0.66 |
CC(C)=C1C2CC2C2C(C12)C(O)=O
|
|
| MolPort-027-835-537 |
0.66 |
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-002-507-130 |
0.66 |
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-002-893-729 |
0.66 |
OC(=O)C1CC2CCC1C=C2
|
|
| MolPort-008-322-980 |
0.66 |
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O
|
|
| MolPort-004-964-448 |
0.66 |
CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-000-772-330 |
0.66 |
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-044-727-745 |
0.66 |
CCCCCC[C@@H](O)C\C=C\CCCCCCCC(O)=O
|
|
| MolPort-006-168-732 |
0.66 |
CCCCCCC(O)C\C=C\CCCCCCCC(O)=O
|
|
| MolPort-046-765-905 |
0.66 |
OC(=O)CCCCCCC\C=C/CC=O
|
|
| MolPort-003-939-239 |
0.66 |
CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O
|
|
| MolPort-007-980-897 |
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)=O
|
|
| MolPort-005-945-549 |
0.66 |
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-005-944-788 |
0.66 |
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-035-706-378 |
0.66 |
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-023-276-984 |
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)=O
|
|
| MolPort-001-740-747 |
0.66 |
CC1(O)CCCC2(C)CCC(CC12)C(=C)C(O)=O
|
|
| MolPort-005-944-694 |
0.66 |
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-019-997-682 |
0.66 |
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-039-033-337 |
0.66 |
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-001-740-815 |
0.66 |
C[C@@]1(O)CCC[C@]2(C)CC[C@H](C[C@@H]12)C(=C)C(O)=O
|
|
| MolPort-042-624-120 |
0.66 |
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-002-524-807 |
0.66 |
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-002-512-343 |
0.66 |
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-046-426-986 |
0.66 |
CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C12)C(O)=O
|
|
| MolPort-001-742-037 |
0.66 |
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-003-939-279 |
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)=O
|
|
| MolPort-046-688-727 |
0.66 |
C\C(C=C)=C\C[C@H]1[C@](C)(O)CC[C@H]2C(C)(C)CCC[C@]12C
|
|
| MolPort-002-929-501 |
0.66 |
C[C@]1(O)CCC[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
|
|
| MolPort-039-052-624 |
0.66 |
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-005-944-682 |
0.65 |
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-039-337-172 |
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)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O
|
|
| MolPort-028-744-491 |
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]5[C@H](O)C[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-042-675-253 |
0.65 |
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-020-005-924 |
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)C5[C@H](O)C[C@@]34C)C2[C@H]1C)C(O)=O
|
|
| MolPort-044-193-687 |
0.65 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(O)=O
|
|
| MolPort-039-338-623 |
0.65 |
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-001-741-330 |
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)C5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-028-754-128 |
0.65 |
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-003-983-803 |
0.65 |
[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-002-507-280 |
0.65 |
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-008-430-076 |
0.65 |
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-000-729-105 |
0.65 |
CC1(C)CCC2(CC[C@]3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
|
|
| MolPort-046-596-590 |
0.65 |
CC(=O)C12CCCC[C@@H]1C[C@H]1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-001-740-060 |
0.65 |
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
|
|
| MolPort-046-764-596 |
0.65 |
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-007-980-916 |
0.65 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
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|
| MolPort-046-765-250 |
0.65 |
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-002-507-433 |
0.65 |
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-002-507-455 |
0.65 |
C[C@@H]1CC2[C@@H]3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
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|
| MolPort-002-911-249 |
0.65 |
CC(CCCC(C)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-046-589-954 |
0.65 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
|
|
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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
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|
| MolPort-046-596-264 |
0.65 |
C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
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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
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| MolPort-003-939-637 |
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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
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|
| MolPort-003-983-927 |
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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
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CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
|
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CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
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|
| MolPort-004-955-261 |
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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
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CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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|
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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
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|
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CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(O)=O
|
|
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CCCCC1[C@H]2CC(=O)[C@H](C\C=C/CCCC(O)=O)[C@H]2CCC1=O
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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
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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
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C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
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|
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CC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
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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
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[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
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C[C@H](CCCC(C)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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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
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CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
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C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
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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
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CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O
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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
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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
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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
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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
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CC(=O)C12CCCCC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
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C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
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[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
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CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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C[C@]12CCCC(=C)[C@@H]1[C@@H](O)[C@@H](CC2)C(=C)C(O)=O
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OC(=O)C1CCC=CCC1
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C1CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
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[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-]
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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
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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+]
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[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
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[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
|
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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
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0.65 |
[C@]12(C)CCC3[C@@]([H])(CC=C4CC(O)CC[C@]34C)C1C[C@@H](C)[C@]2(C)C(C)=O
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[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
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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
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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
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CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
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0.65 |
[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
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[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]
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[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]
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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
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C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O)[H]
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[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
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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
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OC(C1(CC=CC1)CC1CC2C(C2)C1)=O
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C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
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C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(=C1)CO)C
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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]
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O=C1C(C(C)C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
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| MCULE-9672606479 |
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[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)=O
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| MCULE-3629918410 |
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O=C(CCC(C)C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)CC
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| MCULE-2538866374 |
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C(C1C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C)(=O)C
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[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
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C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC1CCCCC21C(C)=O
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O=C1C(C2CCCCC2)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
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| MCULE-5277306782 |
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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
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| MCULE-4006235073 |
0.65 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)=O
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|
| MCULE-1547137893 |
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C12CCC(C(C)CCCC(=O)C)C1(C)CCC1C3(C)CCC(O)CC3=CCC21
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|
| MCULE-8838919541 |
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OC1(C(CC2CC=CC2)=O)CCCC1
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| MCULE-6737121719 |
0.65 |
C1C[C@@]2(CC[C@@H](C(C(=O)O)=C)[C@@H]([C@@]2([H])C(C1)=C)O)C
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|
| MCULE-9852233406 |
0.65 |
OC(C(CC1CC=CC1)=O)=O
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|
| MCULE-6767000432 |
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C1CCC(C(O)=O)CCC=1
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|
| MCULE-9579621162 |
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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-9499600420 |
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C12CC1C1C(C(O)=O)C(C(O)=O)C2C=C1
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| MCULE-7030538659 |
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C12(C(=O)O)C3C4C5C1C=CC5C2(C(=O)O)C4C=C3
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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
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| MCULE-8721985369 |
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OC(C1C2C(C(O)=O)C(C(O)=O)C(C=C2)C1C(O)=O)=O
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|
| MCULE-1831569032 |
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C1(CC(CCC1C(O)=O)=CC/C=C(\C)/C)C(O)=O
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|
| MCULE-6560423282 |
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[C@H]1(CC(CC[C@@H]1C(O)=O)=CC/C=C(/C)\C)C(O)=O
|
|
| MCULE-4665716653 |
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N(CC)(CC)CC.C12(C)CCC(O)CC1=CCC1C2CCC2(C)C(CCC21)(O)CCC(O)=O
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|
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C1(CC(C)=CCC1C(O)=O)C(O)=O
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|
| MCULE-6147550234 |
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[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
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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-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-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-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-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-6957829896 |
0.65 |
[C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O
|
|
| MCULE-3724391729 |
0.65 |
C1(C(O)=O)CC(C)=C(CC1C(O)=O)C
|
|
| 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-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-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-4431659207 |
0.65 |
C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(C)C1O
|
|
| 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-2959266522 |
0.65 |
CCCCCCCC(O)/C=C\C(CCC(O)CCCC(=O)O)O
|
|
| MCULE-5213682431 |
0.65 |
C1(C(O)=O)CC(C(C)C)=CCC1C(O)=O
|
|
| 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
|
|
| MolPort-002-522-872 |
0.65 |
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-009-018-238 |
0.65 |
CCCCC\C=C\C=C1/C=CC(=O)C1CCCCCCC(O)=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-039-338-964 |
0.65 |
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-001-740-430 |
0.65 |
CC\C=C/C\C=C/C=C/[C@H](O)CCCCCCCC(O)=O
|
|
| MolPort-002-508-860 |
0.65 |
CC(C)=CC\C=C1/CC[C@@H]([C@@H](C1)C(O)=O)C(O)=O
|
|
| MolPort-046-761-060 |
0.65 |
CCCCCC(O)\C=C\C=C/CCCCCCCC(=O)OC
|
|
| 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-002-161-277 |
0.65 |
CC(C)=CC\C=C1/CCC(C(C1)C(O)=O)C(O)=O
|
|
| MolPort-001-970-998 |
0.65 |
OC(=O)C1C2C=CC(C3CC23)C1C(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-005-273-812 |
0.65 |
OC(=O)C1C2C=CC(C1C(O)=O)C(C2C(O)=O)C(O)=O
|
|
| MolPort-039-138-868 |
0.65 |
CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(=O)OC
|
|
| 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-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-000-689-320 |
0.65 |
CC1=C(C)CC(C(C1)C(O)=O)C(O)=O
|
|
| MolPort-046-196-745 |
0.65 |
C[CH]C1CC[C]2[C]1CCC1[C]3C[CH][C@H](O)C[C@H]3C(=O)C=C21
|
|
| 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-005-938-499 |
0.65 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)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-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-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-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-001-740-301 |
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-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-001-742-733 |
0.65 |
CCCCCCCC(O)\C=C/C(O)CCC(O)CCCC(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-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-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-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-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-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-039-338-606 |
0.65 |
CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)C(=C)CC1=O
|
|
| MolPort-002-134-098 |
0.65 |
CC1=CCC(C(C1)C(O)=O)C(O)=O
|
|
| 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-002-130-595 |
0.65 |
CC(C)C1=CCC(C(C1)C(O)=O)C(O)=O
|
|
| 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-035-706-403 |
0.65 |
CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC(=O)[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
|
|
| MolPort-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-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-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-003-940-987 |
0.64 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
|
|
| MolPort-003-941-261 |
0.64 |
CCCCC\C=C\C\C=C\CCCCCCCCCC(O)=O
|
|
| MolPort-009-018-939 |
0.64 |
[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-035-882-164 |
0.64 |
CCCCC\C=C/C\C=C/CCCCCCCCCCCC(O)=O
|
|
| MolPort-001-740-230 |
0.64 |
CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(O)=O
|
|
| MolPort-001-780-227 |
0.64 |
CCCCC\C=C\C\C=C\CCCCCCCC(O)=O
|
|
| MolPort-003-941-054 |
0.64 |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
|
|
| MolPort-046-683-522 |
0.64 |
CCCCC\C=C\C\C=C\C\C=C\C\C=C/CCCCCC(O)=O
|
|
| MolPort-001-788-459 |
0.64 |
CCCCC\C=C/C\C=C/CCCCCCCC(O)=O
|
|
| MolPort-006-113-817 |
0.64 |
CCC=CCC=CCC=CCCCCCCCC(O)=O
|
|
| MolPort-035-706-538 |
0.64 |
CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-003-933-184 |
0.64 |
CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O
|
|
| MolPort-003-937-817 |
0.64 |
CC\C=C/C\C=C/C\C=C/CCCCCCCC(O)=O
|
|
| MolPort-005-944-556 |
0.64 |
CCC\C=C\C=C\C1CCC(O)C(O)C1CO
|
|
| MolPort-027-641-365 |
0.64 |
[2H]\C(CCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCCCCC(O)=O
|
|
| MolPort-044-724-154 |
0.64 |
CCCCCC=CCC=CCCCCCCCC(O)=O
|
|
| MolPort-044-727-764 |
0.64 |
CCCCC\C=C/C\C=C/CCCCCCCCCCC(O)=O
|
|
| MolPort-035-706-537 |
0.64 |
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-006-126-388 |
0.64 |
CC(C)(O)CCCC1=CCC(CC1)C=O
|
|
| MolPort-035-706-376 |
0.64 |
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-002-525-668 |
0.64 |
[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-039-052-637 |
0.64 |
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-021-804-706 |
0.64 |
CC1(O)C(O)CCC2(C)CCC(CC12)C(=C)C(O)=O
|
|
| MolPort-039-338-304 |
0.64 |
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-046-153-069 |
0.64 |
C[C@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(O)=O
|
|
| MolPort-001-742-316 |
0.64 |
CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)C(C=O)C(O)C(C)(C)C5CCC34C)C12)C(O)=O
|
|
| MolPort-027-835-542 |
0.64 |
C[C@]12CCC[C@](C)([C@@H]1CC[C@]13CC(=C)[C@@](O)(C1)CC[C@H]23)C(O)=O
|
|
| MolPort-002-526-213 |
0.64 |
[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-020-005-960 |
0.64 |
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 |
0.64 |
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-046-594-199 |
0.64 |
CC12CCCC(C)(C1CCC13CC(=C)C(O)(C1)CCC23)C(O)=O
|
|
| MolPort-000-704-547 |
0.64 |
[K+].CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C12)C([O-])=O
|
|
| MolPort-001-742-556 |
0.64 |
CC1(C)[C@@H]2CC[C@]3(C2)[C@H](CC[C@@H]3C1=C)C(O)=O
|
|
| MolPort-001-741-356 |
0.64 |
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-046-153-164 |
0.64 |
CC(CCC(O)C(C)(C)O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
|
|
| MolPort-002-911-165 |
0.64 |
C[C@]1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-035-706-518 |
0.64 |
C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
|
|
| MolPort-002-894-354 |
0.64 |
OC(=O)CCCCCCCC(=O)CCCCCCCCC=C
|
|
| MolPort-000-153-810 |
0.64 |
OC(=O)CCCCCCCC=C
|
|
| MolPort-006-069-065 |
0.64 |
OC(=O)CCCCCCCCCC=C
|
|
| MolPort-028-746-650 |
0.64 |
OC(=O)CCCCCCCCCCCCC=C
|
|
| MolPort-023-213-092 |
0.64 |
OC(=O)CCCCCC=C
|
|
| MolPort-023-213-093 |
0.64 |
OC(=O)CCCCCCC=C
|
|
| MolPort-023-213-100 |
0.64 |
CC(=C)CCCCC(O)=O
|
|
| MolPort-023-213-101 |
0.64 |
CC(=C)CCCCCC(O)=O
|
|
| MolPort-023-213-102 |
0.64 |
CC(=C)CCCCCCC(O)=O
|
|
| MolPort-002-507-392 |
0.64 |
OC(=O)CCCCCCCCC=C
|
|
| MolPort-035-706-318 |
0.64 |
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-001-740-583 |
0.64 |
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)C2[C@]1(C)O)C(O)=O
|
|
| MolPort-003-801-798 |
0.64 |
C[C@]1(C2CC(C=C2)[C@@H]1C(O)=O)C(O)=O
|
|
| MolPort-002-525-628 |
0.64 |
CC(=O)[C@H]1C[C@H](O)C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C[C@@H](O)[C@]12C
|
|
| MolPort-001-783-149 |
0.64 |
OC(=O)[C@H]1C2CC(C=C2)[C@H]1C(O)=O
|
|
| MolPort-006-066-916 |
0.64 |
OC(=O)C1[C@H]2C[C@@H](C=C2)[C@H]1C(O)=O
|
|
| MolPort-005-944-940 |
0.64 |
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)[C@@H]2[C@@H]1O)C(O)=O
|
|
| MolPort-005-945-884 |
0.64 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1(C)O)C(O)=O
|
|
| MolPort-000-142-104 |
0.64 |
OC(=O)C1C2CC(C=C2)C1C(O)=O
|
|
| MolPort-028-599-904 |
0.64 |
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@]1(C)O)C(O)=O
|
|
| MolPort-027-947-880 |
0.64 |
OC(=O)[C@@H]1[C@H]2C[C@H](C=C2)[C@H]1C(O)=O
|
|
| MolPort-035-706-464 |
0.64 |
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@]1(C)O)C(O)=O
|
|
| MolPort-035-706-438 |
0.64 |
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@]1(C)O)C(O)=O
|
|
| MolPort-042-675-252 |
0.64 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(=O)C(C)(C)C5CCC34C)C2C1(C)O)C(O)=O
|
|
| MolPort-038-386-599 |
0.64 |
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@]1(C)O)C(O)=O
|
|
| MolPort-028-754-175 |
0.64 |
C[C@@H]1CC[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]2[C@]1(C)O)C(O)=O
|
|
| MolPort-020-005-967 |
0.64 |
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]2[C@@H]1O)C(O)=O
|
|
| MolPort-028-960-858 |
0.64 |
OC(=O)C1[C@H]2C[C@H](C=C2)C1C(O)=O
|
|
| MolPort-039-338-384 |
0.64 |
C[C@@H]1CC[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]2[C@]1(C)O)C(O)=O
|
|
| MolPort-046-761-042 |
0.64 |
C[C@@H]1CC[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]2[C@]1(C)O)C(O)=O
|
|
| MolPort-035-706-466 |
0.64 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MCULE-1893075589 |
0.64 |
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
|
|
| MCULE-4209942909 |
0.64 |
C(/C=C\C/C=C\C/C=C\CC)CCCCCCCCCCC(=O)O
|
|
| MCULE-6594867113 |
0.64 |
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
|
|
| MCULE-8042162865 |
0.64 |
C(CCCCCCCC=CCC=CCC=CCC)(O)=O
|
|
| MCULE-6699414453 |
0.64 |
CC1(CCCC1)CC1(C(O)=O)CC=CC1
|
|
| MCULE-6215916748 |
0.64 |
OC(C1(CC=CC1)CC1CC1)=O
|
|
| MCULE-4594283986 |
0.64 |
CCC/C=C/C=C/C1CCC(O)C(O)C1CO
|
|
| MCULE-9405390567 |
0.64 |
C(CCCCCCC(=O)O)CC/C=C/C/C=C/CCCCC
|
|
| MCULE-4653646367 |
0.64 |
C(CCCCCCCC=CCC=CCCCCC)(O)=O
|
|
| MCULE-5820761773 |
0.64 |
OC(C1(C2CCCCCC2)CC=CC1)=O
|
|
| MCULE-3699449483 |
0.64 |
OC(C1(C2CCC2)CC=CC1)=O
|
|
| MCULE-6540776662 |
0.64 |
CC1(CCC1)CC1(C(O)=O)CC=CC1
|
|
| MCULE-2795374734 |
0.64 |
OC(C1(C2CCCC2)CC=CC1)=O
|
|
| MCULE-4248274366 |
0.64 |
OC(C1(CC=CC1)CC1CCCC1)=O
|
|
| MCULE-1144217583 |
0.64 |
C1(C=O)CCC(CCCC(O)(C)C)=CC1
|
|
| MCULE-6852628228 |
0.64 |
OC(C1(CC=CC1)CC1CCC1)=O
|
|
| MCULE-9082869288 |
0.64 |
CCCCC/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(/[H])\CCCCCC(O)=O
|
|
| MCULE-9671518710 |
0.64 |
C(CCCCCCC/C=C/C/C=C/CCCCC)(O)=O
|
|
| MCULE-6569170574 |
0.64 |
C1CC2(C(C3(C(C(C(C31)(C)C)O)C=O)C)CCC1C3C(C(C)=C)CCC3(CCC21C)C(=O)O)C
|
|
| MCULE-2458365976 |
0.64 |
C1CC2(C)CCC(C(=C)C(=O)O)CC2C(O)(C)C1O
|
|
| MCULE-9706743745 |
0.64 |
C1C[C@]2(C)[C@]3([H])CC[C@@]4(O)C(=C)C[C@@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
|
|
| MCULE-1233983645 |
0.64 |
CC12C3CCC4(O)C(CC3(C4)CCC1C(C(O)=O)(C)CCC2)=C
|
|
| MCULE-8251326522 |
0.64 |
C=C1C[C@@]23[C@](CC[C@@]1(C2)O)([H])[C@@]1(C)[C@]([C@@](CCC1)(C(=O)O)C)([H])CC3
|
|
| MCULE-3719801152 |
0.64 |
[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-2112175098 |
0.64 |
CC(C1C2C3C(C)(CCC2(C(O)=O)CC1)C1(C)C(C2(C)C(CC1)C(CO)(C)C(O)CC2)CC3)=C
|
|
| MCULE-2845490138 |
0.64 |
[C@]123CC[C@H](C1)C(C(=C)[C@@]2([H])CC[C@@H]3C(O)=O)(C)C
|
|
| MCULE-3459478440 |
0.64 |
CC(C(CC1CC=CC1)=O)(O)C
|
|
| MCULE-3558747073 |
0.64 |
[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-3735012527 |
0.64 |
C[C@@]1([C@@]2([H])[C@]([C@]3(CC[C@@]4(C[C@]3(CC2)CC4=C)O)[H])(C)CCC1)C(=O)O
|
|
| MCULE-8091131175 |
0.64 |
[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-6212623017 |
0.64 |
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-5848120811 |
0.64 |
C1(=C)C2CCC1CC(C(O)=O)C2
|
|
| MCULE-7633282937 |
0.64 |
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 |
0.64 |
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-1403801057 |
0.64 |
C(CCCCCC(=O)O)CCCCCCC=C
|
|
| MCULE-6863504457 |
0.64 |
O=C(CCCCC(O)=O)CCCCCCCCC=C
|
|
| MCULE-7928135942 |
0.64 |
C(CCCCCCCCC=C)(O)=O
|
|
| MCULE-2837812117 |
0.64 |
C=C(C)CCCCC(=O)O
|
|
| MCULE-3892173219 |
0.64 |
C(CCCCCCCC=C)(O)=O
|
|
| MCULE-9714012387 |
0.64 |
C(CCCCCCC(=O)O)C(=O)CCCCCCCCC=C
|
|
| MCULE-6571932731 |
0.64 |
C=CCCCCCC(=O)O
|
|
| MCULE-6091105789 |
0.64 |
C=C(CCCCCC(=O)O)C
|
|
| MCULE-7974840074 |
0.64 |
C(CCCCCCCCC(CCCCCC(O)=O)=O)=C
|
|
| MCULE-7638135284 |
0.64 |
C1(O)CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1=O
|
|
| MCULE-1536126723 |
0.64 |
C(O)(C1C(C2C3(CCCC3)C1C=C2)C(O)=O)=O
|
|
| MCULE-9798718462 |
0.64 |
[C@@H]12C[C@H]([C@@H](C(O)=O)[C@@H]1C(O)=O)C=C2
|
|
| MCULE-3751237146 |
0.64 |
C[C@H]1[C@](O)(C)[C@@H]2[C@@](C(=O)O)(CC[C@]3([C@@]4(C)[C@@H]([C@@]5([C@@H](CC4)[C@@](CO)(C)[C@@H](O)CC5)C)CC=C32)C)CC1
|
|
| MCULE-2390783905 |
0.64 |
[C@]12(C)[C@H](O)CC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1[C@H](C[C@@H]2C(C)=O)O
|
|
| MCULE-3986896794 |
0.64 |
CC1([C@@H](O)[C@H](O)C[C@@]2(C)[C@H]1CC[C@]1([C@@]3(C)C([C@@H]4[C@@](O)(C)[C@H](C)CC[C@]4(C(=O)O)CC3)=CC[C@@H]12)C)C
|
|
| MCULE-9482226349 |
0.64 |
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@@](C)(O)[C@@]21[H])C(O)=O)[H]
|
|
| MCULE-8057091309 |
0.64 |
[C@@]1(C)(C(O)=O)[C@@H](C(O)=O)C2C=CC1C2
|
|
| MCULE-1404184811 |
0.64 |
C1CC2(C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(CO)(C)C1O)C
|
|
| MCULE-8919412541 |
0.64 |
C12CC(C(C(O)=O)C1C(O)=O)C=C2
|
|
| MCULE-8179123738 |
0.64 |
[C@@H]1(C(=O)O)[C@]2([H])C=C[C@@]([H])(C2)[C@H]1C(=O)O
|
|
| MCULE-8942317491 |
0.64 |
[C@@H]1(O)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)C)(C(=O)O)CCC(C)(C)[C@H]5O)C
|
|
| MCULE-5689703166 |
0.64 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@@H]1O
|
|
| MCULE-4704690733 |
0.64 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
|
|
| MCULE-1455068472 |
0.64 |
C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1
|
|
| MCULE-5685325143 |
0.64 |
C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CCC2C(CO)=O)[H]
|
|
| MCULE-9209606443 |
0.64 |
C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
|
|
| MCULE-9071849084 |
0.64 |
C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CC(C)C2(O)C(C)=O)[H]
|
|
| MCULE-6409888378 |
0.64 |
C1[C@]2([H])[C@@](C(O)=O)(CC[C@]3(C)C2=CC[C@@]2([H])[C@@]3(C)CC[C@]3([H])[C@]2(C)CC[C@H](O)[C@]3(CO)C)CCC1(C)C
|
|
| MCULE-3614931522 |
0.64 |
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-2653535248 |
0.64 |
C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
|
|
| MCULE-5773428311 |
0.64 |
C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
|
|
| 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-9211922250 |
0.64 |
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-2605863241 |
0.64 |
C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
|
|
| MCULE-8429170945 |
0.64 |
C1C(CC(O)=O)C(C=C)CC=1
|
|
| MCULE-1067283755 |
0.64 |
C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-3800481886 |
0.64 |
C1(C)(C)C[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@](CO)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
|
|
| MCULE-1780641937 |
0.64 |
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-2675118265 |
0.64 |
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-5258251736 |
0.64 |
C(O)(=O)C(CC=CCCCCCCCCCCCCC)CC(O)=O
|
|
| MCULE-1602610126 |
0.64 |
CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CC=C32)CC1
|
|
| MCULE-7633761938 |
0.64 |
C(O)(C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)=O
|
|
| MCULE-5683974067 |
0.64 |
C1C[C@]2(C([C@](C(O)=O)(C)C1)CCC13C2CCC(C(CO)=C1)C3)C
|
|
| 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-9917637884 |
0.64 |
[C@]12(CO)CC[C@@H](CC1=CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)O
|
|
| MCULE-7899364914 |
0.64 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
|
|
| MCULE-1591105974 |
0.64 |
C12(CO)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)O
|
|
| MCULE-8259872102 |
0.64 |
C(C)(C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-2299251979 |
0.64 |
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-3171016035 |
0.64 |
C1CCC2C(C(O)=O)C2C=CC1
|
|
| MCULE-4819154807 |
0.64 |
C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
|
|
| MCULE-9127936983 |
0.64 |
C1C(O)C2(C)CCC(C(C(O)=O)=C)C(O)C2C(=C)C1
|
|
| MCULE-6079251175 |
0.64 |
C1CC2(C(O)CC(CC2C(C1)(C)O)C(C(=O)O)=C)C
|
|
| MCULE-6438933973 |
0.64 |
CC(C(CC1CC=CCC1)=O)(O)C
|
|
| MolPort-001-742-304 |
0.64 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O
|
|
| 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-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-038-386-656 |
0.64 |
CC1C(CCC(O)=O)C2CCCCC2=CC1=O
|
|
| MolPort-002-506-869 |
0.64 |
C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34CO)C1CCC2=O
|
|
| 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
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|
| MolPort-000-726-918 |
0.64 |
C[C@@H]1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-001-740-467 |
0.64 |
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-046-762-885 |
0.64 |
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
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|
| MolPort-001-742-412 |
0.64 |
CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O
|
|
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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
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| MolPort-027-640-938 |
0.64 |
CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
|
|
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0.64 |
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
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0.64 |
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
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0.64 |
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-005-944-708 |
0.64 |
C[C@]12CCC[C@](C)(C1CCC1=CC(=O)CCC21)C(O)=O
|
|
| MolPort-035-706-386 |
0.64 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-035-706-339 |
0.64 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(=C)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
|
|
| MolPort-005-944-959 |
0.64 |
CC1(C)C(=O)CCC2C1=CCC1CC(C)(C=C)C(O)CC21C
|
|
| MolPort-035-706-269 |
0.64 |
C[C@@H](O)\C=C\[C@@]1(O)[C@H](C)CC(=O)CC1(C)C
|
|
| MolPort-006-111-348 |
0.64 |
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
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|
| MolPort-002-116-843 |
0.64 |
CC1CC2C3CCC4CC(O)CCC4(C)C3=CCC2(C)C1(O)C(C)=O
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|
| 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-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-030-042-288 |
0.64 |
CC12CCC3C(CC=C4CC(O)CCC34CO)C1CCC2=O
|
|
| MolPort-001-740-352 |
0.64 |
C[C@@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=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-044-649-711 |
0.64 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-001-740-351 |
0.64 |
CC(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MolPort-002-526-688 |
0.64 |
C[C@]12CCC3[C@@H](CCC4=C[C@H](O)CC[C@]34C)C1CCC2=O
|
|
| MolPort-002-800-539 |
0.64 |
CC12CCC3C(CCC4=CC(O)CCC34C)C1CCC2=O
|
|
| MolPort-039-338-313 |
0.64 |
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(CO)=C3)C(O)=O
|
|
| MolPort-044-183-134 |
0.64 |
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-001-741-118 |
0.64 |
C[C@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MolPort-002-857-394 |
0.64 |
CCCCCCCCCCCCC\C=C\CC(CC(O)=O)C(O)=O
|
|
| MolPort-001-741-051 |
0.64 |
C[C@]12CCC[C@@](C)(C1CCC13CC(CCC21)C(CO)=C3)C(O)=O
|
|
| MolPort-042-675-461 |
0.64 |
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 |
0.64 |
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
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0.64 |
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-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
|
|
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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-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-039-338-398 |
0.64 |
C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O
|
|
| 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-002-510-419 |
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-019-937-078 |
0.64 |
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-019-937-217 |
0.64 |
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-039-338-353 |
0.64 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-002-512-678 |
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
|
|
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0.64 |
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-039-338-152 |
0.64 |
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](C[C@H](O)[C@@H]21)C(=C)[C@H]3O)C(O)=O
|
|
| MolPort-044-723-271 |
0.64 |
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(C[C@H](O)[C@@H]21)C(=C)[C@H]3O)C(O)=O
|
|
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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
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|
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0.64 |
CC1(O)CCCC2(C)C(O)CC(CC12)C(=C)C(O)=O
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0.63 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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0.63 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)[C@@H](O)[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@]1(C)O)C(O)=O
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|
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0.63 |
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
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0.63 |
COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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0.63 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)C(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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0.63 |
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3)C(O)=O
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OC(=O)CC1(CCCCC1)C=C
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0.63 |
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@H](CC[C@@H]21)C(=C)C3)C(O)=O
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C[C@@]12CCC[C@](C)(C1CCC13CC(CCC21)C(=C)C3)C(O)=O
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|
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CC1(C)CCCC2(C)C1CCC1(C)C(CC(O)=O)C(=C)CCC21
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|
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C\C=C\C=C\CCCCCCCO
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|
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0.63 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC(=C)[C@]34C)[C@@H]1CCC2=O
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OC(=O)C1(CCCCC1)C=C
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|
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OC(=O)C1(CC=C)CCCCC1
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CCCCCC(=O)CC[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
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|
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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
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|
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0.63 |
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
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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
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|
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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
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|
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CC(CCC1(C)C(C)CCC2(CO)C1CCC=C2CO)CC(O)=O
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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
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|
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CCCCC\C=C/C\C=C/CC\C=C/CCCC(O)=O
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CC(=O)C1=CCC2[C@@H]3CC[C@H]4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC\C=C\CC1C(CC(O)=O)CCC1=O
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CC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O
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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
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CC(=O)C1=CCC2C3CC[C@H]4C[C@H](O)CCC4(C)C3CCC12C
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|
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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
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|
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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
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[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]
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[2H]C([2H])([2H])C(CCCC(C)C1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C([2H])([2H])[2H]
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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
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|
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[Na+].CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O
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[Na+].CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC([O-])=O
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[Na+].CCCCC\C=C\C\C=C\CCCCCCCC([O-])=O
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[Na+].CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O
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CC(=O)C1=CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
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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
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C1C[C@]2(C)CC[C@@H](C(C(=O)OC)=C)CC2=C(C)C1
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[C@@H]1(O)[C@H](O)[C@@]2(C3CC=C4C5[C@@](O)(C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2C([C@H]1O)(C)C)C
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C(O)(=O)CC1CCCC1C=C
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C(=CC)C=CCCCCCCCO
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C1CC2(C)C3CCC(=C)C(CC(=O)O)C3(C)CCC2C(C)(C)C1
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|
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OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
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|
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OC(=O)[C@]1([C@]2(CC[C@]34C[C@H](C(=C)C3)CC[C@@]4([H])[C@]2(C)CCC1)[H])C
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|
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C1C[C@@]2(C)C3C4(CCC2[C@@](C(O)=O)(C)C1)CC(=C)C(CC3)C4
|
|
| MCULE-7281525757 |
0.63 |
C1(C)(C)C(CCC1=C)CC(O)=O
|
|
| MCULE-3300513366 |
0.63 |
C1(=C)[C@@H]2C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(O)=O)[C@@H]3CC2)C1
|
|
| MCULE-2445591436 |
0.63 |
C1C[C@]2([H])[C@](C(=O)O)(C)[C@H](C[C@@H](CC)O)C(C)=C[C@]2([H])CC1
|
|
| MCULE-1872459490 |
0.63 |
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-8392723345 |
0.63 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)OC
|
|
| MCULE-9449984869 |
0.63 |
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-9151137367 |
0.63 |
O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(C)=O
|
|
| MCULE-7329243914 |
0.63 |
C12(CO)CCC(C(C)(CCC(C)CC(O)=O)C1CCC=C2CO)C
|
|
| MCULE-7688714216 |
0.63 |
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-6793463685 |
0.63 |
O=C1CCC2(C)C(=C1)CCC1C(O)CCC(O)C21
|
|
| MCULE-3600048668 |
0.63 |
[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 |
0.63 |
[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-1079737205 |
0.63 |
C1(C([O-])=O)=CC=C(CC)[C@H](O)[C@@H]1O
|
|
| MCULE-2078234899 |
0.63 |
C1(=O)C2[C@](C(C)=C1)([H])C[C@@]1([C@]([H])([C@H](CC1)[C@@H](C)/C=C\C=C(\C)/C)CC=C2CO)C
|
|
| MCULE-1720910553 |
0.63 |
[O-]C(=O)CCCCCCCC([H])=C([H])CC([H])=C([H])CCCCC.[Na+]
|
|
| MCULE-4777198621 |
0.63 |
CCCCC/C=C\CCCCCC(C(=O)O)C(O)CC(=O)O
|
|
| MCULE-2620645862 |
0.63 |
[O-]C(=O)CCCCCCCC=CCC=CCCCCC.[K+]
|
|
| MCULE-7369936803 |
0.63 |
[C@H]1(CC=CCC)C(CC[C@@H]1CC(O)=O)=O
|
|
| MCULE-8107340389 |
0.63 |
C12CC(=O)C(C)=C1CC(C(C(=O)O)=C)C(O)CC2C
|
|
| MCULE-8239765173 |
0.63 |
[C@]12(C)CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-7625704416 |
0.63 |
C([C@@H](O)CCCC(=O)O)=CC=CC=C[C@H](O)CC=CCCCCC
|
|
| MCULE-1782460700 |
0.63 |
CC(C1(C2(C)C(C3C(CC2)C2(C)C(=CC(CC2)=O)C=C3)CC1)O)=O
|
|
| MCULE-8526293555 |
0.63 |
C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C)CC(=O)OC
|
|
| 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-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-7321817046 |
0.63 |
CC1([C@@]2(CCC(C(=O)O)=CC2)C(=C)CCC1)C
|
|
| MCULE-1391058013 |
0.63 |
C12(CC1)C1C=CC2C(C1C(O)=O)C(O)=O
|
|
| MCULE-6879064173 |
0.63 |
C12C[C@@H](CC[C@H](C)[C@]1([H])CC(=O)C=2C)C(=C)C(O)=O
|
|
| MCULE-2655341532 |
0.63 |
C1CC2(C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C1O)(C(O)=O)C)C
|
|
| MCULE-9540409196 |
0.63 |
C1C[C@@]2(C3CC=C4C5[C@@](O)(C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2[C@]([C@H]1O)(C(O)=O)C)C
|
|
| MCULE-7803183347 |
0.63 |
O[C@@H]1[C@](CO)(C)C2[C@](C3CC=C4[C@]5([H])[C@H](O)C(C)(C)CC[C@]5(C(O)=O)CC[C@]4([C@]3(C)CC2)C)(C)C[C@H]1O
|
|
| MCULE-6215568256 |
0.63 |
[C@@H]1(O)C[C@@]2(C3CC=C4C5[C@@](O)(C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2[C@@]([C@H]1O)(CO)C)C
|
|
| MCULE-9929818229 |
0.63 |
[Na+].[Na+].C1C2CC(C(C([O-])=O)C2C([O-])=O)C=1
|
|
| MolPort-046-790-502 |
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)C2=C1C)C(O)=O
|
|
| MolPort-002-354-428 |
0.63 |
CC(=O)C1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-003-941-891 |
0.63 |
CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O
|
|
| MolPort-021-804-571 |
0.63 |
CC1CC(O)C(CC2=C(C)C(=O)CC12)C(=C)C(O)=O
|
|
| 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-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-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-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-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-021-804-488 |
0.63 |
CC12CCC(CC1C(=C)CC(O)C2)C(=C)C(O)=O
|
|
| MolPort-006-668-441 |
0.63 |
CC1(C)CCCC(=C)C11CCC(=CC1)C(O)=O
|
|
| MolPort-001-741-276 |
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)C5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O
|
|
| MolPort-046-158-410 |
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]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| 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-001-741-354 |
0.63 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)C2[C@]1(C)O)C(O)=O
|
|
| MolPort-046-509-005 |
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)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O
|
|
| MolPort-006-668-670 |
0.63 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1(C)O)C(O)=O
|
|
| MolPort-021-804-587 |
0.63 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)C[C@@H](O)[C@@H](O)C(C)(CO)C5CCC34C)C2C1(C)O)C(O)=O
|
|
| MolPort-002-994-694 |
0.63 |
OC(=O)C1C(C2C=CC1C21CC1)C(O)=O
|
|
| MolPort-046-158-545 |
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]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-005-944-635 |
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)C5CC[C@@]34C)C2[C@]1(C)O)C(O)=O
|
|
| MolPort-001-741-329 |
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)C5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O
|
|
| MolPort-001-741-316 |
0.63 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)C5CC[C@@]34C)C2[C@@H]1O)C(O)=O
|
|
| MolPort-039-338-084 |
0.63 |
[Na+].[Na+].[O-]C(=O)C1C2CC(C=C2)C1C([O-])=O
|
|
| MolPort-022-365-475 |
0.63 |
C\C=C\CCCC(O)=O
|
|
| MolPort-044-183-250 |
0.63 |
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-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-006-112-162 |
0.63 |
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-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-046-594-086 |
0.63 |
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-039-338-358 |
0.63 |
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-023-219-645 |
0.63 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2C(O)=O
|
|
| MolPort-039-338-593 |
0.63 |
CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1=O
|
|
| MolPort-023-274-294 |
0.63 |
CC(CCO)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C
|
|
| 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-003-666-886 |
0.63 |
[Zn++].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C
|
|
| MolPort-046-647-152 |
0.63 |
OC(=O)C1CC2(C1)CC(=C)C2
|
|
| MolPort-001-785-920 |
0.63 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(O)=O
|
|
| MolPort-035-706-307 |
0.63 |
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-001-741-222 |
0.63 |
CC\C=C/CC(O)C(O)CCC(O)CCCCCCCC(O)=O
|
|
| MolPort-006-129-942 |
0.63 |
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-019-937-248 |
0.63 |
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-046-153-751 |
0.63 |
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-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-001-741-862 |
0.63 |
CC1CCC2C(C)(CCC(O)C2(C)C=O)C1CC\C(C)=C/C(O)=O
|
|
| MolPort-029-942-945 |
0.63 |
C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C/C(O)=O
|
|
| MolPort-005-945-729 |
0.63 |
CC(C)=C1CC2C(CCC2(C)O)C(C)(O)CC1=O
|
|
| 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-006-111-539 |
0.63 |
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-005-932-301 |
0.63 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
|
|
| 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-046-158-502 |
0.63 |
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-002-509-734 |
0.63 |
[K+].[O-]C(=O)CCCCCCCCC=C
|
|
| MolPort-039-138-851 |
0.63 |
CCCCC[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1CCCCCCC(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-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-028-754-125 |
0.63 |
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-001-739-668 |
0.62 |
CC(CCCCC(O)C(CO)C(O)=O)C\C(C)=C\C(\C)=C\C(O)=O
|
|
| MolPort-039-139-037 |
0.62 |
CCCC\C=C\C=C\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-042-675-273 |
0.62 |
CC(C\C=C\CC(C)C(O)CC(O)=O)C(O)CC(O)=O
|
|
| MolPort-039-339-170 |
0.62 |
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-003-937-818 |
0.62 |
CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
|
|
| MolPort-046-158-419 |
0.62 |
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@@H]21)C(=C)C3=O)C(O)=O
|
|
| MolPort-009-018-856 |
0.62 |
CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
|
|
| MolPort-044-561-075 |
0.62 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
|
|
| MolPort-001-816-138 |
0.62 |
OC(=O)C1CC2CC=CC(C1)C2=O
|
|
| MolPort-001-742-388 |
0.62 |
CC1(C)CC2C1CC\C(=C/CCC2=C)C(O)=O
|
|
| MolPort-039-338-119 |
0.62 |
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-035-706-309 |
0.62 |
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
|
|
| MCULE-2458381576 |
0.62 |
C1C2C(=O)C(CC(C(=O)O)C2)C=C1
|
|
| MCULE-2721005128 |
0.62 |
C1CC2(C(CC=1)(C(O)=O)CCCC2)CC(O)=O
|
|
| MCULE-2519630522 |
0.62 |
C12C(CCC=C(C(O)=O)CCC1C(C)(C)C2)=C
|
|
| MCULE-3524678284 |
0.62 |
C1C[C@@]2(CC[C@@H](C(C(=O)O)=C)CC2C([C@@H]1O)=C)C
|
|
| MCULE-2876144776 |
0.62 |
C12(CCC(C(C)(C)C1=C)C2)C(O)=O
|
|
| MCULE-5589267581 |
0.62 |
C1CC2(C)CCC(C(=C)C(=O)O)CC2C(=C)C1O
|
|
| 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-1348157475 |
0.62 |
C12CCC3[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CCC=21)O
|
|
| MCULE-6191127237 |
0.62 |
O=C1CCC2C(=C1C)C=CC1(C)C2CC(O)C(O)C1
|
|
| MCULE-9564533694 |
0.62 |
OC(=O)/C=C/CCCCCCCCCCCC(=O)O
|
|
| MCULE-9625022025 |
0.62 |
CC1CCC(C(=O)O)(C)CC=1
|
|
| MCULE-2350131012 |
0.62 |
C(CCCCCCCCC=CCCCCCC)(OC)=O
|
|
| MCULE-4995415924 |
0.62 |
C(CCC)CCCC/C=C\CCCCCCCC(=O)OC
|
|
| MCULE-5533097898 |
0.62 |
C(CCCC(=O)OC)CCCC=CCCCCCC
|
|
| MCULE-8493572612 |
0.62 |
C([H])(CCCCCCCC)=C(CCCCCCCCCCCC(=O)OC)[H]
|
|
| MCULE-3684696083 |
0.62 |
CCCCCC/C=C/CCCCCCCC(OC)=O
|
|
| MCULE-7677256646 |
0.62 |
OC(C1(CC=CC1)CC1CCCC=1)=O
|
|
| MCULE-5765051698 |
0.62 |
C(CCCC=CC(O)=O)CCCCC(O)=O
|
|
| MCULE-6601751883 |
0.62 |
C1(C)CC(CCC=1C)C(O)=O
|
|
| MCULE-1261827700 |
0.62 |
OC(=O)/C=C/CCCCCCCCCC(=O)O
|
|
| MCULE-1052417281 |
0.62 |
C(CCCCCCCCCCCCCC=CCCCCCCCC)(OC)=O
|
|
| MCULE-7929696567 |
0.62 |
C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O
|
|
| MCULE-3212175174 |
0.62 |
C1(C)(CCC(=C(C)C1)C)C(O)=O
|
|
| MCULE-1939531919 |
0.62 |
CC1CC(C(O)=O)(C2C=CCCC2)C1
|
|
| MCULE-6534469638 |
0.62 |
C(CCCCC=CCCCC)CCC(=O)OC
|
|
| MCULE-8140747078 |
0.62 |
C(CCCCCCCC=CCCCCCCCC)(OC)=O
|
|
| MCULE-7708235386 |
0.62 |
OC(C1(CC=CC1)CC1CC=CCC1)=O
|
|
| MCULE-6541953240 |
0.62 |
C1CCC(C(C)(C(O)=O)C)=CCCC1
|
|
| MCULE-4690400847 |
0.62 |
C1(CCCCCCC(=O)O)CC[C@@H](O)C=1
|
|
| MCULE-5967042891 |
0.62 |
[C@]12(C)CCC3[C@@]([H])(CC([C@@]4([H])CC=CC[C@]34C)=O)C1CCC2[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C
|
|
| MCULE-6962013531 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC(=O)[C@@]2([H])[C@@](C=O)(C)[C@H]1O
|
|
| MCULE-3492445798 |
0.62 |
C/C(/C)=C/CCC1C(O)CCCC1
|
|
| MCULE-6675572295 |
0.62 |
C/C(/C)=C/CC[C@H]1[C@@](O)(C)CCCC1
|
|
| MCULE-1988512755 |
0.62 |
C/C(/C)=C/CCC1C(O)(C)CCCC1
|
|
| MCULE-1505073195 |
0.62 |
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-6893473009 |
0.62 |
C1(C(C)CC(/C=C(\C)/C)=O)CC(O)C(=C)C=C1
|
|
| MCULE-3634019791 |
0.62 |
CC1CC(CC/C=C(\C)/C)C(O)CC1
|
|
| MCULE-3865951643 |
0.62 |
C1(C(O)=O)C(C)C(C)=CC(/C=C(/C)\C)C1C(O)=O
|
|
| MCULE-3213163274 |
0.62 |
COC1C(C2(C(O)=O)CC=CC2)CCC1
|
|
| MCULE-1383087393 |
0.62 |
C1=C[C@@]([H])([C@H](CC(/C=C(/C)\C)=O)C)C[C@H](O)C1=C
|
|
| MCULE-3124415982 |
0.62 |
C1(O)C(O)C2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(CO)C1=O
|
|
| MCULE-9033649357 |
0.62 |
CCOC([C@@]1(CCC[C@@]2(C)[C@]1(CC=C1[C@@]2(CCC(C(C)C)=C1)[H])[H])C)=O
|
|
| MCULE-2374686913 |
0.62 |
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-4949013565 |
0.62 |
C(C1(C2=CCCCC2)CCCCC1)(O)=O
|
|
| MCULE-8005965492 |
0.62 |
[C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
|
|
| MCULE-9949303370 |
0.62 |
C(CO)(C1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-4202565953 |
0.62 |
C1CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C(O)=O)(C)C1)C
|
|
| MCULE-5304256304 |
0.62 |
C(=O)(CCCC=C)CCCCCC(=O)O
|
|
| MCULE-4023009546 |
0.62 |
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-1739570677 |
0.62 |
[C@@]12([H])CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C[C@]2(O)C
|
|
| MCULE-3707649630 |
0.62 |
C(=O)(C=C)CCCCCC(=O)O
|
|
| MCULE-3688392585 |
0.62 |
O=C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
|
|
| MCULE-8879177648 |
0.62 |
OC(C1(CC=CCC1)CC1CC=CC1)=O
|
|
| MCULE-8671525222 |
0.62 |
C(CCCCCCCCC=C)(=O)[O-].[K+]
|
|
| MCULE-5606035595 |
0.62 |
C1(O)(C)C2CCC(O)(C)C2C/C(=C(\C)/C)/C(=O)C1
|
|
| MCULE-4888197133 |
0.62 |
C1(=O)CC2(C)C(CCC(C)CCO)C(=C)CCC2C(C)(C)C1
|
|
| MCULE-1387376761 |
0.62 |
C12CCC(O)C1(C)CCC1=CC(=O)CCC21
|
|
| MCULE-8509022096 |
0.62 |
[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-9922742805 |
0.62 |
C(C)/C=C\CC(O)C(O)CCC(CCCCCCCC(O)=O)O
|
|
| MCULE-5920047196 |
0.62 |
C(=O)(O)C(CO)C(O)CCCCC(C)C/C(=C/C(/C)=C/C(=O)O)/C
|
|
| MCULE-7865324905 |
0.62 |
C12CC3C(CC(O)C(O)C3)CC1(C)C=CC1=C(C)C(=O)CCC21
|
|
| MCULE-2735934269 |
0.62 |
OC1(C(CC2CC=CCC2)=O)CCCC1
|
|
| MCULE-1652773504 |
0.62 |
C1(/CCC(C/1)C(O)=O)=C(\C)/C
|
|
| MCULE-1300466204 |
0.62 |
OC(=O)CC(O)C(C)C/C=C/CC(C)C(O)CC(=O)O
|
|
| MCULE-5903132392 |
0.62 |
C1(C([O-])=O)=CC=C(CC)[C@H](O)[C@@H]1O.[Na+]
|
|
| MCULE-3556089734 |
0.62 |
C1=CC2C1C(C(O)=O)C2C(O)=O
|
|
| MolPort-021-804-489 |
0.62 |
CC12CCC(O)C(=C)C1CC(CC2)C(=C)C(O)=O
|
|
| MolPort-000-422-027 |
0.62 |
CC1(C)C2CCC(C2)(C([O-])=O)C1=C
|
|
| MolPort-035-706-217 |
0.62 |
C[C@]12CCCC(=C)[C@@H]1C[C@@H](CC2)C(=C)C(O)=O
|
|
| MolPort-028-949-482 |
0.62 |
[Na+].OC(CCCC=C)CCCC([O-])=O
|
|
| MolPort-039-052-495 |
0.62 |
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-000-421-911 |
0.62 |
CC1(C)C2CCC(C2)(C(O)=O)C1=C
|
|
| MolPort-001-740-814 |
0.62 |
C[C@]12CC[C@@H](O)C(=C)C1C[C@@H](CC2)C(=C)C(O)=O
|
|
| MolPort-046-158-394 |
0.62 |
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-027-640-897 |
0.62 |
CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CC(=O)CCCCC(O)=O
|
|
| 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-006-701-571 |
0.62 |
C[C@]12CCC3=C4CCC(=O)C=C4CCC3C1CCC2O
|
|
| MolPort-028-599-742 |
0.62 |
O[C@H]1CC[C@@H]2C1CCC1=C3CCC(=O)C=C3CC[C@@H]21
|
|
| MolPort-046-792-915 |
0.62 |
C[C@]12CCC3=C4CC[C@H](O)C=C4CC[C@H]3[C@H]1CCC2=O
|
|
| MolPort-042-694-347 |
0.62 |
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
|
|
| MolPort-002-510-832 |
0.62 |
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3C1CC[C@@H]2O
|
|
| MolPort-005-909-640 |
0.62 |
CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)C1CCC2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-044-754-166 |
0.62 |
OC(=O)CCCCCCCCC\C=C\C(O)=O
|
|
| MolPort-042-675-343 |
0.62 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-003-927-108 |
0.62 |
CCCCCC\C=C/CCCCCCCCCC(=O)OC
|
|
| MolPort-035-706-531 |
0.62 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-039-052-540 |
0.62 |
C[C@]1(CCC[C@]2(C)[C@@H]1[C@H](O)C[C@@]13C[C@H](CC[C@@]21O)C(=C)C3=O)C(O)=O
|
|
| MolPort-044-754-165 |
0.62 |
OC(=O)CCCCCCCCCCC\C=C\C(O)=O
|
|
| MolPort-003-927-107 |
0.62 |
CCCCCCCC\C=C/CCCCCCCCCC(=O)OC
|
|
| MolPort-003-941-737 |
0.62 |
CCCCCC\C=C/CCCCCCCCC(=O)OC
|
|
| MolPort-003-916-055 |
0.62 |
CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC
|
|
| MolPort-003-959-122 |
0.62 |
CCCCC\C=C/CCCCCCCCCCC(=O)OC
|
|
| MolPort-003-959-376 |
0.62 |
CCCCCCCCCCC\C=C/CCCCC(=O)OC
|
|
| MolPort-003-849-688 |
0.62 |
CCCCCCCCC=CCCCCCCCC(=O)OC
|
|
| MolPort-003-959-894 |
0.62 |
CCCCCC\C=C\CCCCCCCCCC(=O)OC
|
|
| MolPort-002-678-933 |
0.62 |
CC1=C(C)CC(CC1)C(O)=O
|
|
| MolPort-028-610-143 |
0.62 |
OC(=O)CCCCCC\C=C\C(O)=O
|
|
| MolPort-003-927-207 |
0.62 |
OC(=O)CCCCCCCC\C=C\C(O)=O
|
|
| MolPort-044-615-514 |
0.62 |
CC1=C(C)CC(C)(CC1)C(O)=O
|
|
| MolPort-001-740-140 |
0.62 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC
|
|
| MolPort-003-933-240 |
0.62 |
CCCCCCCC\C=C\CCCCCCCC(=O)OC
|
|
| MolPort-009-019-018 |
0.62 |
CCCCCCCC\C=C/CCCCCC(=O)OC
|
|
| MolPort-022-366-438 |
0.62 |
CC1=CCC(CC1)C(O)=O
|
|
| MolPort-009-018-817 |
0.62 |
OC(=O)CCCCCCCC\C=C/C(O)=O
|
|
| MolPort-022-368-244 |
0.62 |
CC1=CCC(C)(CC1)C(O)=O
|
|
| MolPort-003-938-663 |
0.62 |
CCCC\C=C/CCCCCCCC(=O)OC
|
|
| MolPort-003-938-950 |
0.62 |
CCCCCC\C=C\CCCCCCCC(=O)OC
|
|
| MolPort-003-938-957 |
0.62 |
CCCCCC\C=C/CCCCCCCC(=O)OC
|
|
| MolPort-001-741-355 |
0.62 |
OC(=O)CCCCCCC\C=C/CC(O)=O
|
|
| MolPort-001-989-180 |
0.62 |
CC1C(C(C(C=C(C)C)C=C1C)C(O)=O)C(O)=O
|
|
| 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
|
|
| MolPort-035-706-451 |
0.62 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5C(=O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-046-509-025 |
0.62 |
C[C@@H](CC(=O)C=C(C)C)[C@H]1C[C@H](O)C(=C)C=C1
|
|
| MolPort-035-706-434 |
0.62 |
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-042-675-478 |
0.62 |
CC(CC(=O)C=C(C)C)C1CC(O)C(=C)C=C1
|
|
| MolPort-003-930-815 |
0.62 |
OC(=O)CCCCC=C
|
|
| MolPort-002-537-790 |
0.61 |
CC(C12CC3CC(CC(C3)C1)C2)[N+](C)(C)C.CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C([O-])=O)C2CC1
|
|
| MolPort-001-739-257 |
0.61 |
CC(O)CCCCC(C(O)=O)C(=C)C(O)=O
|
|
| MolPort-001-739-258 |
0.61 |
OCCCCCCC(C(O)=O)C(=C)C(O)=O
|
|
| MolPort-039-338-364 |
0.61 |
CC(C)[C@@H]1CCC(=C)[C@@H](O)CCC(=C)\C=C\1
|
|
| MolPort-039-338-439 |
0.61 |
C[C@@]12CCC[C@@](C)([C@H]1C[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3)C(O)=O
|
|
| MolPort-039-052-703 |
0.61 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@@]21O)C(=C)C3)C(O)=O
|
|
| MolPort-001-740-812 |
0.61 |
CC(=O)[C@]12C[C@@H](CC[C@@]1(C)CC[C@@H]2O)C(=C)C(O)=O
|
|
| MolPort-001-739-259 |
0.61 |
CCCCCCC(C(O)=O)C(=C)C(O)=O
|
|
| MolPort-007-567-460 |
0.61 |
CC(=O)C12CC=CCC1CC1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-046-688-079 |
0.61 |
CC(C1CC=C(C)C(=O)C1)C(O)=O
|
|
| MolPort-039-061-801 |
0.61 |
C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-002-481-549 |
0.61 |
CC1(C[C@@H]2C[C@H]1C=C2)C(O)=O
|
|
| MolPort-046-761-019 |
0.61 |
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-039-052-627 |
0.61 |
CC(=O)\C=C\[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@]2(C)C(O)=O
|
|
| MolPort-000-653-714 |
0.61 |
OC(=O)C1CC2CC1C=C2
|
|
| MolPort-046-703-359 |
0.61 |
CCCCC(C)(O)C\C=C\C1C(O)CC(=O)C1CCCCCCC(O)=O
|
|
| MolPort-006-395-227 |
0.61 |
[2H]C([2H])([2H])C(O)(C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O)C([2H])([2H])CCC
|
|
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0.61 |
OC(=O)C1C[C@H]2C[C@@H]1C=C2
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0.61 |
OC(=O)[C@H]1C[C@H]2C[C@@H]1C=C2
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0.61 |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CC=C(C)C(=O)[C@H]12)C(O)=O
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0.61 |
CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
|
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0.61 |
OC(=O)[C@H]1C[C@@H]2C[C@H]1C=C2
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0.61 |
C[C@H]1CC(=O)C=C2CC[C@H](C[C@]12C)C(=C)C(O)=O
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0.61 |
C[C@H](C[C@H](O)[C@@H](O)C(C)=C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
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C\C(C=O)=C/C=C/[C@@]1(C)[C@@H]2CCC(=C)[C@@H]3CC[C@](C)(O)[C@H]3[C@H]12
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CC(=O)[C@@]12CC=CC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
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CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
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CC(=O)C12CC=CC[C@@H]1C[C@H]1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
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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
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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
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C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
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OC(=O)[C@@H]1C[C@H]2C[C@@H]1C=C2
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CC(=O)C12CC=CC[C@@H]1C[C@H]1[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]21C
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CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
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CC1(CC2CC1C=C2)C(O)=O
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CCCCCC(O)C\C=C1/C(C\C=C/CCCC(O)=O)C(O)CC1=O
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CCCCC\C=C/C=C/C(CCCCCCCC(O)=O)OO
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CCCCCC(OO)\C=C\C=C/CCCCCCCC(O)=O
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CC1(C)CC2C1[C@@H](O)CC(=CCCC2=C)C(O)=O
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C(O)CCCCCC(C(=C)C(O)=O)C(O)=O
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CC(O)CCCCC(C(=C)C(O)=O)C(O)=O
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CCCCCCC(C(O)=O)C(=C)C(=O)O
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[C@@H]1(O)C(=C)CC[C@@H](C(C)C)C=CC(=C)CC1
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C1[C@@H](CC[C@]2(CC[C@H](O)[C@]21C(=O)C)C)C(C(O)=O)=C
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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
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C1(C)(CC2CC1C=C2)C(O)=O
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| MCULE-7184031760 |
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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-8843751953 |
0.61 |
[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
|
|
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0.61 |
[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-2700455616 |
0.61 |
C1CC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1O
|
|
| MCULE-2999920945 |
0.61 |
C12(C)C(C(C)CCC(OC)=O)CCC1C1C(CC2)C2(CCCCC2C=C1)C
|
|
| MCULE-4243027733 |
0.61 |
C(O)(C1C(C)(C)C(C=CC(O)=O)(C)CC1)=O
|
|
| MCULE-7258934827 |
0.61 |
C1C[C@@]2(C)[C@]([H])(/C=C/C(=O)C)C(=C)CC[C@]2([H])[C@](C(O)=O)(C)C1
|
|
| MCULE-1857694923 |
0.61 |
[C@@]12([H])C[C@@]([H])(C=C1)C[C@@H]2C(O)=O
|
|
| MCULE-2570487264 |
0.61 |
OC(C1C2C=CC(C2)C1)=O
|
|
| MCULE-6464655857 |
0.61 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])([C@@H](C)C(=O)O)[C@@]2([H])C(=O)C=1C
|
|
| MCULE-8651982947 |
0.61 |
C(C)(C1(O)C(=C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-2458465887 |
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O=C(OC)CCC(C)C1CCC2C1(C)C(O)CC1C2CCC2C=CCCC21C
|
|
| MCULE-9707443606 |
0.61 |
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-5757363366 |
0.61 |
C12C3C4C=CCC4C1C(C)(C(OC)=O)C1C4CCC5(C)C(O)C3(C)C(C45)C21
|
|
| MCULE-5677861178 |
0.61 |
[C@H]1(C(O)=O)[C@]2([H])C[C@]([H])(C1)C=C2
|
|
| MCULE-9942267030 |
0.61 |
C12(C)CC=C(C(CCCC(C)C)C(O)=O)CC1CCC1C3C(C)(CCC21)C(O)CC3
|
|
| MCULE-4737898468 |
0.61 |
[H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1C(C2)=O
|
|
| MCULE-8211700424 |
0.61 |
C(O)(=O)C(C)(CCCC(C)=C)C=C
|
|
| MCULE-2484766562 |
0.61 |
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 |
0.61 |
[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]
|
|
| MCULE-5893056666 |
0.61 |
CCC/C=C/C=C/C1CC(O)C(O)C(O)C1
|
|
| MCULE-1825456795 |
0.61 |
C(O)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO
|
|
| MCULE-2016404995 |
0.61 |
C(O)(CC1(C)C(CC=C2C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12)([H])C(O)=O)=O
|
|
| MCULE-3632970812 |
0.61 |
O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
|
|
| MCULE-9107310489 |
0.61 |
OC(C1(CCOCC1)CC1CC=CC1)=O
|
|
| MCULE-2810354958 |
0.61 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
|
|
| MCULE-9381861258 |
0.61 |
C1(O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
|
|
| MCULE-2236994087 |
0.61 |
C1(CCC(CC=1)C(C)=C)C(O)=O
|
|
| MCULE-8918435387 |
0.61 |
C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(O)=O)=O
|
|
| MCULE-2460476091 |
0.61 |
C1C[C@@]([H])(/C(/C)=C/C(=O)CC(C)C)CC=C1C(=O)O
|
|
| MCULE-7712069033 |
0.61 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O
|
|
| MCULE-4786407254 |
0.61 |
C1CC2=C(C3(CCC(O)C(C(=O)O)C31)C)C(CC1(C(CCC21)C(O)C)C)O
|
|
| MCULE-1608951387 |
0.61 |
C(=C/CC)/CC(/C=C/C(O)C(O)CCCCCCCC(=O)O)O
|
|
| MCULE-9367731136 |
0.61 |
CC1([C@@H](OC(=O)C)CC[C@@]2(C)[C@H]1CC=C1[C@@]3(C)[C@]([C@H]([C@@H](C3)O)[C@H](C(=O)O)CCC(C(C)C)=C)(C)CC=C12)C
|
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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
|
|
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0.61 |
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
|
|
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0.61 |
CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12)C=O
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|
| MolPort-029-870-265 |
0.61 |
OC(=O)CC1CC=CC1
|
|
| MolPort-046-153-745 |
0.61 |
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-046-683-754 |
0.61 |
C[C@H](CCC=C(C)C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
|
|
| MolPort-039-101-232 |
0.61 |
CCC\C=C\C=C\C1CC(O)C(O)C(O)C1
|
|
| MolPort-022-366-437 |
0.61 |
OC(=O)CC1CCCC=C1
|
|
| MolPort-009-018-831 |
0.61 |
OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
|
|
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0.61 |
[2H]C([2H])([2H])C1([C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@]2(C)[C@H](CC=C12)[C@H](C)CCC=C(C)C)C([2H])([2H])[2H]
|
|
| MolPort-027-641-391 |
0.61 |
[2H]\C(CCCCCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCC(O)=O
|
|
| MolPort-002-911-143 |
0.61 |
C[C@]1(O)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
|
|
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CCCC1(CCC1)[C@H](O)C\C=C\[C@H]1C(O)CC(=O)C1C\C=C/CCCC(O)=O
|
|
| MolPort-046-790-501 |
0.61 |
CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1)C(O)=O
|
|
| MolPort-039-338-393 |
0.61 |
CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
|
|
| MolPort-001-740-031 |
0.61 |
CC\C=C/CC(O)\C=C\C(O)C(O)CCCCCCCC(O)=O
|
|
| MolPort-044-649-693 |
0.61 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
|
|
| MolPort-035-706-267 |
0.61 |
C[C@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-035-706-266 |
0.61 |
C[C@@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-035-706-169 |
0.61 |
CC(C)CC(=O)\C=C(/C)[C@@H]1CCC(=CC1)C(O)=O
|
|
| MolPort-006-118-969 |
0.61 |
CC(=C)C1CCC(=CC1)C(O)=O
|
|
| MolPort-019-937-543 |
0.61 |
CC(CCC1(C)C(C)CCC2(C)C1CC(O)C=C2C(O)=O)CC(O)=O
|
|
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0.61 |
CC(=O)[C@@]1(O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
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0.61 |
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](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)C(O)=O
|
|
| MolPort-039-338-564 |
0.61 |
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](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)C(O)=O
|
|
| MolPort-039-339-023 |
0.61 |
CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)C(O)=O
|
|
| MolPort-000-706-606 |
0.60 |
[Na+].CC1(C)C2CCC(C2)(C([O-])=O)C1=C
|
|
| MolPort-046-691-387 |
0.60 |
C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)CO
|
|
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0.60 |
CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
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0.60 |
CC(C)C(C)\C=C\C(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-001-740-045 |
0.60 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-793-369 |
0.60 |
[2H][C@@H]1C[C@H]2[C@H]3CC[C@@H]([C@@H](C)O)[C@@]3(C)CCC2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
|
|
| MolPort-001-785-932 |
0.60 |
CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-596-387 |
0.60 |
CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-005-943-996 |
0.60 |
C[C@H]1[C@H](O)CCC2=CC(=O)C(C[C@]12C)=C(C)C
|
|
| MolPort-006-069-421 |
0.60 |
C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-006-111-052 |
0.60 |
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-006-390-553 |
0.60 |
CC1C=CCC(C1C(O)=O)C(O)=O
|
|
| MolPort-019-997-276 |
0.60 |
C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O
|
|
| MolPort-029-996-101 |
0.60 |
COC(=O)[C@H]1[C@H]2CC\C=C/CC[C@@H]12
|
|
| MolPort-029-996-102 |
0.60 |
COC(=O)[C@@H]1[C@H]2CC\C=C/CC[C@@H]12
|
|
| MolPort-038-386-532 |
0.60 |
CCC\C=C\C=C\C(CCCC(=O)OC)C(O)=O
|
|
| MolPort-038-386-585 |
0.60 |
OC(CCCCCCCC(O)=O)\C=C\C(O)=O
|
|
| MolPort-039-338-302 |
0.60 |
C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
|
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0.60 |
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
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|
| MolPort-046-596-401 |
0.60 |
C[C@]12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2O
|
|
| MolPort-004-285-983 |
0.60 |
CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-046-596-410 |
0.60 |
C[C@]1(O)CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-690-329 |
0.60 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C
|
|
| MolPort-046-690-504 |
0.60 |
C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-691-031 |
0.60 |
[2H]C1([2H])C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1([2H])O
|
|
| MolPort-046-693-157 |
0.60 |
CC1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]23)CC1=O
|
|
| MolPort-046-764-442 |
0.60 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
| MolPort-046-765-305 |
0.60 |
CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O
|
|
| MolPort-046-765-340 |
0.60 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-046-765-461 |
0.60 |
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC(=O)[C@@]2(C)O
|
|
| MolPort-046-765-469 |
0.60 |
C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC(=O)[C@]3(C)O)[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-046-765-861 |
0.60 |
[2H][C@@H]1C[C@H]2[C@H]3CC[C@@H](C(C)O)[C@]3(C)CC[C@H]2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
|
|
| MolPort-005-937-958 |
0.60 |
C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-793-201 |
0.60 |
C[C@]12CC[C@H]3[C@@H](CCC4=C[13C](=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
|
|
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0.60 |
C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-507-240 |
0.60 |
CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
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0.60 |
CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-531-054 |
0.60 |
CC(C)C(C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-532-755 |
0.60 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CCC2C3=CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-911-071 |
0.60 |
C[C@@H]1CC2(C)C3CCC4(C)C(CC[C@]4(C)O)C3CCC2=CC1=O
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0.60 |
C[C@]1(O)CCC2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-520-919 |
0.60 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CCC2O
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|
| MolPort-002-507-282 |
0.60 |
CC1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-526-836 |
0.60 |
C[C@]12CCC3[C@@H](CCC4=C3CCC(=O)C4)C1CCC2O
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|
| MolPort-002-911-080 |
0.60 |
C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
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| MolPort-002-501-817 |
0.60 |
CC1C=CC[C@H]([C@H]1C(O)=O)C(O)=O
|
|
| MolPort-002-135-154 |
0.60 |
CC1C=CC(C)C(C1C(O)=O)C(O)=O
|
|
| MolPort-002-911-141 |
0.60 |
CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-002-911-148 |
0.60 |
CCC1=C2CCC3C4CC[C@](C)(O)C4(C)CCC3C2(C)CCC1=O
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|
| MolPort-002-911-151 |
0.60 |
C[C@]1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC12C
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|
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0.60 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
|
|
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0.60 |
C[C@]12C[C@H](O)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
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0.60 |
C[C@]1(CCC[C@]2(C)[C@@H]1[C@@H](O)C[C@@]13C[C@@](O)(CC=C21)C(=C)C3=O)C(O)=O
|
|
| MolPort-046-647-049 |
0.60 |
OC(=O)C1=C[C@@H]2CCCC[C@H]12
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|
| MolPort-002-526-574 |
0.60 |
CC(=O)C1=CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-116-770 |
0.60 |
CC(=O)C1=C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-002-526-521 |
0.60 |
C[C@]12C[C@@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CCC2=O
|
|
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0.60 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
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| MolPort-046-687-439 |
0.60 |
CCCCCC(O)\C=C\C=C/CCCCCCCC(=O)OCC
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|
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0.60 |
CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
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0.60 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)C3CC[C@]12C
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|
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0.60 |
CC(=O)C1=C(C)CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
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|
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0.60 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
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0.60 |
C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
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0.60 |
CC(=O)C1=C(C)CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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0.60 |
CCCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
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|
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0.60 |
CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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|
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0.60 |
CCCC1(CCC1)[C@H](O)C\C=C\[C@H]1C(O)CC(=O)C1CCCCCCC(O)=O
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|
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0.60 |
CC12CCCC(C)(C)C1CC=C2C(O)=O
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0.60 |
OC(=O)C1CC2C=CC1C21CC1
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CC(=C)CCCC(O)=O
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0.60 |
C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(C)=C
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|
| MolPort-025-497-618 |
0.60 |
CC(C)CC(CCC=C)C(O)=O
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|
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0.60 |
CC\C=C/C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O
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0.60 |
CCCCC\C=C/C=C/C(O)C\C=C/C\C=C/CCCC(O)=O
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0.60 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(C=O)C3CC[C@]12C
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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
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0.60 |
CC(C)CCCC(C)C1CCC2[C@H](C(CC[C@]12C)[C@@]1(C)CCC=CC1=O)C(O)=O
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0.60 |
CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1C\C=C/CCCC(O)=O
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CCCCC(C)(C)[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1C\C=C/CCCC(O)=O
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|
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0.60 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(CO)CC[C@H]21
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0.60 |
CC1(CC(O)C2(C1)CCC1C(C)(CCCC1(C)C2=O)C(O)=O)C=C
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|
| MCULE-9003092096 |
0.60 |
[Na+].C12(CCC(C(C)(C)C1=C)C2)C(=O)[O-]
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|
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0.60 |
C1CC(C(C1(CC(=O)O)C)CC/C(=C/CCC(=O)C)/CO)C(C)(C)O
|
|
| MCULE-1657159254 |
0.60 |
[C@@]12(C)[C@@H](O)CC[C@@]1([H])[C@]1([C@@]([H])([C@H]3CCC(C=C3CC1)=O)CC2)[H]
|
|
| MCULE-3841271177 |
0.60 |
C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2
|
|
| MCULE-8621711737 |
0.60 |
C12([H])CCC=CCCC1(C2C(OC)=O)[H]
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|
| MCULE-3333652397 |
0.60 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2O)C)=O
|
|
| MCULE-9131674305 |
0.60 |
O=C1CCC2(C)C3CCC4(C)C(CO)CCC4C3CCC2=C1
|
|
| MCULE-3946245376 |
0.60 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(C)O)C)=O
|
|
| MCULE-6557448423 |
0.60 |
C12CC[C@@](O)(C)C1(C)CCC1C3CCC(=O)CC=3CCC21
|
|
| MCULE-3945869814 |
0.60 |
C12C(=O)C[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CCC1C=2CC[C@@]2([C@]1(C)CC[C@@H](O)C2)[H]
|
|
| MCULE-2217416730 |
0.60 |
C1C(C)C(C(O)=O)(C)C(C(O)=O)CC=1
|
|
| MCULE-4241274271 |
0.60 |
C1(=O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
|
|
| MCULE-1243088880 |
0.60 |
C1=CC(C)C(C(=O)O)C(C(=O)O)C1
|
|
| MCULE-1294118086 |
0.60 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)=O
|
|
| MCULE-7998597001 |
0.60 |
C[C@H]1[C@H]2[C@H]3[C@](C)(CC[C@@H]2[C@@H]2C(=CC(CC2)=O)C1)[C@](O)(C)CC3
|
|
| MCULE-4861738664 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC=C2C[C@H]1O
|
|
| MCULE-4464327459 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-5274452426 |
0.60 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
|
|
| MCULE-5364659016 |
0.60 |
[C@H]1(CC2[C@](C)(CC1)[C@]1([H])C([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)C=C[C@@H](C(C)C)C)CC3)=CC=2)O
|
|
| MCULE-6436563816 |
0.60 |
C(CCCCCC)CC1CC=1CCCCCCCC(=O)OC
|
|
| MCULE-1065645853 |
0.60 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2(C)O)C)=O
|
|
| MCULE-3600015331 |
0.60 |
C12=CC=C3C(C)(CCC(O)C3)C1CCC1(C)C(CCC12)C(C)C=CC(C)C(C)C
|
|
| MCULE-5063748511 |
0.60 |
C12CCC3=CC([C@H](C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
|
|
| MCULE-8721567365 |
0.60 |
[C@@]12(C)C(O)CC[C@@]1([H])[C@]1([C@@]([H])(C3CCC(C=C3CC1)=O)CC2)[H]
|
|
| MCULE-2964563648 |
0.60 |
C1(C(C)C=CC(C)C1C(O)=O)C(O)=O
|
|
| MCULE-1660040884 |
0.60 |
C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4)([H])[C@]1([H])CC[C@@]2(O)C
|
|
| MCULE-8862999040 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)C=C[C@H](C)C(C)C)CC[C@@]4([H])C3=CC=C2C[C@H]1O
|
|
| MCULE-1990275167 |
0.60 |
C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
|
|
| MCULE-2960890696 |
0.60 |
C12C(C(=O)O)C3C4C(C(C(=O)O)C(C14)C=C2)C=C3
|
|
| MCULE-7926334535 |
0.60 |
CCC/C=C/C=C/C(CCCC(=O)OC)C(=O)O
|
|
| MCULE-8942246758 |
0.60 |
C1(C(O)=O)CC(=O)/C(=C(/C2CC2)\O)/C(=O)C1
|
|
| MCULE-6355846723 |
0.60 |
C1CC2=CC(=O)/C(/C[C@]2(C)[C@H]([C@@H]1O)C)=C(\C)/C
|
|
| MCULE-4687201971 |
0.60 |
C1C[C@@]2(C)C3=CC[C@@]4(O)C(=C)C(=O)[C@@]3(C4)C[C@H](O)[C@]2([H])[C@](C)(C(=O)O)C1
|
|
| MCULE-9337389884 |
0.60 |
C(C)(=O)OC1CC2(CC=C3C(=CCC4(C)C(C(C)CCC(OC)=O)CCC43)C2(C)CC1)[H]
|
|
| MCULE-2991720663 |
0.60 |
C123C(C([H])(O)C1=O)(CC=CC2)CC=CC3
|
|
| MCULE-1842199780 |
0.60 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-2665091779 |
0.60 |
C12(CO)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(CO)=O)[H]
|
|
| MCULE-6005158959 |
0.60 |
CC1CC(CC2CC=CC2)(O)CCC1
|
|
| MCULE-8807729080 |
0.60 |
[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)=O
|
|
| MCULE-7590026618 |
0.60 |
CC1C(CC2CC=CC2)(O)CCCC1
|
|
| MCULE-9661805986 |
0.60 |
C1CC2[C@]([C@H]([C@@H]1O)C)(C)C=C(C(C)=C)C(=O)C=2
|
|
| MCULE-4280394560 |
0.60 |
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-7502094563 |
0.60 |
OC1(CCCCC1)CC1CC=CC1
|
|
| MCULE-4586192863 |
0.60 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)=O
|
|
| MCULE-7634595841 |
0.60 |
C1CC2(C)C(=O)C3(CC(C=C)(C)CC3O)CCC2C(C(=O)O)(C)C1
|
|
| MCULE-3069989292 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-3416956201 |
0.60 |
C1C=C2C(C(=O)O)C(CCCC2)=CC=1
|
|
| MCULE-4823405948 |
0.60 |
[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(CC[C@]21C)=O)=O
|
|
| MCULE-3985606919 |
0.60 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C(=O)O)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)C
|
|
| MCULE-2011201542 |
0.60 |
[C@]12(C)CCC([C@H](C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC=CC1=O
|
|
| MCULE-5031139336 |
0.60 |
C12(C3C=CC1C(C3)C(O)=O)CC2
|
|
| MCULE-2506206785 |
0.60 |
[C@@]12(C)C(=O)CCC1[C@]1(C([C@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-2582951504 |
0.60 |
C1CC2(C)C(C(O)=O)=CCC2C(C)(C)C1
|
|
| MCULE-3556525470 |
0.60 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC(C)=C2C(C)=O
|
|
| MCULE-7594353501 |
0.60 |
C1C[C@@]2(C)C3=CC[C@@]4(O)C(=C)C(=O)[C@@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
|
|
| MCULE-8494008475 |
0.60 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-5362337107 |
0.60 |
C12(C)C(C(C)CCC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2=CC1O)O
|
|
| MCULE-6950544067 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCC(OC)=O)[H]
|
|
| MCULE-2247897001 |
0.60 |
COC(C1C2(C)C(C3C(CC2)C2(C)C(CC(CC2)O)=CC3)CC1)=O
|
|
| MCULE-3860629045 |
0.60 |
C12=CC(O)(C(C)C)CCC1C1(C(C(C(O)=O)(C)CCC1)CC2=O)C
|
|
| MCULE-2036056204 |
0.60 |
C1CC2(C)C=C(C(=O)O)C(O)CC2C(C)(C)C1
|
|
| MCULE-1397397840 |
0.60 |
O=C1CCC2(O)C3CCC4(C)CC(O)CC4C3CCC2=C1
|
|
| MCULE-2479536906 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(OC)=O)[H]
|
|
| MCULE-3224437967 |
0.60 |
C1CC23CC42CCC2(C)C(C(/C=C/C=C(\C)/C(=O)O)C)CCC2(C)C4CCC3C(C)(C)C1=O
|
|
| MCULE-9358355806 |
0.60 |
C1=CCC23CCCCC2(C3(C(OC)=O)[H])C1
|
|
| MCULE-3304274375 |
0.60 |
C12=CCC(C)C1CC1(O)C(C)(CO)C2(C)CC1=O
|
|
| MCULE-8805854090 |
0.60 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
|
|
| MCULE-3392411245 |
0.60 |
[C@]12(O)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
|
|
| MCULE-7240141445 |
0.60 |
[C@@]12([H])CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
|
|
| MCULE-4849477341 |
0.60 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CO)=C
|
|
| MCULE-3305395898 |
0.60 |
C12C3C4C5C1C(C1C5C5C4C(C(O)C5C1=O)C3=O)C=C2
|
|
| MCULE-2404322318 |
0.60 |
C(=O)(CC(O)C/C=C\CCCCCC)O
|
|
| MCULE-4184081183 |
0.60 |
C12C3C(O)(C)CC(C13)C=CC=C2
|
|
| MCULE-4617598220 |
0.60 |
CC(C1(C(O)=O)CC2(CCC2)C1)C=C
|
|
| MCULE-1327121373 |
0.60 |
CC(CC1(C(O)=O)CC2(CCC2)C1)=C
|
|
| MCULE-1881964892 |
0.60 |
C(CCCC=CCCCC(O)=O)(O)=O
|
|
| MCULE-1585616264 |
0.60 |
C1[C@@H](O)[C@]2(C)CC[C@]([H])(/C=C(/C)\C)[C@@]2([H])[C@](O)(C)C1
|
|
| MCULE-4098753787 |
0.60 |
C12C(=O)CCC(C(=C)CCC1C(C)(C)C2)O
|
|
| MCULE-5486459234 |
0.60 |
OC(C1(CC2(CCC2)C1)CC=C)=O
|
|
