| MolPort-035-683-171 |
0.96 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-039-052-417 |
0.96 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-035-683-186 |
0.96 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MCULE-5998876996 |
0.96 |
O(C(C)=O)[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]12
|
|
| MCULE-2403352810 |
0.96 |
C12=CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
|
|
| MCULE-2054566768 |
0.96 |
[C@@]12(C)CC[C@]3(CCC(C)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)OC(C)=O)CC[C@@]21C)C)C(O)=O
|
|
| MolPort-001-742-502 |
0.94 |
COC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2
|
|
| MolPort-046-592-361 |
0.94 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CCC3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-044-649-784 |
0.94 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-044-649-712 |
0.94 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MCULE-1480805765 |
0.94 |
CCOC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-1988011337 |
0.94 |
CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)C
|
|
| MCULE-5029800865 |
0.94 |
CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)(C)C
|
|
| MCULE-8247739375 |
0.94 |
C12=CCC3C(C)(CCC4C(C(OC(C)=O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(OC)=O
|
|
| MCULE-1316925332 |
0.94 |
CC(OC(C1C2C=CC(CC2)C1)=O)C
|
|
| MCULE-9697672273 |
0.94 |
CC(OC(C1C2C=CC(CC2)C1)=O)(C)C
|
|
| MCULE-3460278496 |
0.94 |
C12CCC(C=C1)CC2C(OCC)=O
|
|
| MCULE-8772466243 |
0.93 |
C1CC23CCOC(=O)C2(CCCC3)CC=1
|
|
| MCULE-8638278493 |
0.93 |
O=C(OC1(CCCCC1)C)C1CC2CC1C=C2
|
|
| MCULE-9975844805 |
0.93 |
O=C(OC1(C2CC3CC(C2)CC1C3)C)C1CC2CC1C=C2
|
|
| MolPort-044-559-905 |
0.92 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@]67CC[C@@H](C)[C@H](C)[C@H]6C6=CCC8[C@@]9(C)CCC(=O)C(C)(C)C9CC[C@@]8(C)[C@]6(C)CC7)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-002-841-866 |
0.92 |
CC(=O)OC1CCC2C3C=CC4C(C)(C)C(=O)CCC4(C)C3CCC12C
|
|
| MCULE-9611860953 |
0.92 |
C(O)(=O)[C@]12[C@@](C3=CC[C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC1)C)C)C(C)(C)[C@@H](OC(=O)[C@]13[C@@](C4=CCC6[C@]7(C)C(CC[C@]6([C@@]4(CC1)C)C)C(C)(C)C(=O)CC7)([H])[C@@H](C)[C@H](C)CC3)CC5)([H])[C@@H](C)[C@H](C)CC2
|
|
| MCULE-2039968402 |
0.92 |
C12(C)CCC(C(C)(C)C1C=CC1C3C(C)(C(CC3)OC(C)=O)CCC21)=O
|
|
| MCULE-9723128082 |
0.91 |
C12CC(C=C1)CC2C(OC1(C)CCCC1)=O
|
|
| MCULE-1470831787 |
0.91 |
C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1OC(=O)C
|
|
| MCULE-8924549531 |
0.91 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@H](C(O)=O)CCC(=C)C(C)C)[C@H](O)C[C@@]4(C)C=3CC[C@@]2([H])C(C)(C)[C@H]1OC(C)=O
|
|
| MCULE-8274191901 |
0.91 |
[C@@]12(C)C[C@H]([C@]([H])([C@H](C(=O)O)CCC(=C)C(C)C)[C@@]1(C)CCC1[C@@]3(C)CC[C@H](OC(=O)C)C(C)(C)[C@]3([H])CCC2=1)O
|
|
| MolPort-019-937-545 |
0.91 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-044-649-707 |
0.91 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-044-649-591 |
0.91 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-044-562-376 |
0.91 |
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](OC(C)=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-006-069-345 |
0.91 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-039-339-016 |
0.90 |
CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-044-637-463 |
0.90 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-035-706-385 |
0.90 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(CO)CC[C@@]32C)C1(C)C
|
|
| MCULE-9253743476 |
0.90 |
CC1([C@H](OC(=O)C)CC[C@@]2(C)[C@H]1CCC1[C@@]3(C)[C@]([C@@H]([C@H](C(=O)O)CC/C=C(/C)\C)CC3)(C)CCC=12)C
|
|
| MCULE-5485844450 |
0.90 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1OC(=O)C
|
|
| MolPort-027-835-567 |
0.89 |
O=C1OC(=O)[C@@H]2[C@H]1[C@@H]1CC[C@@H]2C=C1
|
|
| MolPort-001-764-908 |
0.89 |
O=C1OC(=O)C2C1C1CCC2C=C1
|
|
| MolPort-000-734-484 |
0.89 |
CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(O)=O)C2CC1C1C3C(=O)OC1=O
|
|
| MolPort-035-769-790 |
0.89 |
O=C1OC(=O)C2C1[C@H]1CC[C@@H]2C=C1
|
|
| MolPort-002-516-481 |
0.89 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)OC1=O
|
|
| MolPort-044-649-785 |
0.89 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-027-853-592 |
0.89 |
CC(=O)O[C@@H]1C[C@@]2(C)C(CC[C@]3(C)C2CC=C2C4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C(C)(C)[C@H]1O
|
|
| MCULE-1087443932 |
0.89 |
C1CC2C3C(=O)OC(=O)C3C3CCCCC3=C2CC1
|
|
| MCULE-9103372368 |
0.89 |
C1(=O)C2C3CCC(C=C3)C2C(=O)O1
|
|
| MCULE-8776636782 |
0.89 |
C1CC23C(=O)OC(=O)C2(CCCC3)CC=1
|
|
| MCULE-5454494701 |
0.89 |
C123CCC4C(C)(CCCC4(C)C(O)=O)C1CC(C1C(OC(=O)C21)=O)C(C(C)C)=C3
|
|
| MCULE-8868589151 |
0.89 |
C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-2122490766 |
0.89 |
C1CC23CCCCC2(C(=O)OC3=O)C2CCCCC=12
|
|
| MCULE-1252077735 |
0.89 |
C1CC23CC(=O)OC(=O)C2(CCCC3)CC=1
|
|
| MCULE-5053755296 |
0.89 |
C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1C
|
|
| MCULE-6020138869 |
0.89 |
C1C2CC(CC2C(=O)OC(C)(C)C)C=1
|
|
| MCULE-4463064740 |
0.89 |
C(OCC)(C1CC2CC1C=C2)=O
|
|
| MCULE-2766753223 |
0.89 |
C(=O)(OC(C)C)C1CC2CC1C=C2
|
|
| MCULE-3362275267 |
0.89 |
C1CC=CC2C(C(OCC)=O)C2CC1
|
|
| MolPort-002-508-454 |
0.89 |
CCCOC(=O)C12CCC(C)(C)CC1C1=CCC3[C@@]4(C)CC(O)C(O)C(C)(C)C4CC[C@@]3(C)[C@@]1(C)CC2
|
|
| MolPort-001-793-877 |
0.89 |
CCOC(=O)C1CC2CC1C=C2
|
|
| MolPort-005-938-238 |
0.89 |
CC(C)(C)OC(=O)C1CC2CC1C=C2
|
|
| MolPort-008-346-698 |
0.88 |
CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)C1CC3
|
|
| MCULE-8982382729 |
0.88 |
C12[C@H](C)C[C@]3([C@@]([H])(CC[C@]4([H])C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])CCC=2C(C)CCC(OC)=O)[H]
|
|
| MCULE-6259050360 |
0.88 |
[C@@]12(C)CCC(C(C)CCC(O)=O)[C@@]1(C)CCC1[C@@]3(C(C(C)(C)C(CC3)OC(C)=O)CCC2=1)C
|
|
| MCULE-4992964291 |
0.88 |
C1C2C3CC(CC(=O)C)C3C(C3([H])C(=O)OC(=O)C32[H])C=1
|
|
| MCULE-5641241273 |
0.88 |
O=C1C2C3C=CC(CCCC3)C2C(=O)O1
|
|
| MCULE-1124925533 |
0.88 |
C1(C)CC23CCCCCCCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-5491138764 |
0.88 |
C1(=O)C2C(C)C=C(CC2C(=O)O1)C
|
|
| MCULE-5800803041 |
0.88 |
C1CCCC23C(=O)OC(=O)C2(CC=CC3)CCCCC1
|
|
| MCULE-1244370752 |
0.88 |
C1(CC2CC1C=C2)C(OCCCCOC(C1CCC=CC1)=O)=O
|
|
| MCULE-8016431488 |
0.88 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@]6(C(=O)O[C@@]([H])(C6)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)C
|
|
| MCULE-6412555386 |
0.88 |
[C@@]12(C)CC[C@@]3(C)[C@@]4([H])OC(=O)[C@@](C4)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C
|
|
| MolPort-002-507-055 |
0.88 |
CC1C=C(C)C[C@H]2[C@@H]1C(=O)OC2=O
|
|
| MolPort-000-797-000 |
0.88 |
CC1(C)CCCC2=C1CC1C(C2)C(=O)OC1=O
|
|
| MolPort-000-829-812 |
0.88 |
CC1C=C(C)CC2C1C(=O)OC2=O
|
|
| MolPort-020-005-756 |
0.88 |
C[C@]12C[C@H](OC1=O)[C@]1(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]1C2
|
|
| MolPort-035-706-526 |
0.88 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4C[C@@]5(C)C[C@H](OC5=O)[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MCULE-6809736977 |
0.87 |
COC(C1C2C=CC(CC2)C1)=O
|
|
| MCULE-4894937500 |
0.87 |
[H]C12C=CCCC1(C)C1CC(C3(C)C(C(C)CCC(OC)=O)CCC3C1CC2)OC(C)=O
|
|
| MCULE-7442709707 |
0.87 |
C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1
|
|
| MCULE-7100298727 |
0.87 |
COC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-9777116319 |
0.87 |
C1CC2(C(CCCC2)(CC=1)C(OC)=O)CCC(OC)=O
|
|
| MolPort-035-706-457 |
0.87 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-035-706-392 |
0.87 |
COC(=O)[C@@]12CCC3=C(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1CC(C)(C)CC2
|
|
| MolPort-028-754-123 |
0.87 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-002-691-856 |
0.86 |
CC1=CC2C3C(C4C3C(=O)OC4=O)C1C1C2C(=O)OC1=O
|
|
| MCULE-9683452020 |
0.86 |
C12C3C(C)=CC(C4C3C3C4C(OC3=O)=O)C1C(OC2=O)=O
|
|
| MCULE-9425225826 |
0.86 |
C1(C)CC23CCCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-1795899971 |
0.86 |
C1CC23C(=O)OC(=O)C2(CCC3)CC=1
|
|
| MCULE-2769077006 |
0.86 |
C1CC23CC(C)(C)CC2(C(=O)OC3=O)CC=1
|
|
| MCULE-7609787636 |
0.86 |
O1C(=O)C2C(CC(=CC2)C)C1=O
|
|
| MCULE-1413309866 |
0.86 |
CC1CC2C(OC(=O)C2CC=1C)=O
|
|
| MCULE-3824820609 |
0.86 |
C1(C)CC2(C(=O)OC(=O)C2(C)CC=1)C
|
|
| MCULE-1531690228 |
0.86 |
C1(COC(=O)C)C(C(=O)O)CC(C)=CC1
|
|
| MolPort-000-154-940 |
0.86 |
CC1=C(C)CC2C(C1)C(=O)OC2=O
|
|
| MolPort-001-018-394 |
0.86 |
CC1=CCC2C(C1)C(=O)OC2=O
|
|
| MolPort-002-525-526 |
0.85 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-002-169-466 |
0.85 |
CC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4CC(C)(CCC4(C)CCC32C)C(O)=O)C1(C)C
|
|
| MolPort-030-082-369 |
0.85 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-002-524-866 |
0.85 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
|
|
| MolPort-039-338-335 |
0.85 |
C[C@@]12CC[C@H]3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)CC[C@H]2[C@H]1COC(=O)C1
|
|
| MolPort-028-196-343 |
0.85 |
O=C(CC1CCCC1)OCC1CCC=CC1
|
|
| MolPort-001-764-881 |
0.85 |
O=C1OC(=O)C2C1C1C=CC2C2C1C(=O)OC2=O
|
|
| MolPort-002-088-576 |
0.85 |
OC(=O)C1C2CC(C=C2)C1C(=O)OC1CC2CCC1C2
|
|
| MolPort-004-951-336 |
0.85 |
O=C1OC(=O)C2C1C1C=CC2C2CC12
|
|
| MolPort-001-766-634 |
0.85 |
CC1CCC2=C(C)C3C4C(C(=O)OC4=O)C2(C1)C1C3C(=O)OC1=O
|
|
| MolPort-000-145-850 |
0.85 |
CC1=CC2(C)C3C(C1C1C2C(=O)OC1=O)C(=O)OC3=O
|
|
| MCULE-2014291882 |
0.85 |
C(OCC)(C1CC=C2C1(C)CCC1C2CCC2(O)CC(O)CCC21CO)=O
|
|
| MCULE-3754202975 |
0.85 |
C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-6906348244 |
0.85 |
C(C)(=O)OC1CCC2(C)C([H])(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21C)=O
|
|
| MCULE-8166977907 |
0.85 |
O=C(OCC1CC=CCC1)CC1CCCC1
|
|
| MCULE-2602485743 |
0.85 |
C123CC(C)CCC1=C(C(C1C(OC(=O)C21)=O)C1C(OC(=O)C31)=O)C
|
|
| MCULE-5393900833 |
0.85 |
C(C)(=O)OC1CCC2(C)C3(C4C(OC(C4C4(C5CCC(C(C)C=CC(C)C(C)C)C5(C)CCC42[H])C=C3)=O)=O)C1
|
|
| MCULE-3458261213 |
0.85 |
C12C3C(=O)OC(=O)C3C(C3C1C(=O)OC3=O)C=C2
|
|
| MCULE-9897298185 |
0.85 |
C12C(C(=O)OC1=O)C13CCCCC1=CC2C1C(=O)OC(=O)C31
|
|
| MCULE-1400366705 |
0.85 |
[C@H]12C[C@H]1[C@H]1C=C[C@@H]2[C@@H]2C(=O)OC(=O)[C@@H]21
|
|
| MCULE-7155641625 |
0.85 |
C(=O)(OC1CC2CC1CC2)C1C(C(O)=O)C2CC1C=C2
|
|
| MCULE-5289910824 |
0.85 |
C12CC1C1C=CC2C2C(=O)OC(=O)C21
|
|
| MCULE-3232378757 |
0.85 |
C12(C)C=C(C)C(C3C(OC(=O)C13)=O)C1C(OC(=O)C21)=O
|
|
| MCULE-1729468181 |
0.85 |
C1=CC2C3CC(=O)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-4967241885 |
0.85 |
C1(C)C2C3C(=O)OC(=O)C3C(C2)C=1
|
|
| MCULE-9416510641 |
0.85 |
C1(=O)[C@H]2[C@H]3C[C@H](C=C3)[C@H]2C(=O)O1
|
|
| MCULE-7015396651 |
0.85 |
C12C(=O)OC(=O)C1C1CCCC2C=C1
|
|
| MCULE-3179520262 |
0.85 |
C1(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C(=O)O1
|
|
| MCULE-9368478699 |
0.85 |
O=C1[C@]2([H])[C@]([C@@]3(C=C[C@@]2([H])C3)[H])(C)C(=O)O1
|
|
| MCULE-5816353779 |
0.85 |
O1C(=O)C2C(CC(=CC2)CC/C=C(\C)/C)C1=O
|
|
| MCULE-7212307650 |
0.85 |
C1CC2CC1C1=C2C2CC1C1C(=O)OC(=O)C12
|
|
| MCULE-8117200139 |
0.85 |
[C@]12([H])C(=O)OC(=O)[C@@]1([H])[C@]1([H])C[C@@]2([H])C(=C1)C
|
|
| MCULE-7718531263 |
0.85 |
C1(=O)C2C3CC(C=C3)C2C(=O)O1
|
|
| MCULE-1210480263 |
0.85 |
C1CC(C(=O)OCC)CCC=1
|
|
| MolPort-044-723-995 |
0.85 |
C[C@@]12[C@H]3C[C@H](C=C3)[C@@H]1C(=O)OC2=O
|
|
| MolPort-000-860-893 |
0.85 |
O=C1OC(=O)C2C3CC(C=C3)C12
|
|
| MolPort-006-109-285 |
0.85 |
O=C1OC(=O)[C@@H]2[C@@H]3C[C@@H](C=C3)[C@H]12
|
|
| MolPort-004-956-447 |
0.85 |
O=C1OC(=O)[C@@H]2[C@H]3C[C@H](C=C3)[C@H]12
|
|
| MolPort-023-220-384 |
0.85 |
O=C1OC(=O)C2[C@@H]3C[C@@H](C=C3)C12
|
|
| MolPort-039-144-848 |
0.85 |
O=C1OC(=O)C2[C@H]3C[C@@H](C=C3)C12
|
|
| MolPort-044-729-631 |
0.85 |
C[C@]12[C@@H]3C[C@@H](C=C3)[C@H]1C(=O)OC2=O
|
|
| MolPort-000-718-038 |
0.85 |
CC(C)=CCCC1=CCC2C(C1)C(=O)OC2=O
|
|
| MolPort-006-121-317 |
0.85 |
CCOC(=O)C1CCC=CC1
|
|
| MolPort-001-569-828 |
0.84 |
CC1CCC2C(CC=C3CC(CC[C@]23C)OC(C)=O)C1=O
|
|
| MolPort-001-742-706 |
0.84 |
CC(=O)OC1CC2C(CC1(C)C=C)=CCC1C2(C)CCCC1(C)C(O)=O
|
|
| MCULE-9909269217 |
0.84 |
C1CC21C(C1C(=O)OC(=O)C1)C=CC2C
|
|
| MCULE-7037894510 |
0.84 |
[C@]12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
|
|
| MCULE-7005445792 |
0.84 |
C1CC2(C)C(C(C(=O)O)(C)C1)CC=C1C2CC(OC(C)=O)C(C)(C=C)C1
|
|
| MCULE-3981843538 |
0.84 |
C12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
|
|
| MCULE-2122796304 |
0.84 |
C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(OCC)=O)=O
|
|
| MCULE-2935787590 |
0.84 |
O=C1C=CC2(C)C(C1)(CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H]
|
|
| MCULE-5015030206 |
0.84 |
CCCCCCCCCCCCCCCCCCOC([C@]1(CC[C@@]2(C)[C@](C3=CC([C@]4([C@](CC[C@@]5([C@@]4(CC[C@](O)(C5(C)C)[H])C)[H])(C)[C@]3(C)CC2)[H])=O)(C1)[H])C)=O
|
|
| MCULE-8267556474 |
0.84 |
C12C3C(C)(CCC(C)(C3)C(=O)OC3CCCCC3C)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-6905450558 |
0.84 |
O1C(=O)CC(CC=CCCCCCC)C1=O
|
|
| MCULE-7772727437 |
0.84 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)[H]
|
|
| MCULE-5243784193 |
0.84 |
C(OCCCCCCCCCCCCCCCCCC)(=O)[C@@]1(C[C@@]2(C3=CC([C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC[C@]2(CC1)C)C)C)C(C)(C)[C@H](CC5)O)=O)[H])C
|
|
| MCULE-1158025792 |
0.84 |
O=C1CC(CC=CCCCCCCCCCCCCCCC)C(=O)O1
|
|
| MCULE-6478036230 |
0.84 |
C1CC2(COC(=O)C2([H])CC=1)C
|
|
| MCULE-7226741017 |
0.84 |
C12(C3C=CC(C45C=CC34CC=CC5)C1([H])C(=O)OC2=O)[H]
|
|
| MCULE-2603538836 |
0.84 |
C12C(C(=O)OC1=O)C1C=CC2C23CCCCC12C=C3
|
|
| MCULE-8643661135 |
0.84 |
O=C1C2C3C4C=CC4C(C=C3)C2C(=O)O1
|
|
| MCULE-6074226479 |
0.84 |
C1=CC2C3C4CCCCC=4C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-3146262991 |
0.84 |
C1=CC2C3C=C(C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-6690425983 |
0.84 |
C1=CC2C3C(C)=C(C)C3C1C1C(=O)OC(=O)C12
|
|
| MolPort-023-221-738 |
0.84 |
CCCCCCCCCCCCCCCCCCOC(=O)[C@@]1(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)C5CC[C@@]34C)[C@H]2C1
|
|
| MolPort-001-760-741 |
0.84 |
CCCCCCCCC\C=C\CC1CC(=O)OC1=O
|
|
| MolPort-003-935-397 |
0.84 |
CCCCCCCCCCCCCCCCCCOC(=O)[C@@]1(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-035-706-554 |
0.84 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-046-761-785 |
0.84 |
CC1(C)CCC2=C1CC[C@H]1[C@H]2CC[C@H]2CC(=O)OC[C@]12C
|
|
| MolPort-035-706-393 |
0.83 |
COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-002-911-096 |
0.83 |
CC12CCC3C(C1CC[C@@]21CCC(=O)O1)[C@@H](CC1=CC(=O)CCC31C)C(=O)OC1CCCC1
|
|
| MolPort-046-765-478 |
0.83 |
COC(=O)[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33CCC(=O)O3)C12
|
|
| MolPort-046-418-888 |
0.83 |
CC(C)OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-004-951-461 |
0.83 |
O=C1OC(=O)C2C1C1C=CC2C11CC1
|
|
| MolPort-002-139-577 |
0.83 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CC=CCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-044-649-781 |
0.83 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(F)(F)F)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-002-509-633 |
0.83 |
CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CC=CCC45C(C)=O)C3CC=C2C1
|
|
| MCULE-1777552821 |
0.83 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4C[C@@H](C(=O)OC(C)C)[C@@]3([H])[C@]1([H])CC[C@]12CCC(=O)O1)C
|
|
| MCULE-7076095662 |
0.83 |
O=C(C1CCCC1)OCC1CC=CCC1
|
|
| MCULE-5544927487 |
0.83 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@](C)(C(OC)=O)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
|
|
| MCULE-2883797701 |
0.83 |
C1(CC2C3=CCC4C5(C(CCC4(C)C3(C)CCC2(C(=O)O)CC1)C(CO)(C)C(O)C(O)C5)C)(C(=O)OC)C
|
|
| MCULE-1607221597 |
0.83 |
C12C3C(=O)OC(=O)C3C(C31CC3)C=C2
|
|
| MCULE-5531778494 |
0.83 |
[C@@]12(CCC(=O)O1)CCC1C3[C@H](C(=O)OC4CCCC4)CC4=CC(CCC4(C)C3CCC21C)=O
|
|
| MCULE-8457539977 |
0.83 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C=3CCC2(C1)[H])OC(C)=O)=O
|
|
| MCULE-4359391178 |
0.83 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1([H])CC=CCC21C(C)=O
|
|
| MCULE-3397065732 |
0.83 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(C)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
|
|
| MCULE-4073913947 |
0.83 |
C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(OC(C)=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-7995984986 |
0.83 |
CCCCC(CC)COC(C1CC=CCC1C(OCC(CC)CCCC)=O)=O
|
|
| MCULE-3541447914 |
0.83 |
C(=O)(OCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-5174909262 |
0.83 |
C(CCCCCCCC=CCCCCCCCC)(OCCCC)=O
|
|
| MCULE-6716714175 |
0.83 |
C1CC(C)=CCC1C(C)(C)OC(=O)C
|
|
| MCULE-1124335251 |
0.83 |
C(OC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCCC
|
|
| MCULE-2997418374 |
0.83 |
C(OCC(CC)CCCC)(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-7832981899 |
0.83 |
C(OC)(=O)C1CCC(=CC1)C
|
|
| MCULE-5465935467 |
0.83 |
C12C(C)(C)CCCC=1CC(C)C(COC(C)=O)C2
|
|
| MCULE-7920901589 |
0.83 |
C1C(C(=O)OC)(C)CC(C)=C(C)C1
|
|
| MolPort-044-755-228 |
0.83 |
CC(=O)O[C@H]1CCC2=C3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C[C@@H](O)[C@]2(C)C1
|
|
| MolPort-002-510-316 |
0.83 |
CC(=O)O[C@@H]1C[C@@]2(C)C(CCC2C(C)=O)C2CCC3=CC(=O)CC[C@]3(C)C12
|
|
| MolPort-028-747-757 |
0.83 |
CCCCC(CC)COC(=O)C1CC=CCC1C(=O)OCC(CC)CCCC
|
|
| MolPort-046-793-308 |
0.83 |
CCCCCCCOC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-001-783-805 |
0.83 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCCCC
|
|
| MolPort-006-113-596 |
0.83 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-006-115-611 |
0.83 |
CCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-003-939-461 |
0.83 |
CC(=O)OC(C)(C)C1CCC(C)=CC1
|
|
| MolPort-006-126-442 |
0.83 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-006-127-334 |
0.83 |
CCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-002-524-912 |
0.83 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CCC3[C@@]4(C)CC[C@@H](O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-044-561-394 |
0.83 |
CCCCCC\C=C/CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
|
|
| MolPort-006-130-833 |
0.83 |
COC(=O)C1(C)CCC(C)=CC1
|
|
| MolPort-044-183-353 |
0.83 |
CCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-044-183-360 |
0.83 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
|
|
| MolPort-044-183-363 |
0.83 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
|
|
| MolPort-044-183-372 |
0.83 |
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
|
|
| MolPort-044-649-704 |
0.83 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-044-561-392 |
0.83 |
CCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
|
|
| MolPort-044-561-383 |
0.83 |
CCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-044-561-662 |
0.83 |
CCCCCCCCC(CCCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-044-561-663 |
0.83 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
|
|
| MolPort-006-712-929 |
0.83 |
COC(=O)C1CCC(C)=CC1
|
|
| MolPort-006-124-971 |
0.83 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)CCCC
|
|
| MolPort-001-921-994 |
0.83 |
CC1CC2=C(CC1COC(C)=O)C(C)(C)CCC2
|
|
| MolPort-046-793-309 |
0.83 |
CCCCCCCCCCOC(=O)CCCCCCC\C=C\CCCCCCCC
|
|
| MolPort-044-649-592 |
0.83 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-006-116-794 |
0.82 |
CC1C=CCC2C1C(=O)OC2=O
|
|
| MolPort-046-676-324 |
0.82 |
C[C@@H]1C=CC[C@H]2[C@@H]1C(=O)OC2=O
|
|
| MolPort-035-706-316 |
0.82 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2[C@H]1C)OC(C)=O
|
|
| MolPort-020-005-743 |
0.82 |
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-046-594-234 |
0.82 |
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C
|
|
| MolPort-006-111-314 |
0.82 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-762-562 |
0.82 |
CC(=O)OC1(C)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
|
|
| MolPort-044-755-207 |
0.82 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-508-571 |
0.82 |
CC(=O)O[C@H]1CCC2[C@@H]3CCC4=CC(=O)CCC4C3CC[C@]12C
|
|
| MolPort-046-596-285 |
0.82 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-596-338 |
0.82 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CC[C@]12C
|
|
| MolPort-002-528-923 |
0.82 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-003-873-418 |
0.82 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-006-823-213 |
0.82 |
CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MCULE-4026127058 |
0.82 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2=1)=O)[H]
|
|
| MCULE-9194849346 |
0.82 |
C1C=CC(C)C2C(=O)OC(=O)C12
|
|
| MCULE-2188882812 |
0.82 |
C1C([H])(C)C2([H])C(=O)OC(=O)C2([H])C([H])(C)C=1
|
|
| MCULE-2457325018 |
0.82 |
C1CC(CCCCC(OCC)=O)CCC=1C
|
|
| MCULE-2182894320 |
0.82 |
CC(OC(CCC(C(O)(C1C2(C)CC(C3(C)C4CC(O)C(O)C(C)(C)C4=CCC3C2(C)CC1O)=O)C)=O)(C)C)=O
|
|
| MCULE-9824682578 |
0.82 |
[C@@]12(C)C[C@H]([C@]([H])([C@@](C)(O)C(CCC(C)(C)OC(C)=O)=O)[C@@]1(C)CC(=O)[C@@]1(C)[C@]3(C(C(C)(C)[C@@H]([C@@H](O)C3)O)=CC[C@]12[H])[H])O
|
|
| MCULE-8824249409 |
0.82 |
C1=CC2C3C=C(C4CC4)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-1850569909 |
0.82 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CCC43)C1CC[C@@H]2OC(C)=O
|
|
| MCULE-3173207342 |
0.82 |
C(O[C@@H]1[C@]2(C)[C@H]([C@H]3[C@H](CC2)[C@]2(C)C(=CC(=O)CC2)CC3)CC1)(=O)C
|
|
| MCULE-5241313012 |
0.82 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O
|
|
| MCULE-3758685184 |
0.82 |
O(C(C)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O
|
|
| MCULE-6913740702 |
0.82 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)([H])OC(C)=O
|
|
| MCULE-9650544498 |
0.82 |
[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)OC(=O)C
|
|
| MCULE-8227756693 |
0.82 |
C1(=O)C2C(C)C(C)=CC(/C=C(/C)\C)C2C(=O)O1
|
|
| MCULE-4168657248 |
0.82 |
[C@H]1(CCC(=O)CCCCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C
|
|
| MCULE-6276076551 |
0.82 |
C(OC)(C1CCC2C1(C)CCC1C=2CCC2(O)CC(O)CCC21CO)=O
|
|
| MCULE-1191180792 |
0.82 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CC=C2C1)=O)=O
|
|
| MCULE-5549232456 |
0.82 |
[C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-7580027619 |
0.82 |
C12C(C=C1)C1C(=O)OC(=O)C21
|
|
| MCULE-6763312421 |
0.82 |
[C@]12(C)CC(OC(C)=O)C(C(C)(C)C1CC[C@]1(C)C2CC=C2C1(C)CCC1(CCC(C)(C)CC12)C(OCCC)=O)OC(C)=O
|
|
| MCULE-2660227283 |
0.82 |
C12(C)CC=C3C(CCC4([H])CC(=O)CCC34C)C1CC(C)C2(O)C(=O)COC(C)=O
|
|
| MCULE-2662745028 |
0.82 |
C[C@@]12[C@H]3C(C=C4[C@@H]5C[C@@]6(C)C(=O)O[C@@H]([C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]1C(C)(C)[C@@H](O)CC2)C6)=O
|
|
| MCULE-8110589241 |
0.82 |
C12CC1C1C=CC2C(C1C(=O)OC(C)C)C(O)=O
|
|
| MolPort-035-874-124 |
0.82 |
CC1C2C(C(C=C(C)C)C=C1C)C(=O)OC2=O
|
|
| MolPort-028-610-012 |
0.82 |
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-039-338-911 |
0.82 |
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-003-850-810 |
0.82 |
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-027-640-939 |
0.82 |
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-019-990-913 |
0.82 |
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(=O)OC(C)C
|
|
| MolPort-002-510-498 |
0.82 |
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)COC(C)=O
|
|
| MolPort-046-156-417 |
0.82 |
C[C@@]12C[C@@H](OC1=O)[C@]1(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]1C2
|
|
| MolPort-010-969-194 |
0.82 |
CC1CC2C3CCC4CC(=O)CCC4(C)C3=CCC2(C)C1(O)C(=O)COC(C)=O
|
|
| MolPort-000-776-376 |
0.82 |
CCCOC(=O)C12CCC(C)(C)CC1C1=CCC3[C@@]4(C)CC(OC(C)=O)C(OC(C)=O)C(C)(C)C4CC[C@@]3(C)C1(C)CC2
|
|
| MolPort-046-596-261 |
0.82 |
C[C@@H]1CC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-039-338-282 |
0.82 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-035-706-364 |
0.82 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-003-698-563 |
0.81 |
COC(=O)C1CC2CC1C=C2
|
|
| MolPort-001-762-335 |
0.81 |
COC(=O)C1CC2CC1C=C2
|
|
| MolPort-003-938-896 |
0.81 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-046-418-349 |
0.81 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-027-728-401 |
0.81 |
CCOC(=O)CC1CCC=C1
|
|
| MolPort-046-418-348 |
0.81 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC([C@@H]4CC[C@@]3(C)[C@]1(C)CC2)=C(C)C
|
|
| MolPort-021-782-997 |
0.81 |
CCCCCCCC\C=C\CCCCCCCC(=O)OC(=O)CCCCCCC\C=C\CCCCCCCC
|
|
| MolPort-009-014-420 |
0.81 |
CC(=O)OC(C)(C)[C@H]1CC=C(C)C(=O)C1
|
|
| MCULE-2449230661 |
0.81 |
C1(CC2CC1C=C2)C(OC)=O
|
|
| MCULE-3344154059 |
0.81 |
O=C1CCC2(C3C(CC4(C)C(CCC4C3CCC2=C1)OC(C)=O)OC(C)=O)[H]
|
|
| MCULE-5593960668 |
0.81 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)OC(CC)=O
|
|
| MCULE-3134302963 |
0.81 |
C(OC(=O)CCCCCCCC=CCCCCCCCC)(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-4795427452 |
0.81 |
C(C1CC=C(C)C(=O)C1)(C)(C)OC(=O)C
|
|
| MCULE-4012121864 |
0.81 |
[C@@H]1(CC=C(C)C(=O)C1)C(C)(C)OC(=O)C
|
|
| MCULE-4172470592 |
0.81 |
C(C)(=O)OC1CCC2(C)C(C1)(C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])=O)[H]
|
|
| MCULE-5488659453 |
0.81 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CC)=O)C)=O
|
|
| MCULE-7045925975 |
0.81 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-8627319345 |
0.81 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CC)=O)C)=O
|
|
| MCULE-8392201259 |
0.81 |
C[C@@]12[C@@H](OC(=O)CCCCCCCCC)CC[C@]1([C@]1([C@]([C@@]3(C(=CC(=O)CC3)CC1)[H])([H])CC2)[H])[H]
|
|
| MCULE-1602734224 |
0.81 |
O(C(CCCCCC)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O
|
|
| MCULE-1044387998 |
0.81 |
C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)CCC5CCCC5)CCC4C3CCC2=C1
|
|
| MCULE-5866611081 |
0.81 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-9000317976 |
0.81 |
O=C(CCC1CCCC1)O[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1
|
|
| MCULE-7584425650 |
0.81 |
C1CC2(C)C(=O)OC(=O)C2(C)CC=1
|
|
| MCULE-9323409980 |
0.81 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-7343644414 |
0.81 |
C[C@@]12CC[C@@]3([H])C([C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)C1=CC[C@]1([H])[C@]3([H])C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@@]21C)(C)C
|
|
| MCULE-5822421820 |
0.81 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCCCCCCCC)=O)C)=O
|
|
| MCULE-3608441851 |
0.81 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2OC(CCCCCCCCC)=O)[H]
|
|
| MCULE-2384003351 |
0.81 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCCCCCCCC)=O)C)=O
|
|
| MCULE-7382046053 |
0.81 |
C1(C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CCCCCC)CC3)CC2)=O
|
|
| MCULE-1753087854 |
0.81 |
C12C3C4CCCC4C1C(COC(C)=O)C1C4CCC5C(=O)C3C(C4=5)C21
|
|
| MCULE-4909263569 |
0.81 |
C[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](OC(=O)CCCCCCCCCC)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-4772039176 |
0.81 |
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCC1CCCC1
|
|
| MCULE-4529602980 |
0.81 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CC)CC3)CC2
|
|
| MCULE-8613188927 |
0.81 |
CCCCCCC(O[C@@H]1[C@@]2(C)CC[C@@H]3[C@]4(C)C(=CC(CC4)=O)CC[C@H]3[C@@H]2CC1)=O
|
|
| MCULE-8407720746 |
0.81 |
C1(C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CCCCCCCCCC)CC3)CC2)=O
|
|
| MCULE-5859688598 |
0.81 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O
|
|
| MCULE-5874149529 |
0.81 |
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCCCCC
|
|
| MCULE-5172373620 |
0.81 |
C1(C)(CC2CC1C=C2)C(OCCCCCl)=O
|
|
| MCULE-2971132760 |
0.81 |
C1(C)(CC2CC1C=C2)C(OCCCCBr)=O
|
|
| MCULE-2674516333 |
0.81 |
C1(CC2CC1C=C2)C(OCCCCBr)=O
|
|
| MCULE-8543972286 |
0.81 |
C12CC(C(C)C1C(OCCCCCl)=O)C=C2
|
|
| MolPort-035-706-303 |
0.81 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)C(C)C
|
|
| MolPort-044-755-261 |
0.81 |
C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3
|
|
| MolPort-035-706-399 |
0.81 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@H]23)C1(C)C
|
|
| MolPort-035-706-325 |
0.81 |
CC(C)[C@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]21C)OC(C)=O
|
|
| MolPort-002-514-171 |
0.81 |
COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC[C@]13C=C(C(C)C)C(CC21)[C@@H]1[C@H]3C(=O)CCC1=O
|
|
| MolPort-007-980-917 |
0.81 |
COC(=O)[C@]1(C)CCC[C@@]2(C)C1CCC13C=C(C(C)C)C(CC21)[C@@H]1[C@H]3C(=O)CCC1=O
|
|
| MolPort-003-850-422 |
0.81 |
CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-790-069 |
0.81 |
O=C1OC(=O)C2CC=CCC12
|
|
| MolPort-019-995-532 |
0.81 |
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-793-259 |
0.81 |
CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
|
|
| MolPort-019-992-388 |
0.81 |
CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-418-951 |
0.81 |
CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)C2=CC[C@@H]2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O)OC(=O)CCC(O)=O
|
|
| MolPort-000-726-176 |
0.81 |
CCCCCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-001-781-448 |
0.81 |
O=C1OC(=O)[C@@H]2CC=CC[C@H]12
|
|
| MolPort-042-652-640 |
0.81 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2OC(=O)CCC1CCCC1
|
|
| MolPort-006-111-246 |
0.81 |
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-003-959-637 |
0.81 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
|
|
| MolPort-003-959-707 |
0.81 |
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-507-402 |
0.81 |
CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-003-959-766 |
0.81 |
CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-035-706-384 |
0.80 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CCC2=C4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-035-706-459 |
0.80 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
|
|
| MolPort-007-980-885 |
0.80 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-035-706-398 |
0.80 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-020-005-732 |
0.80 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
|
|
| MolPort-001-788-276 |
0.80 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-006-130-881 |
0.80 |
CCCCCC\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-046-158-505 |
0.80 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2C4=CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-035-706-363 |
0.80 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-035-691-408 |
0.80 |
C[C@@]12C[C@@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)C6CC[C@@]5(C)[C@]4(C)CC[C@@]3(C)[C@@H](O)C1OC2=O
|
|
| MolPort-039-338-561 |
0.80 |
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 |
0.80 |
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 |
0.80 |
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
|
|
| MCULE-3486771028 |
0.80 |
C(CC(=O)OCC)CCCCCC=CCCCCCCCC
|
|
| MCULE-9535038485 |
0.80 |
C(CC(=O)OCC)CCCCC/C=C\CCCCCCCC
|
|
| MCULE-6934635209 |
0.80 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4([C@]5([H])CC(C)(C)CC[C@@]5(CC=C4[C@]3(C)CC[C@@]2([H])C([C@H]1OC(=O)C)(C)C)C)C
|
|
| MCULE-8392723345 |
0.80 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)OC
|
|
| MCULE-9199968322 |
0.80 |
C(CCC(=O)OCC)CCCCCCCCC=CCCCCCCCC
|
|
| MCULE-9367731136 |
0.80 |
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
|
|
| MCULE-7433867323 |
0.80 |
C1(=O)CC2(CC(=O)OC2CC1)C/C=C(\C)/CC/C=C(\C)/C
|
|
| MCULE-4960489764 |
0.80 |
C1[C@@H]([C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)CC1)OC([C@@H](C)CC)=O
|
|
| MCULE-3207105074 |
0.80 |
CC(=O)O[C@H](C(=O)C(C)C)C[C@@H](C)C1CC[C@@]2([C@@]3([C@]([C@H](CC=12)O)([H])[C@]1(C)[C@@](C(C(=O)CC1)(C)C)([H])CC3)C)C
|
|
| MCULE-7826570024 |
0.80 |
CC1([C@@H]2CC=C3[C@@]4(C)[C@]([C@@H]([C@H](C(=O)O)CCC(C(C)C)=C)CC4)(C)CC=C3[C@@]2(C)CC[C@@H]1OC(=O)C)C
|
|
| MCULE-6092837871 |
0.80 |
[C@@]12([H])OC(=O)[C@@H]([C@@]1([H])CC=C(CCO)[C@@H](C)C2)C
|
|
| MCULE-6799150619 |
0.80 |
C1(CC/C=C(/C)\C)CC(C)C(CC=1)COC(C)=O
|
|
| MolPort-046-689-506 |
0.80 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-044-755-229 |
0.80 |
CC(=O)O[C@H]1CCC2[C@H]3CC[C@]4(C)C(=O)CCC4=C3C[C@@H](O)[C@]2(C)C1
|
|
| MolPort-038-386-485 |
0.80 |
CC[C@H](C)C(=O)O[C@H]1CCCC2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-046-765-550 |
0.80 |
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@@H](CO)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-001-740-108 |
0.80 |
COC(=O)[C@@]12C(=O)C(C)C(=O)[C@]1(C)C(C)=C[C@@H]1[C@]2(C)CC[C@@H]2C(C)(C)[C@H](CC[C@@]12C=O)OC(C)=O
|
|
| MolPort-044-561-396 |
0.80 |
CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-046-793-306 |
0.80 |
CCCCCCCCCC(=O)OCCC(C)CC\C=C(/C)CCC=C(C)C
|
|
| MolPort-044-183-375 |
0.80 |
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])\C=C/CCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(O)=O
|
|
| MolPort-044-183-373 |
0.80 |
[2H]C([2H])(\C=C/CCCCCC)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC(CCCCCCCCCCCCC)CCCC(O)=O
|
|
| MolPort-039-338-144 |
0.80 |
C[C@@H]1[C@H]2CC=C(CCO)[C@@H](C)C[C@@H]2OC1=O
|
|
| MolPort-002-511-376 |
0.80 |
CC1CC(CCC=C(C)C)=CCC1COC(C)=O
|
|
| MolPort-044-183-364 |
0.80 |
CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-002-511-906 |
0.79 |
CC1[C@H]2[C@@H](CC(C=C(C)C)=C1C)C(=O)OC2=O
|
|
| MolPort-001-508-577 |
0.79 |
CC(C)=C1C2C=CC1C1C2C(=O)OC1=O
|
|
| MolPort-002-507-056 |
0.79 |
CC1C2C(CC(C=C(C)C)=C1C)C(=O)OC2=O
|
|
| MolPort-044-649-782 |
0.79 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(F)(F)F)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-035-946-559 |
0.79 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]21CCC(=O)O1
|
|
| MolPort-002-508-875 |
0.79 |
CCCCC(=O)OCC1(COC(=O)CCCC)C(C)CC(C)=CC1C
|
|
| MolPort-003-941-230 |
0.79 |
CC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)\C=C(/C)C[C@H](C)[C@@H]1OC(=O)[C@H]1C
|
|
| MolPort-001-963-974 |
0.79 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC21CCC(=O)O1
|
|
| MolPort-000-208-022 |
0.79 |
CC1(CCC(=O)O1)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-028-247-126 |
0.79 |
O=C(CCC1CCCO1)OCC1CCC=CC1
|
|
| MolPort-046-692-025 |
0.79 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2
|
|
| MolPort-002-911-091 |
0.79 |
CCC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CC(=O)C23)C1
|
|
| MolPort-039-339-228 |
0.79 |
C[C@@H](CC[C@@H](O)C(C)=C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)OC(C)=O
|
|
| MolPort-044-755-196 |
0.79 |
CC(C)(C)C(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-028-196-509 |
0.79 |
CC(C)CC(=O)OCC1CC=CCC1C
|
|
| MolPort-002-819-159 |
0.79 |
COC(=O)C1CCC2C3CCC4C(CCC4(OC(C)=O)C(=O)COC(C)=O)C3CC=C2C1
|
|
| MCULE-1835141621 |
0.79 |
C12C3C=CC(C3=C(C)C)C1C(OC2=O)=O
|
|
| MCULE-7442498630 |
0.79 |
C1(=O)C2C(C)C(C)=C(CC2C(=O)O1)/C=C(\C)/C
|
|
| MCULE-1138338360 |
0.79 |
CC12C3(OC(=O)CC3)CCC1C1CC=C3C(C)(C1CC2)CCC(O)C3
|
|
| MCULE-9075211166 |
0.79 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@]12CCC(=O)O1)[H]
|
|
| MCULE-9610038426 |
0.79 |
C1(COC(CCCC)=O)(COC(CCCC)=O)C(C)CC(=CC1C)C
|
|
| MCULE-5783941091 |
0.79 |
O=C(OCC1CC=CCC1)CCC1OCCC1
|
|
| MCULE-1491500449 |
0.79 |
O1C(CC2C1C1(C)C(C2)C2C(CC1)C1(C)CCC(O)CC1=CC2)=O
|
|
| MCULE-4559063392 |
0.79 |
C12C(=O)CC3(C)C(=CCC3C1CCC1CC(CCC21C)OC(=O)CC)C(=O)C
|
|
| MCULE-2386800783 |
0.79 |
O(C1CC2CC1C1C2C2CC1C=C2)C(C)=O
|
|
| MCULE-4453162060 |
0.79 |
CC(CC(OCC1C(C)CC=CC1)=O)C
|
|
| MCULE-3543018898 |
0.79 |
CC1([C@@H]2CC=C3[C@]4(C)[C@@]([C@H]([C@H](CC[C@H](C(=C)C)O)C)CC4)(C)CC[C@@H]3[C@@]2(C)CC[C@@H]1OC(=O)C)C
|
|
| MCULE-6875559589 |
0.79 |
C1(OC(C)=O)(CCC2C3C(C4CCC(CC4=CC3)C(OC)=O)CCC12)C(=O)COC(C)=O
|
|
| MCULE-7081720222 |
0.79 |
COC([C@H]1C2C=CC(CC2)[C@H]1C(O)=O)=O
|
|
| MCULE-5578038643 |
0.79 |
O(C1CCC2C1(C)CCC1C2CC=C2CCCCC21C)C(C)=O
|
|
| MCULE-4103920893 |
0.79 |
C12C3C(C4(C)C(CC3)CC(OC(C)=O)CC4)CCC=1C(CC2)(C)C
|
|
| MCULE-9600703174 |
0.79 |
C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCCOC(C)=O)CCC4C3CCC2(C1)[H]
|
|
| MCULE-4145707178 |
0.79 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)([H])OC(C)=O
|
|
| MCULE-1065163743 |
0.79 |
[C@]12([H])[C@@H](O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)COC(=O)C
|
|
| MCULE-8464956672 |
0.79 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OCC)=O
|
|
| MCULE-2488392484 |
0.79 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC(C)=C2C(C)=O)[H]
|
|
| MCULE-1537420527 |
0.79 |
[C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O
|
|
| MolPort-044-600-547 |
0.79 |
COC(=O)[C@H]1C2CCC(C=C2)[C@H]1C(O)=O
|
|
| MolPort-035-784-535 |
0.79 |
CCOC(=O)[C@@H]1[C@H]2CC\C=C/CC[C@@H]12
|
|
| MolPort-044-755-193 |
0.79 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CCCC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-591-674 |
0.79 |
CCOC(=O)C1C2CC\C=C/CCC12
|
|
| MolPort-046-590-621 |
0.79 |
CCOC(=O)[C@H]1[C@H]2CC\C=C/CC[C@@H]12
|
|
| MolPort-046-761-006 |
0.79 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
|
|
| MolPort-006-069-223 |
0.79 |
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-035-881-917 |
0.79 |
CCC\C=C\CC1CC(=O)OC1=O
|
|
| MolPort-046-596-271 |
0.79 |
CC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC(C)=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-002-506-965 |
0.79 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-001-840-675 |
0.79 |
CC(=O)OC1CCC2(C)[C@@H](CCC3C4CC=C(C(C)=O)C4(C)CCC23)C1
|
|
| MolPort-002-530-021 |
0.79 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-044-649-594 |
0.79 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-002-510-459 |
0.79 |
CCOC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-509-430 |
0.79 |
CCOC(=O)CC[C@H](C)[C@@H]1CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-520-650 |
0.79 |
CC(=O)OC1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-039-052-375 |
0.78 |
C[C@H](C[C@H](O)[C@@H](OC(C)=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-044-649-737 |
0.78 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-039-338-521 |
0.78 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-023-278-910 |
0.78 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-001-845-394 |
0.78 |
COC(=O)[C@@H]1CC2=CC(=O)CCC2(C)C2[C@H](O)CC3(C)C(CC[C@@]33CCC(=O)O3)C12
|
|
| MolPort-002-145-630 |
0.78 |
COC(=O)C1CC2=CC(=O)CCC2(C)C2C(O)CC3(C)C(CCC33CCC(=O)O3)C12
|
|
| MCULE-9033649357 |
0.78 |
CCOC([C@@]1(CCC[C@@]2(C)[C@]1(CC=C1[C@@]2(CCC(C(C)C)=C1)[H])[H])C)=O
|
|
| MCULE-5873294860 |
0.78 |
CC(C1CCC2(C)C=1CC(O)C1C2(C)CCC2C1(C)CCC(C2(C)C)=O)CC(O)C(OC(C)=O)C(O)(C)C
|
|
| MCULE-2276317128 |
0.78 |
C12C3C(C)(CCC(C)(C(OCC=C)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-9978018071 |
0.78 |
CC1([C@@]2([H])[C@]([C@]3([C@@](CC2)(C)[C@@]2(C(=C(CC2)[C@@H](C[C@@H]([C@H](C(C)(O)C)OC(=O)C)O)C)C[C@@H]3O)C)[H])(C)CCC1=O)C
|
|
| MCULE-7286590115 |
0.78 |
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](C(O)(C)C)OC(=O)C)CC[C@]21C)O)(C)C
|
|
| MCULE-1153848413 |
0.78 |
C12(C)C(=O)C(=C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-5177446419 |
0.78 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1=C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(O)C21)[H]
|
|
| MCULE-2652266780 |
0.78 |
C(C=CCCCCCCCC(=O)OCCCC)[C@H](O)CCCCCC
|
|
| MCULE-8024539765 |
0.78 |
O=C(OC)[C@H]1[C@]2([H])[C@@]([C@@H](C[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)O)([H])[C@]2(C)C(=CC(=O)CC2)C1
|
|
| MCULE-3574561675 |
0.78 |
C1[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@]5(CCC(=O)O5)CC[C@@]4([H])[C@]3([H])[C@H](C(OC)=O)CC2=CC(=O)C1
|
|
| MCULE-6004210718 |
0.78 |
C12(C)CC(O)C3C(C(C(OC)=O)CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1
|
|
| MCULE-9512042267 |
0.78 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(=O)COC(C)=O
|
|
| MCULE-7379708485 |
0.78 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(O)=O
|
|
| MCULE-4605464077 |
0.78 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC(C)=O
|
|
| MCULE-3880817234 |
0.78 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCC(CC)=O)CCC4C3CC=C2C1
|
|
| MCULE-1074800625 |
0.78 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1C[C@@H](CC)[C@@H]2C(CC)=O
|
|
| MCULE-7903674091 |
0.78 |
CC(COC1C(C)(C)C(OC(C2CC=CCC2)=O)C1)C
|
|
| MCULE-9728792876 |
0.78 |
C12(C)C(=O)C(C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-8712822346 |
0.78 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(C)=O)[H]
|
|
| MCULE-6118345848 |
0.78 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C(CCC(C)C)=O)CCC4C3CC=C2C1
|
|
| MCULE-8183627372 |
0.78 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1CCCCC21C(C)=O
|
|
| MCULE-7993538244 |
0.78 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
|
|
| MCULE-1739744430 |
0.78 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]12CCC(=O)O1)[H]
|
|
| MCULE-9491535728 |
0.78 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCC(O)=O
|
|
| MCULE-2803933654 |
0.78 |
C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-9035451811 |
0.78 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC12CCC(=O)O1)[H]
|
|
| MCULE-4910370058 |
0.78 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)=O
|
|
| MCULE-4068140047 |
0.78 |
C(C)(=O)OC1CC2C(C)(C3CCC4(C)C(C(C)C(O)=O)CCC4C3CC=2)CC1
|
|
| MCULE-9028214804 |
0.78 |
[C@@H]1(OC(C)=O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC=2
|
|
| MCULE-9076166215 |
0.78 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(O)=O)[H]
|
|
| MCULE-3093682807 |
0.78 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-4121090747 |
0.78 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(CC)C2C(C)=O
|
|
| MCULE-5701442831 |
0.78 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(C)=O
|
|
| MCULE-9533823250 |
0.78 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-7088876584 |
0.78 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-9337389884 |
0.78 |
C(C)(=O)OC1CC2(CC=C3C(=CCC4(C)C(C(C)CCC(OC)=O)CCC43)C2(C)CC1)[H]
|
|
| MCULE-9886067523 |
0.78 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H](CC)[C@@H]2C(C)=O)[H]
|
|
| MCULE-2274449987 |
0.78 |
C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-7914276135 |
0.78 |
C1=CC2([H])CC3([H])OC(=O)C4([H])C3([H])C2([H])C1([H])C4C(O)=O
|
|
| MCULE-8218822760 |
0.78 |
C12CC(C3CC=CC13)CC2OC(C)=O
|
|
| MCULE-5173677772 |
0.78 |
[C@@H]12C[C@@H](CC1OC(CC)=O)[C@]1([H])C=CC[C@]21[H]
|
|
| MCULE-2306367523 |
0.78 |
C12CC(CC1OC(CC)=O)C1C=CCC21
|
|
| MCULE-9005119173 |
0.78 |
C1CC23C([H])(COC(=O)C)C2(CC=CC3)CC1
|
|
| MCULE-3968820569 |
0.78 |
C1=CC2CC3OC(=O)C4C3C2C1C4C(OC)=O
|
|
| MCULE-7646524137 |
0.78 |
O(C1C2C3C4C5C6C7C(C5C(=O)C41)C=CC7C(C36)C2=O)C(C)=O
|
|
| MolPort-046-596-311 |
0.78 |
CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-000-700-004 |
0.78 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-002-515-746 |
0.78 |
CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(=O)CC)OC(C)=O
|
|
| MolPort-002-529-651 |
0.78 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(O)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-506-933 |
0.78 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-524-141 |
0.78 |
C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-730-176 |
0.78 |
CC(CCCC(C)=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-506-956 |
0.78 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
|
|
| MolPort-001-785-924 |
0.78 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(O)=O)C3CC=C2C1
|
|
| MolPort-046-765-468 |
0.78 |
C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC(=O)[C@@]3(C)OC(C)=O)[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-002-510-678 |
0.78 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-023-221-501 |
0.78 |
CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-524-244 |
0.78 |
CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCC[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-507-126 |
0.78 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-044-755-262 |
0.78 |
COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-000-691-653 |
0.78 |
CC(=O)OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-027-708-013 |
0.78 |
CC(C)COC1CC(OC(=O)C2CCC=CC2)C1(C)C
|
|
| MolPort-002-510-452 |
0.78 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-002-526-754 |
0.78 |
CC(=O)OCC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-798-252 |
0.78 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-002-810-910 |
0.78 |
CCC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1C(C)=O)OC(C)=O
|
|
| MolPort-002-810-909 |
0.78 |
CC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1(C)C(C)=O)OC(C)=O
|
|
| MolPort-002-810-764 |
0.78 |
CC(=O)OCC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-000-691-651 |
0.78 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-002-527-697 |
0.78 |
C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-000-835-607 |
0.78 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C(O)=O)C3CC=C2C1
|
|
| MolPort-000-738-028 |
0.78 |
C[C@@H]1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-002-528-770 |
0.78 |
CC[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
|
|
| MolPort-046-763-326 |
0.78 |
CCOC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-158-100 |
0.78 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CCCCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-046-596-384 |
0.78 |
CC(CCC(O)=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-000-838-146 |
0.78 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-042-646-618 |
0.78 |
CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
|
|
| MolPort-000-744-261 |
0.78 |
CC(CCC(O)=O)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-001-535-946 |
0.78 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(C)=O)C3CC=C2C1
|
|
| MolPort-046-597-310 |
0.78 |
CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O)OC(C)=O
|
|
| MolPort-042-646-617 |
0.78 |
C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-002-507-454 |
0.78 |
C[C@@H]1CC2[C@@H]3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-002-686-234 |
0.78 |
C[C@@H]1CC2C3CC=C4CCCC(OC(C)=O)C4(C)C3CCC2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-046-762-520 |
0.78 |
CC(=O)O[C@]1(CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-002-525-874 |
0.78 |
C[C@]12CCC3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-002-529-126 |
0.78 |
CCC(=O)OC1C[C@@H]2C[C@H]1C1CC=CC21
|
|
| MolPort-002-507-829 |
0.78 |
CCC(=O)OC1C[C@@H]2C[C@H]1[C@H]1CC=C[C@@H]21
|
|
| MolPort-006-122-262 |
0.78 |
CCC(=O)OC1CC2CC1C1CC=CC21
|
|
| MolPort-002-886-211 |
0.78 |
CC(=O)OC1CC2CC1C1C=CCC21
|
|
| MolPort-003-987-059 |
0.78 |
CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
|
|
| MolPort-044-755-257 |
0.78 |
CC(=O)O[C@H]1CCC2[C@H]3CCC4=C(CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]2(C)C1)C(C)=O
|
|
| MolPort-044-649-744 |
0.77 |
CCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@]4(C)[C@@H](CC[C@@]3(C)[C@]1(C)CC2)[C@](C)(CO)C=C4C=O
|
|
| MolPort-035-706-205 |
0.77 |
CC(C)[C@H]1[C@H]2C=C(C)[C@H](C[C@H]2[C@H](C)CC1=O)OC(C)=O
|
|
| MolPort-046-765-479 |
0.77 |
C[C@]12CC=C3[C@H]([C@@H]1CC[C@@]21CCC(=O)O1)C(CC1=CC(=O)CC[C@]31C)C(O)=O
|
|
| MolPort-020-393-553 |
0.77 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-002-145-709 |
0.77 |
COC(=O)C1CC2=CC(=O)CCC2(C)C2=CCC3(C)C(CCC33CCC(=O)O3)C12
|
|
| MolPort-001-994-226 |
0.77 |
COC(=O)C1CC(C)=CC(C)C1C(O)=O
|
|
| MolPort-000-824-500 |
0.77 |
CCCCCCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-046-596-485 |
0.77 |
CC(C)CCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-046-596-558 |
0.77 |
CCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-002-514-937 |
0.77 |
CCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-002-525-983 |
0.77 |
CC(C)CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-001-781-534 |
0.77 |
CCOC(=O)[C@H]1CC=CC[C@H]1C(=O)OCC
|
|
| MolPort-002-529-465 |
0.77 |
CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-002-530-517 |
0.77 |
CCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-023-223-808 |
0.77 |
CCOC(=O)[C@@H]1CC=CC[C@H]1C(=O)OCC
|
|
| MolPort-044-649-589 |
0.77 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(F)=O
|
|
| MolPort-044-649-701 |
0.77 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(F)=O)C1(C)C
|
|
| MCULE-9966949324 |
0.77 |
[C@H]1(OC(=O)C)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MCULE-7813982811 |
0.77 |
C1(CC2CC1C=C2)C(OCCOC(C1CCC=CC1)=O)=O
|
|
| MCULE-8822838184 |
0.77 |
C1C[C@]2(C)C3[C@@H](OC(=O)C)C[C@]4(C)[C@@H](C(=O)COC(=O)C)CCC4C3CCC2=CC1=O
|
|
| MCULE-2496032129 |
0.77 |
OC(C1(CC=CC1)CC1CCOCC1)=O
|
|
| MCULE-1104455109 |
0.77 |
C1(C)(C(C)CCC2(C)C(=CCCC21)C)CC1CC(CCC1OC(C)=O)OC(C)=O
|
|
| MCULE-4098552700 |
0.77 |
C1[C@@]2(C)C(C[C@@H](C(OC)=O)[C@]3([H])C2=CC[C@@]2(C)[C@@]3([H])CC[C@]32CCC(=O)O3)=CC(=O)C1
|
|
| MCULE-2555920424 |
0.77 |
O=C(OC)[C@H]1[C@]2([H])C(=CC[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)[C@]2(C)C(=CC(=O)CC2)C1
|
|
| MCULE-3334544373 |
0.77 |
C12=CCC3(C(CCC43CCC(=O)O4)C1C(CC1=CC(=O)CCC21C)C(OC)=O)C
|
|
| MCULE-7666040130 |
0.77 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCCCCCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-5621761126 |
0.77 |
[C@H]1(CC=CC[C@H]1C(OCC)=O)C(OCC)=O
|
|
| MCULE-6914138383 |
0.77 |
[C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])C[C@@H](CC[C@]34C)OC(CCC(C)C)=O)C1CC=C2C(C)=O
|
|
| MCULE-5701533038 |
0.77 |
C1(CC(C)=CC(C)C1C(O)=O)C(OC)=O
|
|
| MCULE-1705600426 |
0.77 |
C12C(CCC(=O)C=1)CC(C(OC)=O)C2
|
|
| MCULE-7226046270 |
0.77 |
C12C(CCC(O)C=1)CC(C(OC)=O)C2
|
|
| MCULE-9509535864 |
0.77 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-1836906318 |
0.77 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-9207728452 |
0.77 |
CC1(C2CCC3(C4(C)C(C5C(CC4)(C)CCC(C(=O)O)(C)C5)=CC(=O)C3C2(C)CCC1OC(CCC(=O)O)=O)C)C
|
|
| MCULE-2234048518 |
0.77 |
CC1([C@H](CC[C@@]2([C@]3(C(=O)C=C4[C@@](C)(CC[C@]5(C)[C@@]4([H])C[C@@](C)(C(=O)[O-])CC5)[C@]3(C)CC[C@@]12[H])[H])C)OC(=O)CCC(=O)[O-])C
|
|
| MCULE-8234847813 |
0.77 |
[C@]12([H])C(=O)C=C3[C@]4([H])C[C@@](CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)OC(=O)CCC([O-])=O)C)(C)C([O-])=O
|
|
| MCULE-3358579622 |
0.77 |
O=C(OCC1CCCO1)C1CC2CC1C=C2
|
|
| MCULE-8015641642 |
0.77 |
C1CC2(C)C3CCC4C5C(C(C)=C)CCC5(C(=O)O)CCC4(COC(=O)C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-8789756191 |
0.77 |
C12(C)C(=CCC)CCC1C1C(CC2)C2(C)CCC(CC2CC1)OC(C)=O
|
|
| MCULE-6886775784 |
0.77 |
[C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1[C@@]2(C)CCC2[C@]1(C)CCC(OC(C)=O)C2(C)C)C(OC)=O
|
|
| MCULE-4176831119 |
0.77 |
C12(C)CCC(C(OC=O)C1(C)CCC=C2C)C
|
|
| MCULE-2726581544 |
0.77 |
C(OCC1CC=CCC1C)(C)=O
|
|
| MCULE-6773378809 |
0.77 |
C1=CC2CC1C1=C2C2CC1C1C(=O)OC(=O)C12
|
|
| MCULE-1733908720 |
0.77 |
CCCCCCCCCCCCOC(CCCCCCCC=CCC=CCCCCC)=O
|
|
| MCULE-4633610104 |
0.77 |
C(=O)(OC)C(C)(C)C1CC[C@@]2(C)[C@]3(C)CC[C@@]4(C(=O)O)CC[C@@H](C)[C@](O)(C)[C@@]4([H])C3=CCC2[C@@]1(C)CC(=O)O
|
|
| MCULE-4683482437 |
0.77 |
C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)C)(C(=O)C)CCC4C3CCC2=C1
|
|
| MCULE-5475024726 |
0.77 |
[C@@H]1(OC(=O)CCCCCCCCCCCCCCCCCCCCC)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCCC(C)C)CC3)CC=2
|
|
| MCULE-5476020058 |
0.77 |
C12(CCC3(C4(CCC(OC(CCCCCCCCCCC)=O)CC4=CCC3(C1(CCC2C(C)CCCC(C)C)[H])[H])C)[H])C
|
|
| MCULE-9767686096 |
0.77 |
C[C@]12CC[C@H](OC(=O)CCCCCCCCCCCCC)CC1=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-4487426289 |
0.77 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)OC(=O)CCCCCCCCCCCCCCC)=CC3)[H])([H])CC1)C)C
|
|
| MCULE-3429789050 |
0.77 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(C)=O)[H]
|
|
| MCULE-6654749941 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCC)=O
|
|
| MCULE-7277178316 |
0.77 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-8977795489 |
0.77 |
CCCCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-4593875674 |
0.77 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-1588785943 |
0.77 |
CCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-8572432727 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(C1CCCC1)=O
|
|
| MCULE-1587965499 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-6594306024 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC3CCCCC3)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1361205448 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCC1CCCCC1)=O
|
|
| MCULE-2808257085 |
0.77 |
C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CC=C2C1)C(OCC)=O
|
|
| MCULE-2887956476 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2(O)C(C)=O
|
|
| MCULE-3569475442 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1675088199 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8461996452 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3568637165 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3557825189 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C3CCCC3)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8794665540 |
0.77 |
[C@]12(C)CCC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@](CC3)(C(C)=O)OC(C)=O)CC[C@@]12[H])[H])C)=O
|
|
| MCULE-1849472820 |
0.77 |
C12(C)CCC(C=C1C(CC1C3C(C)(C(CC3)(C(C)=O)OC(C)=O)CCC12)C)=O
|
|
| MCULE-2831209997 |
0.77 |
[C@]12([H])CC[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CC=C1C[C@@H](OC(=O)CCCCCC)CC[C@]21C)=O
|
|
| MCULE-4894890520 |
0.77 |
C12(C)CCC3(C4(C)CCC(OC(CCCCCCCCCCCC=CCCCCCCCC)=O)CC4=CCC3([H])C1(CCC2C(C)CCCC(C)C)[H])[H]
|
|
| MCULE-9783163200 |
0.77 |
[Na+].C1CC2(C)C3CCC4(C)C(C([O-])=O)CCC4C3CC=C2CC1OC(=O)C
|
|
| MCULE-7520151391 |
0.77 |
C1CC2(C)C3CCC4(C)C(C(OC5CCCCC5)=O)CCC4C3CC=C2CC1OC(=O)C
|
|
| MCULE-5520472136 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)C2(O)C(C)=O
|
|
| MCULE-7551134886 |
0.77 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCCCCC)=O
|
|
| MCULE-1992456011 |
0.77 |
[C@]12(C)CCC(C=C1[C@H](C[C@@]1([H])C3[C@@](C)([C@](CC3)(C(C)=O)OC(C)=O)CCC12)C)=O
|
|
| MCULE-3263354032 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9987906336 |
0.77 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)OC(=O)CCCCCCCCCCCCCCC)=CC3)[H])([H])CC1)C)C
|
|
| MCULE-8816644358 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-9599193894 |
0.77 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)COC(C)=O)CC3)CC2
|
|
| MCULE-7699673107 |
0.77 |
C1(OC(=O)CCCCCCCCCCCCCCCCC)CCC2(C)C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC=C2C1
|
|
| MCULE-9543309945 |
0.77 |
C12(C)CCC3C4(C)CCC(OC(=O)C)CC4=CCC3C1CCC2C(=O)OC1CC2CCC1C2
|
|
| MCULE-1286036245 |
0.77 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCC)CC1=CC2)[H]
|
|
| MCULE-1091492885 |
0.77 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-8608886418 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCC)=O
|
|
| MCULE-9783531925 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCC)=O
|
|
| MCULE-6581533408 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCC)=O
|
|
| MCULE-1955355747 |
0.77 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-1526124264 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CC1CCCCC1)=O
|
|
| MCULE-7000169771 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCC)=O
|
|
| MCULE-8057071681 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCC)=O
|
|
| MCULE-2983937435 |
0.77 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1C[C@H](O)[C@]2([H])C(C)=O)[H]
|
|
| MCULE-8252955604 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-4016604549 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(CCCCCC)=O
|
|
| MCULE-9956647861 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(C1CCCC1)=O
|
|
| MCULE-2895344878 |
0.77 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C=C2C1)=O
|
|
| MCULE-6943417160 |
0.77 |
C12(CC3CC(CC(C3)C1)C2)C(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C
|
|
| MCULE-6785867509 |
0.77 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCCC)CC1=CC2)[H]
|
|
| MCULE-4139907319 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCC)=O
|
|
| MCULE-2730494737 |
0.77 |
C12(CCC3(C4(CCC(CC4=CCC3(C1(CCC2([H])C(C)CCCC(C)C)[H])[H])OC(=O)CCCCCCCCCCCCCCC)C)[H])C
|
|
| MCULE-4311810496 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCC)=O
|
|
| MCULE-7560687727 |
0.77 |
[C@@]12([H])CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-6883610361 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCCCC)=O
|
|
| MCULE-7271710617 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCC)=O
|
|
| MCULE-3268211483 |
0.77 |
CC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)[C@@H](C)C3)[H])([H])CC1)OC(=O)C
|
|
| MCULE-7572819806 |
0.77 |
CCCCCCCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-6929994718 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-7313126879 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC1CCCCC1)=O
|
|
| MCULE-7973895970 |
0.77 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1OC(=O)CCCCCCCCCCCCCCC
|
|
| MCULE-5265419450 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-9770266464 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCC=CCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-5268900721 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCC)=O
|
|
| MCULE-1257490890 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCC)=O
|
|
| MCULE-1900297968 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-5451000624 |
0.77 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCC)=O
|
|
| MCULE-8036810785 |
0.77 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(C)=O)[H]
|
|
| MCULE-1928835025 |
0.77 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1292912968 |
0.77 |
[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-3582226231 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCC1CCCCC1)=O
|
|
| MCULE-7300055150 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCCCC)=O
|
|
| MCULE-3632686303 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-9107883806 |
0.77 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(=O)COC(C)=O)[H]
|
|
| MCULE-3951215552 |
0.77 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-4759733755 |
0.77 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](CC[C@]34C)OC(C)=O)C1C[C@@H](C)[C@]2(O)C(C)=O
|
|
| MCULE-3362097880 |
0.77 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCCCCC)=O
|
|
| MCULE-4138416849 |
0.77 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21)=O
|
|
| MolPort-002-508-476 |
0.77 |
CC1CCC2(C)C(C)=CCCC2(C)C1OC=O
|
|
| MolPort-038-386-613 |
0.77 |
CC(=C)C1CCC2(CCC3(COC(C)=O)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12)C(O)=O
|
|
| MolPort-002-801-253 |
0.77 |
COC(=O)C12CC[C@H](C1C1CCC3[C@@]4(C)CCC(OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
|
|
| MolPort-007-980-881 |
0.77 |
CC(=C)[C@@H]1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
|
|
| MolPort-001-757-202 |
0.77 |
COC(=O)C1CCC=CC1
|
|
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C12CC3CC(CC(C3)C1)C2
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C[C@@H]1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O)OC(C)=O
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C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O)OC(C)=O
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CC(CCOC(C)=O)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C
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CCC\C=C/CCCCCCCOC(C)=O
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OC(=O)C1CC2CCC1C=C2
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CC\C=C\CCCCCCCCOC(C)=O
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CC(=O)OC1(C)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@@H]3CC[C@]12C
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| MCULE-3959902732 |
0.76 |
OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-3596150007 |
0.76 |
C(CCCCOC(=O)C)CCCCCC=CCCCC
|
|
| MCULE-9123998949 |
0.76 |
C1CC(CC(OC)=O)(C)C(CC(OC)=O)(C)CC=1
|
|
| MCULE-7933091917 |
0.76 |
C(C)(OCCCCCCCCC=CCCCCCCCC)=O
|
|
| MCULE-4045769000 |
0.76 |
C(CCCOC(=O)C)CCC=CCCCC
|
|
| MCULE-1256663608 |
0.76 |
C1(=O)CC2(C)C(CCC(C)CCOC(=O)C)C(=C)CCC2C(C)(C)C1
|
|
| MCULE-6334133550 |
0.76 |
C1CC([H])(CC(OC)=O)C([H])(CC(OC)=O)CC=1
|
|
| MCULE-9935430898 |
0.76 |
C(C(CCCCCC)CC=CCCCCCCCC(OC)=O)(C)=O
|
|
| MCULE-5624348400 |
0.76 |
C1(C(=O)O)CC2C=CC1CC2
|
|
| MCULE-6236769106 |
0.76 |
C/C(/C)=C/C1C(C)(C)C1C(OCCCCCO)=O
|
|
| MCULE-7665525246 |
0.76 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(O)C21)[H]
|
|
| MCULE-5753734207 |
0.76 |
C1CC2C(CCC3OC(=O)CC(O)C3)C(C)C=CC2CC1
|
|
| MCULE-2969710957 |
0.76 |
C1CC2(C)C3CC=C4C5CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1OC(=O)C
|
|
| MCULE-5482566460 |
0.76 |
C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1OC(=O)C
|
|
| MCULE-2507451013 |
0.76 |
[C@@]12(C)CC[C@@]3([H])[C@@](C)(C(=O)O)[C@@H](CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(CC[C@@]3(CC[C@@]21C)C)(C)C)OC(=O)C
|
|
| MCULE-9149239842 |
0.76 |
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]1OC(=O)C
|
|
| MCULE-7818588594 |
0.76 |
CCCCCC[C@@](O)(CC=CCCCCCCCC(OCC)=O)[H]
|
|
| MCULE-9358355806 |
0.76 |
C1=CCC23CCCCC2(C3(C(OC)=O)[H])C1
|
|
| MCULE-9340600776 |
0.76 |
C1C(C(CCC=1C)CC(=O)OCC)=O
|
|
| MCULE-3280168913 |
0.76 |
C1C(C(CCC=1C)CC(OCC)=O)O
|
|
| MCULE-3172312748 |
0.76 |
C1C2(CCC2(CC=C1)C(OC)=O)C(OC)=O
|
|
| MCULE-1853994027 |
0.76 |
CC1(C(C2C=CCCC2)(C=O)CCO1)C
|
|
| MCULE-7135107425 |
0.76 |
[Na+].[Na+].[C@]12([H])C(=O)C=C3[C@]4([H])C[C@@](CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)OC(=O)CCC([O-])=O)C)(C)C([O-])=O
|
|
| MCULE-2804316805 |
0.76 |
O1C(CC2C1CC=CC2)=O
|
|
| MCULE-8726234628 |
0.76 |
C12C3C(C)(CCC(C)(C(OCC#C)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-1665605717 |
0.76 |
[Na+].[Na+].CC1([C@H](CC[C@@]2([C@]3(C(=O)C=C4[C@@](C)(CC[C@]5(C)[C@@]4([H])C[C@@](C)(C(=O)[O-])CC5)[C@]3(C)CC[C@@]12[H])[H])C)OC(=O)CCC(=O)[O-])C
|
|
| MCULE-1889700737 |
0.76 |
[Na+].CC12CCC3([H])C(C(OC(=O)CCC([O-])=O)CCC3(C)C1([H])C(C=C1C3([H])CC(C)(C(O)=O)CCC3(C)CCC21C)=O)(C)C
|
|
| MolPort-003-959-446 |
0.76 |
CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-002-523-178 |
0.76 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@@H]2C4[C@@H](CCC=C4CC[C@@]32C)C(C)=C)C1(C)C
|
|
| MolPort-006-106-573 |
0.76 |
[Na+].[Na+].CC1(C)[C@H](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)OC(=O)CCC([O-])=O
|
|
| MolPort-005-933-646 |
0.76 |
[Na+].[Na+].CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C([O-])=O)OC(=O)CCC([O-])=O
|
|
| MolPort-046-761-598 |
0.76 |
[Na+].[Na+].CC1(C)[C@H](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)OC(=O)CCC([O-])=O
|
|
| MolPort-002-522-118 |
0.76 |
COC(=O)[C@@]1(C)CC(=O)[C@]2(C)CC[C@]3(C)C(C=CC4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)=C2C1
|
|
| MolPort-000-736-610 |
0.75 |
CCOC(=O)C1C(C=C(C)C)C1(C)C
|
|
| MolPort-002-855-142 |
0.75 |
COC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)OC
|
|
| MolPort-044-649-852 |
0.75 |
CCOC(=O)C1(CC=C(C)C)CCCC1=O
|
|
| MolPort-006-130-828 |
0.75 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-002-855-106 |
0.75 |
COC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)OC
|
|
| MolPort-046-761-515 |
0.75 |
C[C@@H]1C[C@@]2(CCC(=O)O2)[C@@]2(C)CC[C@H]3C([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@H]12
|
|
| MolPort-003-847-034 |
0.75 |
C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
|
|
| MolPort-046-701-787 |
0.75 |
C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@]21CCC(=O)O1
|
|
| MolPort-002-911-147 |
0.75 |
CC(=O)O[C@@]1(C)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
|
|
| MolPort-001-740-745 |
0.75 |
CC1CC2OC(=O)C(=C)C2CC=C1CCC(C)=O
|
|
| MolPort-046-689-666 |
0.75 |
C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
|
|
| MolPort-046-765-549 |
0.75 |
[2H]C1([2H])C(=O)O[C@]2([C@H]3C[C@H]3[C@H]3[C@@H]4[C@H]5C[C@H]5C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C1([2H])[2H]
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|
| MolPort-002-893-940 |
0.75 |
CC(CCC(=O)OC1CC2CC1C=CC2)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-002-529-366 |
0.75 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC(C)CC
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|
| MolPort-035-706-407 |
0.75 |
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
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|
| MolPort-002-526-756 |
0.75 |
CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@@H]2C4[C@@H](CC[C@@]4(CC[C@@]32C)C=O)C(C)=C)C1(C)C
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| MolPort-002-511-669 |
0.75 |
CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(=O)CCC(O)=O
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|
| MolPort-007-980-880 |
0.75 |
CC(=O)OCC12CC[C@H](C1C1CCC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
|
|
| MolPort-002-510-721 |
0.75 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCC
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|
| MolPort-002-501-678 |
0.75 |
CCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-016-580-595 |
0.75 |
C\C=C\CC1CC(=O)OC1=O
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|
| MolPort-021-804-634 |
0.75 |
COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)C(C)=CC1C3(C)CCC(OC(C)=O)C(C)(C)C3CCC21C
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|
| MolPort-028-951-340 |
0.75 |
CCOC(=O)C(C1CCCC=C1)C(=O)OCC
|
|
| MolPort-002-524-287 |
0.75 |
CC(=O)OC[C@]12CC[C@H](C1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
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|
| MolPort-044-811-198 |
0.75 |
CCCC(=O)OC[C@]1(C)C=C(C=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@@]3(CC[C@@]12C)C(=O)OC
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|
| MolPort-001-739-561 |
0.75 |
COC(=O)C12C(=O)C(C)(O)C(=O)C1(C)C(C)=CC1C2(C)CCC2C(C)(C)C(CCC12C=O)OC(C)=O
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|
| MolPort-046-688-689 |
0.75 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-588-137 |
0.75 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCCC
|
|
| MolPort-003-855-522 |
0.75 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC(C)CC
|
|
| MolPort-003-855-529 |
0.75 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCC
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|
| MolPort-042-644-764 |
0.75 |
CC(=O)OCC12CCC(C1C1CCC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
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|
| MolPort-044-755-199 |
0.75 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MCULE-1684690626 |
0.75 |
C1(C)(C)C(C1/C=C(/C)\C)C(OCC)=O
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|
| MCULE-2260551226 |
0.75 |
C1(C(OC)=O)CC(C)=C(CC1C(OC)=O)C
|
|
| MCULE-7768798034 |
0.75 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CCC1=C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21
|
|
| MCULE-3445538277 |
0.75 |
C1(CCCC1=O)(C/C=C(\C)/C)C(OCC)=O
|
|
| MCULE-4899690160 |
0.75 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H]4C[C@@H]4[C@@]3([H])[C@]1([H])[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C
|
|
| MCULE-3583239018 |
0.75 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(=C)C2=C1)OC(C)=O
|
|
| MCULE-9210235948 |
0.75 |
C12CC=C3CC(CCC3(C)C1CCC1(C)C(CCC21)C(C)CCC(=O)OC1CC2CC1C=CC2)O
|
|
| MCULE-7236722260 |
0.75 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@@](CCC21)(C)OC(=O)C)=O
|
|
| MCULE-7602245034 |
0.75 |
C12C3C4C5C6C3(C(OC)=O)C3(C(=O)OC(CC1)C2C34)C5C1CC=CC61
|
|
| MCULE-1085736388 |
0.75 |
C(OCC12C3CCC4(C)C(CCC4C3CC(C1(CC=CC2=O)[H])OC(C)=O)=O)(C)=O
|
|
| MCULE-5598436575 |
0.75 |
C(C)(=O)OC1CC2(CC=C3C(=CC(C4(C)C(C(C)CCC(OC)=O)CCC43)=O)C2(C)CC1)[H]
|
|
| MCULE-9975535341 |
0.75 |
C1(=O)OC2C(CC=C(CCC(=O)C)C(C2)C)C1=C
|
|
| MCULE-5446385915 |
0.75 |
C(C)(=O)OC1CC2C(C=C3C4CC=C(C4(C)CC(C3C2(C)CC1)=O)C(C)=O)=O
|
|
| MCULE-2994624081 |
0.75 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(CCC(O)=O)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
|
|
| MCULE-5145383615 |
0.75 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCC)=O
|
|
| MCULE-3995180038 |
0.75 |
O=C(C12C(C(=CC3C1(C)CCC1C(C)(C)C(OC(=O)C)CCC13C=O)C)(C)C(=O)C(O)(C)C2=O)OC
|
|
| MCULE-2565904577 |
0.75 |
C(CCCC)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-3046367928 |
0.75 |
C1=CC2C3C4C5C(C(OC)=O)(C2(C(OC)=O)C4C=C5)C13
|
|
| MCULE-2780089397 |
0.75 |
C1(C)(/C=C/C(CCC(O)=O)(O)C)C2CCC(=O)OC(C)(C)C2CC1
|
|
| MCULE-6837878494 |
0.75 |
C12C(C(=C)C)CCC1(COC(=O)C)CCC1(C)C3(C)CCC4C(C)(C)C(CCC4(C)C3CCC21)=O
|
|
| MCULE-2999920945 |
0.75 |
C12(C)C(C(C)CCC(OC)=O)CCC1C1C(CC2)C2(CCCCC2C=C1)C
|
|
| MCULE-7247024759 |
0.75 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O
|
|
| MCULE-2352400825 |
0.75 |
C12C(C(=O)OC)C(C(=O)OC)C(C(C(OC)=O)C1C(OC)=O)C=C2
|
|
| MCULE-2458465887 |
0.75 |
O=C(OC)CCC(C)C1CCC2C1(C)C(O)CC1C2CCC2C=CCCC21C
|
|
| MCULE-1105300545 |
0.75 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CC(C)CC)=O
|
|
| MCULE-6563972685 |
0.75 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCC)=O
|
|
| MCULE-6215028771 |
0.75 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCC)CC1=CC2)[H]
|
|
| MCULE-6652384834 |
0.75 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC(C)CC)=O
|
|
| MCULE-5332478343 |
0.75 |
C1C2C(=O)OC(=O)C2C(C)=CC1C1CC(=O)OC1=O
|
|
| MCULE-7503740182 |
0.75 |
C(=O)(OC1CC(C)CCC1C(C)C)C1CCC(C(=O)OC2CC(C)CCC2C(C)C)CC=1
|
|
| MCULE-9395429387 |
0.75 |
C1C(O)C2(C(C3C(CC2)C(C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-2665777576 |
0.75 |
CC1C(C2C=CCCC2)C(=O)CO1
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|
| MCULE-6136215019 |
0.75 |
C1=CC2CC1C(C(=O)OC)C2C(=O)OC
|
|
| MCULE-8245989851 |
0.75 |
C12CC(C=C1)C(C(OC)=O)C2C(O)=O
|
|
| MCULE-2975110457 |
0.75 |
C(CC(=O)OCC)CCCCC/C=C/C/C=C/C/C=C/CC
|
|
| MCULE-4945759027 |
0.75 |
OC(C1(CC=CC1)CC1COCC1)=O
|
|
| MCULE-7694957039 |
0.75 |
O=C1CCC(OCC2CC=CCC2)CC1
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|
| MCULE-8236621147 |
0.75 |
C12C3C(C)(CCC(C)(C(OC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
|
|
| MCULE-7177256815 |
0.75 |
C(CCC(=O)OCC)CCC=CCC=CCC=CCC=CCC=CCC
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|
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0.75 |
C1([H])(C(OC)=O)C2C3C4C1C=CC4C([H])(C(OC)=O)C3C=C2
|
|
| MCULE-1984890609 |
0.75 |
C(/CCCCCCCC(OCC)=O)=C/C/C=C\C/C=C\CC
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| MCULE-5773937031 |
0.75 |
C12C3C=CC1C(C(OC)=O)(C)C1C=CC(C3(C(OC)=O)C)C12
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|
| MCULE-4255982344 |
0.75 |
C(CCCCCCCC=CCC=CCC=CCC)(OCC)=O
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0.75 |
C12C3C(C)(CCC(C)(C(OC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)=O)C
|
|
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0.75 |
C(OC(=O)CCCCCCCCCC=CCC=CCCCCC)C
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|
| MCULE-4304799829 |
0.75 |
C(CCCCCCCC=CCC=CCCCCC)(OCC)=O
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|
| MCULE-2024187649 |
0.75 |
[C@]12(C)CCC[C@](C)(C(O)=O)C1CCC(=C)[C@@H]2CCC(C)CCOC(C)=O
|
|
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0.75 |
C(OCC)(=O)C1CCC(CC1)=C
|
|
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0.75 |
CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O
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0.75 |
CC1=CC(CC2C1C(=O)OC2=O)C1CC(=O)OC1=O
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0.75 |
CC1=CC2C(CC1)C(=O)OC2=O
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CCOC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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CCOC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC
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CCCCC\C=C\C\C=C/CCCCCCCCCC(=O)OCC
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COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1
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CC(C)(C)OC(=O)C1(CCC=CC1)C(O)=O
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COC(=O)C1(C)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1
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0.75 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C\C(=C\O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
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COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
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0.75 |
[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
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0.75 |
COC(=O)C1C2CC(C=C2)C1C(=O)OC
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0.75 |
CCOC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
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COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)C2C1
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0.75 |
COC(=O)C1C2CC(C=C2)C1C(O)=O
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CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC
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COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
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COC(=O)[C@@H]1C2CC(C=C2)[C@H]1C(O)=O
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CCOC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
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CCOC(=O)C1CCC(=C)CC1
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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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0.75 |
CC(CCC1C(=C)CCC2C(C)(COC(C)=O)CCCC12C)CC(O)=O
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0.75 |
CC(CCOC(C)=O)CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
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CC(C)(C)C(=O)OCC(=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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CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
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C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)OC(C)=O)OC1=O
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CCC(=O)OCC(=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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|
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CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
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CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
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| MolPort-000-700-526 |
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CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
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0.74 |
CCC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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0.74 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C4(C)CCC(=O)O4)[C@@H]3CC=C2C1
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0.74 |
CCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
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CCCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
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0.74 |
CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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0.74 |
CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
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0.74 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
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|
| MolPort-035-946-557 |
0.74 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C4(C)CCC(=O)O4)[C@@H]3CC=C2C1
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|
| MolPort-002-510-060 |
0.74 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(O)=O
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| MolPort-000-730-791 |
0.74 |
CCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
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|
| MolPort-044-755-237 |
0.74 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@]4(C)C[C@H](CCC4=C3CC[C@]12C)OC(C)=O
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|
| MolPort-039-338-520 |
0.74 |
COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MCULE-5653473871 |
0.74 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CC)=O)[H]
|
|
| MCULE-1465573856 |
0.74 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCCC)=O)[H]
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|
| MCULE-1094526426 |
0.74 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCC)=O
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|
| MCULE-3623108676 |
0.74 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1C[C@@H]1OC(=O)[C@@H](C)[C@]21[H]
|
|
| MCULE-7919639616 |
0.74 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C1(C)CCC(=O)O1
|
|
| MCULE-1555066285 |
0.74 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCC)=O)[H]
|
|
| MCULE-6632709049 |
0.74 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(=O)CCCCC)(C(=O)C)CC3)CC2
|
|
| MCULE-5613497776 |
0.74 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)C(C)(C)C
|
|
| MCULE-7519944367 |
0.74 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCCC)=O
|
|
| MCULE-7225794462 |
0.74 |
C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@]2(OC(=O)CCCCC)C(C)=O)=CC(=O)C1
|
|
| MCULE-5907023439 |
0.74 |
[C@]1(C(=O)C)(OC(=O)CCCCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C
|
|
| MCULE-7091792733 |
0.74 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(CC)=O)[H]
|
|
| MCULE-8304268118 |
0.74 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(O)=O)=O)C)=O
|
|
| MCULE-1255015250 |
0.74 |
C12(C)CCC3(C([H])(CC=C4CC(CCC34C)OC(C)=O)C1([H])CC(=C)C2(O)C(C)=O)[H]
|
|
| MCULE-8140512979 |
0.74 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(=O)C(C)(C)C)[H]
|
|
| MCULE-2112245744 |
0.74 |
CCCCCC[C@](CC=CCCCCCCCC(OC)=O)(OC(C)=O)[H]
|
|
| MCULE-4622236046 |
0.74 |
O=C(C1CCOCC1)CC1CC=CCC1
|
|
| MCULE-2644108928 |
0.74 |
C(CCC(=CCCC(C)=C)C)(OCC)=O
|
|
| MCULE-8296033831 |
0.74 |
C(C)(=O)OC1CCC2(C)C(C1)(C(CC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])OC(C)=O)[H]
|
|
| MCULE-4242284738 |
0.74 |
C12(CCC(C3C(=O)OC(=O)C13)C=C2)C(=O)O
|
|
| MCULE-5501928946 |
0.74 |
C1(=O)CC2(C/C=C(\C)/CC(=O)/C=C(\C)/C)CC(=O)OC2CC1
|
|
| MCULE-9031983714 |
0.74 |
C1=CC2C3C(C)=C(C)C3C1C(C(OC)=O)C2C(OC)=O
|
|
| MCULE-4207554768 |
0.74 |
C12C=CC(C(C(OC)=O)C1C(OC)=O)C1C=CC21
|
|
| MCULE-8186617947 |
0.74 |
C1=CC2C3C=C(C)C3C1C(C(OC)=O)C2C(OC)=O
|
|
| MCULE-6834807417 |
0.74 |
C1C2(CCOC(C)(C)C2)CCC(=O)C=1
|
|
| MCULE-3124657861 |
0.74 |
C1[C@]2(CCOC(C)(C)C2)CCC(=O)C=1
|
|
| MCULE-2445591436 |
0.74 |
C1C[C@]2([H])[C@](C(=O)O)(C)[C@H](C[C@@H](CC)O)C(C)=C[C@]2([H])CC1
|
|
| MCULE-1993565165 |
0.74 |
C1(/CCC(C/1)C(OC)=O)=C(/C)\C
|
|
| MolPort-044-650-183 |
0.74 |
OC(=O)C12CCC(C=C1)C1C2C(=O)OC1=O
|
|
| MolPort-000-692-442 |
0.74 |
COC(=O)C1C2C=CC(C3C=CC23)C1C(=O)OC
|
|
| MolPort-002-510-983 |
0.74 |
COC(=O)CC1(C)OC2CCCCC2C2C=CCCC12
|
|
| MolPort-001-917-870 |
0.74 |
CC1(C)CC2(CCO1)CCC(=O)C=C2
|
|
| MolPort-046-067-613 |
0.74 |
CC1(C)C[C@@]2(CCO1)CCC(=O)C=C2
|
|
| MolPort-039-338-712 |
0.74 |
C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
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0.74 |
CC(CC\C=C(/C)CCC1C(=C)CCC2C(C)(C)CCC[C@@]12C)OC(C)=O
|
|
| MolPort-035-706-391 |
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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-035-683-181 |
0.74 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(CO)CC[C@@]32C)C(C)=C)C1(C)C
|
|
| MolPort-006-112-402 |
0.73 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-027-849-841 |
0.73 |
CC(C)CCCC(C)C1CC[C@H]2C3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-039-338-640 |
0.73 |
C[C@H](C[C@H](OC(C)=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-002-510-591 |
0.73 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H]3C(CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-039-338-642 |
0.73 |
C[C@H](C[C@H](OC(C)=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
|
|
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0.73 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C=CC4=O)[C@@H]3CC=C2C1
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|
| MolPort-002-528-225 |
0.73 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC
|
|
| MolPort-003-855-482 |
0.73 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC
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|
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0.73 |
CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
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0.73 |
CCOC(=O)C1(CCC=CC1)C(=O)OCC
|
|
| MolPort-004-964-035 |
0.73 |
CCOC(=O)C1C(C)CC=CC1=O
|
|
| MolPort-001-928-668 |
0.73 |
CCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-046-765-240 |
0.73 |
CCCCCCCC\C=C\CCCCCCCC(=O)OCCO
|
|
| MolPort-035-706-216 |
0.73 |
COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1
|
|
| MolPort-019-905-584 |
0.73 |
O=C1OC(=O)C2C=CCCC12
|
|
| MolPort-035-706-307 |
0.73 |
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
|
|
| MCULE-8390750975 |
0.73 |
[C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-8269410469 |
0.73 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(C[C@@H](C4=CC(=O)CC[C@]34C)C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-2247897001 |
0.73 |
COC(C1C2(C)C(C3C(CC2)C2(C)C(CC(CC2)O)=CC3)CC1)=O
|
|
| MCULE-6950544067 |
0.73 |
[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-2479536906 |
0.73 |
[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-3525602825 |
0.73 |
CC(=O)OCC(=O)[C@@]1([C@]2(C[C@@H]([C@@H]3[C@]4(C)C(=CC(=O)CC4)CC[C@H]3[C@@H]2CC1)O)C)O
|
|
| MCULE-3998827933 |
0.73 |
C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(COC(=O)C)=C1)C
|
|
| MCULE-6534469638 |
0.73 |
C(CCCCC=CCCCC)CCC(=O)OC
|
|
| MCULE-5111117747 |
0.73 |
C[C@H]1[C@H](C)[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
|
|
| MCULE-8140747078 |
0.73 |
C(CCCCCCCC=CCCCCCCCC)(OC)=O
|
|
| MCULE-6601751883 |
0.73 |
C1(C)CC(CCC=1C)C(O)=O
|
|
| MCULE-4995415924 |
0.73 |
C(CCC)CCCC/C=C\CCCCCCCC(=O)OC
|
|
| MCULE-9335086572 |
0.73 |
CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
|
|
| MCULE-3212175174 |
0.73 |
C1(C)(CCC(=C(C)C1)C)C(O)=O
|
|
| MCULE-8045386580 |
0.73 |
C1(=O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CCC(C1)(C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
|
|
| MCULE-6367656540 |
0.73 |
C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O)[H]
|
|
| MCULE-3143886740 |
0.73 |
C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
|
|
| MCULE-4832560741 |
0.73 |
C(C)=CCCCCCCCCOC(=O)C
|
|
| MCULE-6217200752 |
0.73 |
O=C(O)[C@]12[C@@](C3=CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])([H])[C@@H](C)[C@H](C)CC2
|
|
| MCULE-1308336736 |
0.73 |
C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C(C(O)CC[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)C(C)C21)C(O)=O)[H]
|
|
| MCULE-9474095410 |
0.73 |
[C@@H]1(O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CC[C@H]([C@@H]1C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
|
|
| MCULE-7088367969 |
0.73 |
[C@@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@H](O)C2(C)C)[H])C(O)=O
|
|
| MCULE-6888052424 |
0.73 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-5533097898 |
0.73 |
C(CCCC(=O)OC)CCCC=CCCCCCC
|
|
| MCULE-1052417281 |
0.73 |
C(CCCCCCCCCCCCCC=CCCCCCCCC)(OC)=O
|
|
| MCULE-2350131012 |
0.73 |
C(CCCCCCCCC=CCCCCCC)(OC)=O
|
|
| MCULE-9625022025 |
0.73 |
CC1CCC(C(=O)O)(C)CC=1
|
|
| MCULE-8493572612 |
0.73 |
C([H])(CCCCCCCC)=C(CCCCCCCCCCCC(=O)OC)[H]
|
|
| MCULE-3684696083 |
0.73 |
CCCCCC/C=C/CCCCCCCC(OC)=O
|
|
| MCULE-5064546197 |
0.73 |
[C@H]1(C)[C@H](C)[C@@]2([H])C3=CC[C@@]4([C@@]5(C)CCC(C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1)=O)[H]
|
|
| MCULE-6247777566 |
0.73 |
C1CC2(C3C(C(=O)C=C2CC1OC(C)=O)C1CCC(C(CCCC(C)C)C)C1(C)CC3)C
|
|
| MCULE-2983690182 |
0.73 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3C(C=C2C1)=O
|
|
| MCULE-5472477242 |
0.73 |
C(C)(=O)OC1CC2=C3C4C(C5CCCC5C3C3C5CCC(C5(C)CCC3C2(C)CC1)C(OC(C1C2C3C5CCC6CCC7(C)CC(CC(=O)C)CCC7=C6C5C5(C)CC(CC(=O)C)CCC5=C3CCC2CC1)=O)=O)CC=C1CC(CCC14C)OC(C)=O
|
|
| MCULE-8770472130 |
0.73 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C(C=C2C1)=O)C(C)=O
|
|
| MCULE-4024956051 |
0.73 |
[C@]12(C)CCC3[C@@]([H])(C(=O)C=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-9929087674 |
0.73 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCC)=O
|
|
| MCULE-9280847330 |
0.73 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-7783153626 |
0.73 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H]
|
|
| MCULE-6762964573 |
0.73 |
C(CC(C)C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-4823161367 |
0.73 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(CCC)=O
|
|
| MCULE-2391054675 |
0.73 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9677472724 |
0.73 |
C(OCCOC(C1CCC=CC1)=O)(C1CCC=CC1)=O
|
|
| MCULE-8950218547 |
0.73 |
C1(C(C)CC=CC1=O)C(OCC)=O
|
|
| MCULE-3490442378 |
0.73 |
C1C[C@]2(C)CC[C@@H](C(C(=O)OC)=C)CC2=C(C)C1
|
|
| MCULE-3633249572 |
0.73 |
C1CC23CC(C(OC)=O)C(=O)C2(CC=CC3)CC=1
|
|
| MCULE-6016945740 |
0.73 |
C(C)(=O)OC1CCC2(C)C(O)(C1)C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)=O
|
|
| MCULE-8879177648 |
0.73 |
OC(C1(CC=CCC1)CC1CC=CC1)=O
|
|
| MCULE-7460548556 |
0.73 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CC)CCC4C3CCC2(C1)[H]
|
|
| MCULE-1496776491 |
0.73 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(CC)=O)[H]
|
|
| MCULE-1802725599 |
0.73 |
C/C(/C)=C/C1C(C)(C)C1C(OC1C(C#N)CCCC1)=O
|
|
| MCULE-9979696719 |
0.73 |
CC1C(C)C2C(C)(CCC3(C)C4(C)CCC5C(C(O)=O)(C)C(OC(C)=O)CCC5(C)C4C(=O)C=C32)CC1
|
|
| MCULE-7414624056 |
0.73 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC=C2C(C)=O
|
|
| MCULE-5886720027 |
0.73 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(COC(C)=O)=O
|
|
| MCULE-3011305929 |
0.73 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(C)=O)[H]
|
|
| MCULE-5533130729 |
0.73 |
C1C[C@@]2(C3C(=O)C=C4[C@@]5([H])[C@](CC[C@@]4(C)[C@@]3(CCC2[C@]([C@@H]1OC(C)=O)(C(=O)O)C)C)(C)CC[C@@H](C)[C@@H]5C)C
|
|
| MCULE-7465845608 |
0.73 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC(C)=C2C1)C(C)=O
|
|
| MCULE-6800370955 |
0.73 |
C1C[C@]2(C)[C@@]3([H])C(=O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1OC(=O)C
|
|
| MCULE-9824449913 |
0.73 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)=C2C(C)=O
|
|
| MCULE-9074787128 |
0.73 |
[C@]12([H])C(=O)C=C3[C@]4([H])[C@@H](C)[C@@H](CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])[C@@](C)(C(=O)O)[C@@H](CC[C@]21C)OC(=O)C)C)C
|
|
| MCULE-9952649566 |
0.73 |
CC12CCC3([H])C4(CCC(OC(=O)C)CC4=C(C)CC3([H])C1([H])CC(C)=C2C(=O)C)C
|
|
| MCULE-6309054443 |
0.73 |
C1=CC2C1C(C(OC)=O)C2C(OC)=O
|
|
| MCULE-2555944797 |
0.73 |
CC1C(C2C=CCCCCC2)C(=O)CO1
|
|
| MCULE-8723675857 |
0.73 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](OC=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-1684395189 |
0.73 |
C1=CC2C(C(CCC2C2(C)C1C(C)(C(CCC)=O)OC2=O)C)O
|
|
| MCULE-7586213775 |
0.73 |
C12([H])CC(O)C3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-8275410960 |
0.73 |
O=C1CC[C@@]2([C@]3(C(=O)C[C@@]4(C)[C@](CC[C@@]4(C(=O)COC(=O)C)O)([H])[C@]3([H])CCC2=C1)[H])C
|
|
| MCULE-7240141445 |
0.73 |
[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-7406575942 |
0.73 |
C12(C)CC(=O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-3552862554 |
0.73 |
C12CC(C(C(O)=O)C1C(OCC#C)=O)C=C2
|
|
| MCULE-2875423098 |
0.73 |
C12(C)C[C@H](C3C4(C)C=CC(=O)CC4CCC3C1C[C@@H](C)[C@]2(O)C(=O)COC(=O)C)O
|
|
| MCULE-3185796840 |
0.73 |
C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-8805854090 |
0.73 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
|
|
| MCULE-1716653767 |
0.73 |
CC(OCC([C@@]1([C@]2(C)[C@H]([C@H]3[C@H]([C@H](C2)O)[C@]2(C)C(=CC(CC2)=O)CC3)CC1)O)=O)=O
|
|
| MolPort-035-836-438 |
0.73 |
CC(C)=CC1C(C(=O)OC2CCCCC2C#N)C1(C)C
|
|
| MolPort-009-015-246 |
0.73 |
COC(=O)CC[C@]1(C)[C@H]2CCC[C@H]3COC[C@@]23C(=O)C=C1C
|
|
| MolPort-003-892-390 |
0.73 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-002-506-971 |
0.73 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-507-401 |
0.73 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-005-945-214 |
0.73 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
|
|
| MolPort-002-510-540 |
0.73 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-044-755-247 |
0.73 |
CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
|
|
| MolPort-046-596-237 |
0.73 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C)=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-002-525-134 |
0.73 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C)=C4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-044-649-740 |
0.73 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-044-724-662 |
0.73 |
CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC(C)=O)C(C)(C5CCC34C)C(O)=O)C2C1C
|
|
| MolPort-000-725-088 |
0.73 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-020-005-785 |
0.73 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
|
|
| MolPort-046-596-360 |
0.73 |
C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-001-932-115 |
0.73 |
CC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-002-528-163 |
0.73 |
CCC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-046-690-258 |
0.73 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-046-598-125 |
0.73 |
CCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-116-802 |
0.73 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC(C)=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-002-524-164 |
0.73 |
C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-035-705-937 |
0.73 |
CC(=O)OC[C@H](O)[C@@]1(C)CC[C@@H]2C(CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]23C)=C1
|
|
| MolPort-046-596-253 |
0.73 |
CC(=O)[C@@]1(O)CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC=O
|
|
| MolPort-002-519-875 |
0.73 |
CC(=O)[C@@]1(O)CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC=O
|
|
| MolPort-039-052-437 |
0.73 |
CC1[C@H]2C[C@]3([C@@H](CC2)[C@@]2(COC3=O)[C@H](C=O)C(C)(C)C=CC2=O)C1=O
|
|
| MolPort-046-697-238 |
0.73 |
CCCC(=O)C1(C)OC(=O)C2(C)C1C=CC1C(O)C(C)CCC21
|
|
| MolPort-002-521-223 |
0.73 |
COC(=O)CC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-832-304 |
0.73 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC12C
|
|
| MolPort-046-687-677 |
0.73 |
COC(=O)C1(CCC=CC1)C=O
|
|
| MolPort-046-596-392 |
0.73 |
C[C@H]1CC2C3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)CC(O)C2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-002-507-122 |
0.73 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
|
|
| MolPort-003-666-150 |
0.73 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
|
|
| MolPort-002-527-626 |
0.73 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
|
|
| MolPort-002-528-836 |
0.73 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-002-506-876 |
0.73 |
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-510-492 |
0.73 |
OC(=O)C1C2CC(C=C2)C1C(=O)OCC#C
|
|
| MolPort-035-394-235 |
0.73 |
CC(=O)OCC(=O)C1(O)CCC2C1CC(O)C1C2CCC2=CC(=O)CCC12
|
|
| MolPort-000-823-748 |
0.73 |
COC(=O)CCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-003-940-344 |
0.73 |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OCC
|
|
| MolPort-002-506-884 |
0.73 |
COC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-005-933-841 |
0.73 |
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
|
|
| MolPort-002-511-796 |
0.73 |
COC(=O)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-035-757-138 |
0.73 |
OC(=O)C1[C@H]2C[C@H](C=C2)C1C(=O)OCC#C
|
|
| MolPort-001-740-055 |
0.73 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-000-207-694 |
0.73 |
COC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-035-706-401 |
0.73 |
COC(=O)[C@@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
|
|
| MolPort-002-550-337 |
0.73 |
OC(=O)C1C2CC(C=C2)[C@@H]1C(=O)OCC#C
|
|
| MolPort-046-689-739 |
0.73 |
[2H]C([2H])([2H])C([2H])([2H])OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
|
|
| MolPort-039-139-179 |
0.73 |
CCOC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC
|
|
| MolPort-002-911-110 |
0.73 |
C[C@@H]1CC2C3CCC4CC(=O)C=CC4(C)C3[C@H](O)CC2(C)[C@@]1(O)C(=O)COC(C)=O
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|
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0.73 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-003-927-107 |
0.73 |
CCCCCCCC\C=C/CCCCCCCCCC(=O)OC
|
|
| MolPort-002-525-147 |
0.73 |
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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0.73 |
CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2COC(C)=O)CC(O)=O
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| MolPort-022-366-438 |
0.73 |
CC1=CCC(CC1)C(O)=O
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|
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0.73 |
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
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|
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0.73 |
CCCCCC\C=C/CCCCCCCCCC(=O)OC
|
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0.73 |
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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| MolPort-009-019-018 |
0.73 |
CCCCCCCC\C=C/CCCCCC(=O)OC
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| MolPort-003-933-240 |
0.73 |
CCCCCCCC\C=C\CCCCCCCC(=O)OC
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|
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0.73 |
CC1=C(C)CC(CC1)C(O)=O
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|
| MolPort-001-741-050 |
0.73 |
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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0.73 |
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
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|
| MolPort-003-916-055 |
0.73 |
CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC
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0.73 |
CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
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|
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0.73 |
CCCCCC\C=C\CCCCCCCC(=O)OC
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|
| MolPort-003-938-663 |
0.73 |
CCCC\C=C/CCCCCCCC(=O)OC
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0.73 |
CC1=CCC(C)(CC1)C(O)=O
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0.73 |
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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|
| MolPort-003-959-122 |
0.73 |
CCCCC\C=C/CCCCCCCCCCC(=O)OC
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0.73 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(=O)C(C)(C)C5CCC34C)C2C1C)C(O)=O
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0.73 |
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
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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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0.73 |
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(CC[C@]3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
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CCCCCC\C=C\CCCCCCCCCC(=O)OC
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0.73 |
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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CCCCCCCCCCC\C=C/CCCCC(=O)OC
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CCCCCC\C=C/CCCCCCCC(=O)OC
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0.73 |
CC1=C(C)CC(C)(CC1)C(O)=O
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CCCCCCCC\C=C/CCCCCCCC(=O)OC
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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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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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CCCCCC\C=C/CCCCCCCCC(=O)OC
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)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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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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CCCCCCCCCCCCCC\C=C\CCCC(=O)OC
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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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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
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CCCCCCCCC=CCCCCCCCC(=O)OC
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COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC[C@]13C=C(C(C)C)C(CC21)C1C3C(=O)C=CC1=O
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CC(=O)OC1CCC2C(=CCC3[C@@]2(C)CC[C@@]2(C)C4CC(C)(C)CC[C@]4(C)CC[C@]32C)C1(C)C
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CCOC(=O)C1(CC(C)=C(C)CC1C(=O)OC(C)(C)C)C(=O)OCC
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CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
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CC(=O)OC1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
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CC(=O)OC1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OC(C)=O
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CC(=O)O[C@]1(C(C)=O)C(=C)CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
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CC(=O)OC1CCC2C3C=CC4=CC(=O)CCC4C3CC[C@]12C
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CC\C=C/CC1C(=O)C=CC1(O)CCCCC1CCC(=O)O1
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CCOC(=O)C1(CC(C)=C(C)CC1C(O)=O)C(=O)OCC
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CC(=O)O[C@]1(C(C)=O)C(=C)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
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CC\C=C\CC1C(CC(=O)OC)CCC1=O
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OC(=O)C1C2CCCCC2=C2CCCCC2C1C(O)=O
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CC\C=C/C[C@@H]1[C@@H](CC(=O)OC)CCC1=O
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CC1(C(C2CCCCC2=C2CCCCC12)C(O)=O)C(O)=O
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OC(=O)C1C2CCC(C=C2)C1C(O)=O
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CC1(O)OC[C@]23CC=C4[C@@H](CCC5CC(=O)CC[C@]45C)C2CC[C@H]13
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CC1=C2C[C@H]3[C@@H](C[C@@]2(C)[C@H](O)CC1)OC(=O)C3=C
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C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@@](C)(O)C=CC3=O
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C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
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C[C@H]1C2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
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CC(C)(C)C1CCC(CC1)OC(=O)C1CC=CCC1C(=O)OCC1CCCO1
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C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C)CC(=O)OC
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0.72 |
OC(C1(CC=CC1)CC1OCCC1)=O
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C1(C)(C)C(C)=CCC1CC(O)CC(=O)C(C)C(=O)OCC
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CC1OC(CC2(C(O)=O)CC=CC2)CC1
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0.72 |
OC(C1(CC=CC1)CC1OCCCC1)=O
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O=C1C=C(CCC2OCCCC2)CCC1
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C(=O)(OC(C)(C)C#C)C1CC(C)=CCC1C(O)=O
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C1C[C@@]2([H])C(=CC1=O)CC[C@]1([C@@]3([H])[C@@](CC[C@]21[H])(C)[C@@](OC(=O)C)(C(=O)C)C(=C)C3)[H]
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CC(=O)O[C@H]1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C1)C)[H])C
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0.72 |
[C@]12(C)CCC(CC1=CC(=O)C1C2CC[C@]2(C1CCC2OC(C)=O)C)OC(C)=O
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0.72 |
C1CC2(C)C(=CC(=O)C3C2CCC2(C)C(=O)CCC32)CC1OC(=O)C
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0.72 |
CC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2([H])C(=CC(=O)CC2)CC3)[H])([H])CC1=C)OC(=O)C
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C1(C(OCC)=O)(C(OCC)=O)CC(C)=C(CC1C(O)=O)C
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[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(=C)[C@@]2(C(C)=O)OC(C)=O
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0.72 |
O=CC1(CCOCC1)CC1CC=CCC1
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C1(C2CCC(C=C2)C1C(O)=O)C(O)=O
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O=C(CC1CCC(=O)C1CC=CCC)OC
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C1(C)(C(O)=O)C2CCCCC2=C2C(CCCC2)C1C(O)=O
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[C@@H]1(CCC(=O)[C@@H]1CC=CCC)CC(=O)OC
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C12CCCCC1C(C(O)=O)C(C1CCCCC=21)C(O)=O
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0.72 |
C1CC2(C(CC=1)(C(O)=O)CCCC2)CC(O)=O
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|
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0.72 |
C12C(CCC(F)C=1)CC(C(OC)=O)C2
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0.72 |
O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(OCC)=O)C=O
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0.72 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(O)C21
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|
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0.72 |
C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
|
|
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0.72 |
C1C(=O)[C@@]2(CC[C@]3([H])[C@@H]([C@@]2([H])[C@@](O)(C)C=1)OC(=O)[C@H]3C)C
|
|
| MCULE-9439093573 |
0.72 |
[C@H]12[C@@H](CC[C@@]3(C)C(C=C[C@@](C)(O)[C@]13[H])=O)[C@@H](C(=O)O2)C
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|
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0.72 |
C12C(CCC3(C)C(C=CC(C)(O)C13[H])=O)C(C(=O)O2)C
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|
| MCULE-5794443172 |
0.72 |
C(=O)(OC1CCC(CC1)C(C)(C)C)C1CC=CCC1C(=O)OCC1CCCO1
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C1[C@@H](O)C2[C@@H](C)[C@@]3([H])OC(=O)C(=C)[C@@]3([H])CC2=C(C)C1
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0.72 |
C1C(C)C(C(O)=O)(C)C(C(OC)=O)CC=1
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|
| MCULE-7110389607 |
0.72 |
O=C1C=CC2(CCOCC2)CC1
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| MCULE-3889682039 |
0.72 |
C12(CC(OC1=O)=O)CCC(=C)C2(C)C
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|
| MCULE-4937005028 |
0.72 |
[C@]12(C)CCC3C(CCC4=CC(=O)CCC43)C1CC[C@]12CCO1
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|
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0.72 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(CO)=O)[H]
|
|
| MCULE-7783529046 |
0.72 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(C)=O
|
|
| MCULE-9803186551 |
0.72 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-5585134478 |
0.72 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCCC=CCC=CCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-9558386116 |
0.72 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-2339507429 |
0.72 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(CO)=O
|
|
| MCULE-6809618026 |
0.72 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(CC4C3CC=C2C1)OC(C)=O)=O
|
|
| MCULE-9006451734 |
0.72 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-1857694923 |
0.72 |
[C@@]12([H])C[C@@]([H])(C=C1)C[C@@H]2C(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-1591807077 |
0.72 |
C1CC(OC(=O)C)CCC=C1
|
|
| MCULE-5677861178 |
0.72 |
[C@H]1(C(O)=O)[C@]2([H])C[C@]([H])(C1)C=C2
|
|
| MCULE-5757363366 |
0.72 |
C12C3C4C=CCC4C1C(C)(C(OC)=O)C1C4CCC5(C)C(O)C3(C)C(C45)C21
|
|
| MCULE-2570487264 |
0.72 |
OC(C1C2C=CC(C2)C1)=O
|
|
| MCULE-3023348221 |
0.72 |
C1(C)(CC2CC1C=C2)C(O)=O
|
|
| MCULE-8698149631 |
0.72 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2OC(CC)=O)C)OC(CC)=O
|
|
| MCULE-2241145060 |
0.72 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CC)=O
|
|
| MCULE-4281057656 |
0.72 |
C1=C(C)CC(C(COC(CCl)=O)C1C)C
|
|
| MCULE-1853650577 |
0.72 |
C12(C)CC[C@@]3(C(CC=C4C[C@@]([H])(CCC34C)OC(C(C)C)=O)[C@@]1([H])CCC2C(C)CCCC(C)C)[H]
|
|
| MCULE-8277570953 |
0.72 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC)=O
|
|
| MCULE-3755877935 |
0.72 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CC)=O)C1CCC2C(C)CCCC(C)C
|
|