| MolPort-039-338-710 |
0.91 |
C[C@@H]1C[C@H](O[C@H]2C[C@@]3(C)C(C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)=C12)[C@@H](O)C(C)=C
|
|
| MolPort-039-338-711 |
0.90 |
C[C@@H]1C[C@H](O[C@H]2C[C@@]3(C)C(C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)=C12)[C@@H](O)C(C)(C)O
|
|
| MCULE-9977303983 |
0.90 |
C[C@]12C[C@]3([H])O[C@]([H])([C@@H](O)C(O)(C)C)C[C@@H](C)C3=C1C[C@H](O)[C@@]1([H])[C@]3(CCC(=O)C(C)(C)[C@]3([H])CC[C@]21C)C
|
|
| MCULE-7082050674 |
0.90 |
CC([C@@H]([C@H]1O[C@H]2C[C@@H]3[C@]4(CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](O)CC3=C2C(C)(C)C1)C)O)(O)C
|
|
| MCULE-1728259151 |
0.82 |
C1=CC(OC(C(O)CCCCC)C1)CCCCCCC(=O)O
|
|
| MolPort-046-697-310 |
0.82 |
CCCCCC(O)C1CC=CC(CCCCCCC(O)=O)O1
|
|
| MolPort-046-697-250 |
0.80 |
CC(CC(O)=O)CC1(O)C(O)C2OC1C=C2C
|
|
| MCULE-3431366783 |
0.80 |
C1=C(C)C2OC1C(O)(CC(C)CC(=O)O)C2O
|
|
| MCULE-2291866392 |
0.80 |
CC(O[C@@H](C(O)(C)C)[C@H]1O[C@H]2C[C@@H]3[C@]4(C)[C@H]([C@@]5([C@@H](CC4)C(C)(C)C(=O)CC5)C)[C@@H](O)CC3=C2C(C)(C)C1)=O
|
|
| MolPort-046-697-385 |
0.74 |
CC(C)(O)C1OC1C1=CC(=O)C(C)(O)CC1O
|
|
| MCULE-9147984208 |
0.74 |
C1(C(O)CC(O)(C)C(C=1)=O)C1OC1C(O)(C)C
|
|
| MolPort-046-685-782 |
0.73 |
CC1=C[C@H]2O[C@@H]3[C@@H](O)C[C@@](C)([C@]33CO3)[C@@]2(CO)[C@H](O)C1=O
|
|
| MolPort-039-336-980 |
0.73 |
CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@](C)([C@]33CO3)[C@@]2(CO)[C@@H](O)C1=O
|
|
| MolPort-044-561-106 |
0.73 |
CC1=C[C@H]2O[C@@H]3[C@H](O)CC(C)(C33CO3)[C@@]2(CO)[C@H](O)C1=O
|
|
| MolPort-001-739-610 |
0.73 |
CC1=CC2OC3[C@H](O)C[C@@](C)(C33CO3)[C@@]2(CO)[C@H](O)C1=O
|
|
| MolPort-039-145-171 |
0.73 |
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]33CO3)[C@@]2(CO)[C@H](O)C1=O
|
|
| MolPort-046-767-512 |
0.73 |
CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@](C)([C@]33CO3)[C@@]2(CO)[C@@H](O)C1=O
|
|
| MolPort-035-705-938 |
0.73 |
C[C@]12CCC3=C(CC[C@@H]4C(C)(C)[C@H](O)CC[C@@]34C)[C@H]1OC[C@@H]2O
|
|
| MolPort-005-944-321 |
0.73 |
CC1=CC2OC3CC(O)[C@@](C)(C33CO3)[C@@]2(C)C(O)C1=O
|
|
| MolPort-003-925-048 |
0.73 |
CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]33CO3)[C@@]2(CO)[C@H](O)C1=O
|
|
| MolPort-039-338-708 |
0.73 |
C[C@@H]1C[C@H](O[C@H]2C[C@@]3(C)C(C=C[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)=C12)[C@@H](O)C(C)(C)O
|
|
| MCULE-8766216455 |
0.73 |
C12(C3CC(O)[C@]1(C)[C@@]1(C)C(O)C(=O)C(=CC1O3)C)OC2
|
|
| MCULE-6691336657 |
0.73 |
O=C1[C@H]([C@@]2([C@@]3([C@]4(CO4)[C@]([C@@H](C3)O)([H])O[C@]2([H])C=C1C)C)CO)O
|
|
| MCULE-5992308149 |
0.73 |
[C@@]12(CO1)[C@@]1([H])[C@@H](C[C@]2(C)[C@@]2(CO)[C@H](O)C(=O)C(C)=C[C@@]2([H])O1)O
|
|
| MCULE-6924666527 |
0.73 |
C12(C3[C@H](O)C[C@]1(C)[C@@]1(CO)[C@H](O)C(=O)C(=CC1O3)C)OC2
|
|
| MolPort-046-697-153 |
0.72 |
CC(C)(O)C1OC1C1=CC(=O)C(C)(O)C(O)C1O
|
|
| MCULE-3082170792 |
0.72 |
C1C(=O)C(C)(O)C(O)C(O)C=1C1OC1C(O)(C)C
|
|
| MCULE-1631535635 |
0.72 |
O1C2CCCC31C=CC1(C)C(C(C)CCC(OC)=O)CCC1C3CCC(C)(C2)[H]
|
|
| MCULE-5288653087 |
0.72 |
C1C(C2(C(C(C=C(C2(O)CO)CO)OC(CCCCCCC)=O)C(C)(C)C1)C)O
|
|
| MCULE-1713731192 |
0.72 |
C1CC(C)(C)C2C(C(CO)(C(=CC2OC(CCCCC)=O)CO)O)(C1O)C
|
|
| MolPort-005-944-535 |
0.72 |
CCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-005-944-539 |
0.72 |
CCCCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-002-911-069 |
0.71 |
CC12CC(=O)C3C(CCC4=CC5(CCC34C)OCCO5)C1CCC21OCCO1
|
|
| MolPort-019-931-867 |
0.71 |
CCCC(O)C1OCC2=C1C(O)C(O)C(O)C2O
|
|
| MolPort-002-527-463 |
0.71 |
C[C@H]1[C@@H]2CC[C@](C)(O)C3[C@H]4[C@H]5[C@H](O)[C@@]6(C)O[C@@]7(C)CC[C@H]8[C@H](C)C(=O)O[C@@H]8C6([C@H]4C(C)=C3[C@H]2OC1=O)C57
|
|
| MCULE-5985294452 |
0.71 |
C12COC(C(CCC)O)C=1C(O)C(O)C(O)C2O
|
|
| MCULE-5064582585 |
0.71 |
C12(OCCO1)CCC1C3CCC4=CC5(CCC4(C)C3C(=O)CC21C)OCCO5
|
|
| MCULE-2745275424 |
0.71 |
C123[C@@H]4[C@@H](CC[C@@]5(O[C@]1(C)[C@H]([C@@]([C@]1([H])C6C([C@@H]7[C@@H](CC[C@]6(C)O)[C@@H](C(=O)O7)C)=C(C)[C@]21[H])([H])C35)O)C)[C@@H](C(=O)O4)C
|
|
| MCULE-7264992526 |
0.71 |
C12OC1C1(C)C34OC(C=C3C3CCC(C(/C=C/C(C)C(C)C(=O)O)C)C3(CO)CC4)C1(O)C1OC21
|
|
| MCULE-8456669141 |
0.71 |
C1(=C2CCC(O[C@@]2(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1)=O)C
|
|
| MCULE-9630312174 |
0.71 |
C1CC2(C)CCC3(O)C(C)C(=O)OC3C2=C(C)C1
|
|
| MolPort-046-697-440 |
0.71 |
CC(\C=C\C(C)C1CCC2C3=CC4OC3(CCC12CO)C1(C)C2OC2C2OC2C41O)C(C)C(O)=O
|
|
| MolPort-046-762-949 |
0.71 |
CC(=O)[C@H]1C[C@]2(C)C3(CO3)[C@@H]1O[C@H]1C=C(C)C(=O)[C@H](O)[C@@]21CO
|
|
| MolPort-001-741-130 |
0.71 |
CC1=C2CCC(=O)O[C@@]2(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-021-804-667 |
0.71 |
CC1C(=O)OC2C3=C(C)CCCC3(C)CCC12O
|
|
| MolPort-021-804-665 |
0.70 |
CC1C(=O)OC2C3=C(C)C(O)CCC3(C)CCC12O
|
|
| MCULE-4627485071 |
0.70 |
C1CC2(C)CCC3(O)C(C)C(=O)OC3C2=C(C)C1O
|
|
| MCULE-9996412338 |
0.70 |
C12OC(=O)C(C)(C3C(C(O)=O)C45CC(=C)C(O)(CCC4C3=C1)C5)C2O
|
|
| MCULE-6120787334 |
0.70 |
C12CC34CCCCC3(C=C1)C4C(=O)O2
|
|
| MolPort-019-931-870 |
0.70 |
CC12C(O)C(OC1=O)C=C1C3CCC4(O)CC3(CC4=C)C(C21)C(O)=O
|
|
| MolPort-027-640-917 |
0.70 |
CCCCC[C@@H]1OC(=O)CCC\C=C/C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2\C=C\1
|
|
| MolPort-039-141-792 |
0.69 |
CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O
|
|
| MolPort-029-943-072 |
0.69 |
C\C=C(\C)C(=O)OC1CCC2(C)C(C(O)CC3=C2C(=O)OC3)C1(C)C
|
|
| MolPort-001-741-129 |
0.69 |
CC1=C(CCC(O)=O)[C@@](C)(O)[C@@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MCULE-1414318418 |
0.69 |
O1C(=O)C(C[C@H](O)CCCCC[C@@H](O)CCCC[C@@H](O)[C@H]2CC[C@H]([C@H](O)CCCCCCCCCCCC)O2)=C[C@@H]1C
|
|
| MCULE-4274335769 |
0.69 |
C1[C@H](C)OC(=O)C=1C[C@H](O)CCCCC[C@@H](O)CCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCCC)O1
|
|
| MCULE-8674366228 |
0.69 |
C(C)(=O)OC1CCC2(C)C3C(CC=C2C1)C1CCC(C1CC3)C(OC1C=CC2C3CC(CC3)C12)=O
|
|
| MCULE-9289500370 |
0.69 |
C1(=C(CCC(O)=O)[C@](O)(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1)C
|
|
| MCULE-8771172896 |
0.69 |
C1CC2(C)C3C(=O)OCC=3CC(O)C2C(C)(C)C1OC(=O)/C(/C)=C\C
|
|
| MCULE-3121318461 |
0.69 |
C1CC2(O)C(=O)C(C)=C(C)C2(C(C)=O)OC1(C)CCCC(C)CCCC(C)CCCC(C)C
|
|
| MCULE-2246615794 |
0.69 |
C12C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C[C@@]4(CC[C@]3(C)[C@@]1(C)CCC=2[C@H](C)C[C@H](O)[C@@]1([H])C(C)(C)O1)[H]
|
|
| MCULE-4298463614 |
0.69 |
O=C1C(C)(C)[C@@]2([H])[C@]([C@]3([C@@](CC2)(C)[C@]2(C)C(=C(CC2)[C@H](C)C[C@H](O)[C@@H]2C(C)(C)O2)C[C@@H]3O)[H])(C)CC1
|
|
| MCULE-1660597451 |
0.69 |
CC(C1=C2C[C@@H]([C@@H]3[C@@](C)([C@H]2CC1)CC[C@@H]1[C@@]3(CCC(C1(C)C)=O)C)O)(C[C@@H]([C@@H]1C(C)(C)O1)O)C
|
|
| MolPort-005-945-955 |
0.69 |
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2(O)C(=O)C(C)=C(C)C2(O1)C(C)=O
|
|
| MolPort-044-183-181 |
0.69 |
CCCCC[C@@H](O)\C=C\[C@@H]1C[C@@H](O)[C@H]2OC(=O)C[C@@H]12
|
|
| MolPort-039-336-702 |
0.69 |
CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)[C@]11CO1
|
|
| MolPort-046-702-694 |
0.69 |
CC(=O)OCC12C(O)C(=O)C(C)=CC1OC1C(O)CC2(C)C11CO1
|
|
| MolPort-046-426-155 |
0.69 |
CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)C11CO1
|
|
| MolPort-027-836-480 |
0.69 |
C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-044-561-115 |
0.68 |
CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-005-944-538 |
0.68 |
CCCCCC(=O)OC1C=C2COC(=O)C2(O)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-046-426-267 |
0.68 |
CO[C@H]1C[C@H]2C=C[C@H]3[C@H]4O[C@@]2([C@@H]3[C@H](O)[C@@H](C)[C@H]4O)\C(C)=C/[C@@H](C)[C@H](OC1=O)[C@@H](C)O
|
|
| MCULE-3799754175 |
0.68 |
C1CC(C)(C)C2C(C)(C1O)C1(C(COC1=O)=CC2OC(CCCCC)=O)O
|
|
| MCULE-6126592730 |
0.68 |
O1C2C31C(C)(CCC(O)C3)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=C2)[H]
|
|
| MCULE-1459395786 |
0.68 |
C1CC2(C)C(CCC(CC(O)=O)C)=C(C)C(O)C(OC(=O)C)C2C(C)(C)C1
|
|
| MCULE-4824233854 |
0.68 |
C1(O)C=CC(O)CCC(=O)OC(C1O)CCCCCCC
|
|
| MolPort-019-936-929 |
0.68 |
CC(CCC1=C(C)C(O)C(OC(C)=O)C2C(C)(C)CCCC12C)CC(O)=O
|
|
| MolPort-001-739-225 |
0.68 |
CCCCCCCC1OC(=O)CCC(O)\C=C\C(O)C1O
|
|
| MolPort-021-804-541 |
0.68 |
CC(=O)OC1C(O)C=C(C)C2CC3C(CC12C)OC(=O)C3=C
|
|
| MolPort-046-683-997 |
0.68 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(C)C(=O)O1
|
|
| MolPort-002-324-500 |
0.67 |
CC12CC=C3C(CC[C@@]45CC6(CC[C@@]34O5)OCCO6)C1CCC2=O
|
|
| MolPort-046-509-020 |
0.67 |
CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O
|
|
| MolPort-016-638-434 |
0.67 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-027-641-219 |
0.67 |
CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-044-183-412 |
0.67 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@H](CCCCC(O)=O)C[C@H]12
|
|
| MolPort-019-931-729 |
0.67 |
CCCC(O)C1OCC2=C1C(O)C1OC1C2O
|
|
| MolPort-001-741-109 |
0.67 |
CC1=CCC2C(C)(C)CCC[C@]2(C)[C@@]11CC[C@](C)(CC(O)=O)O1
|
|
| MolPort-039-138-962 |
0.67 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@@H](CCCCC(O)=O)C[C@H]12
|
|
| MolPort-046-693-328 |
0.67 |
CCOC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
|
|
| MolPort-019-939-202 |
0.67 |
CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@]1(C)[C@]21CO1
|
|
| MolPort-019-937-147 |
0.67 |
CC(=O)CCC1=C(C)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)CC1(C)C
|
|
| MCULE-1838518608 |
0.67 |
C1(CC(CCCCCCCCCCC(O)C2CCC(C3CCC(C(CCCCCCCCCC)O)O3)O2)O)=CC(OC1=O)C
|
|
| MCULE-5064018054 |
0.67 |
[C@]123CCC4(C[C@]1(O2)CCC1C2C(C)(C(CC2)=O)CC=C31)OCCO4
|
|
| MCULE-5796859609 |
0.67 |
C123CCC4(CC1(O2)CCC1C2C(C)(C(CC2)=O)CC=C31)OCCO4
|
|
| MCULE-2313890542 |
0.67 |
[C@@H]1(O)[C@@H](O)[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4(O)[C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C
|
|
| MCULE-7484851551 |
0.67 |
[C@]12(CC[C@@](CC(=O)O)(C)O1)C(C)=CCC1[C@@]2(CCCC1(C)C)C
|
|
| MCULE-9559893813 |
0.67 |
C12COC(C(CCC)O)C=1C(O)C1OC1C2O
|
|
| MCULE-3556278569 |
0.67 |
O1C2(CCC(C(OCC)=O)=C(C)C2)OCC1
|
|
| MCULE-3989290466 |
0.67 |
C1C(C)(C)C(CCC(=O)C)=C(C)C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C1O
|
|
| MCULE-1396534041 |
0.67 |
C[C@]12[C@@]3(OC3)[C@H](O[C@@]3(C=C(C(=O)[C@H](O)[C@]13CO)C)[H])[C@H](O)[C@H]2OC(=O)C
|
|
| MCULE-5179814934 |
0.67 |
C1(C)=C[C@@]2([H])O[C@]3([H])[C@H](O)[C@@H](OC(C)=O)[C@@](C)([C@]43OC4)[C@@]2(CO)[C@H](O)C1=O
|
|
| MCULE-8124059910 |
0.67 |
C1(C(O)C2OC2(C)C(C=1)=O)C1OC1C(O)(C)C
|
|
| MCULE-1499638877 |
0.67 |
CC(C(C1C(CC2C(O)C(O)C(CC(=CC(OCCCCCCCCC(=O)O)=O)C)OC2)O1)C)O
|
|
| MCULE-3305666834 |
0.67 |
[C@H]12OC(=O)C([C@@H]1[C@H](OC(/C(/C)=C/CO)=O)C[C@]1(O)CO[C@@H]3C=C(C)[C@@]2([H])[C@]13[H])=C
|
|
| MCULE-5325377420 |
0.67 |
O=C(CCCCCCCCOC(=O)/C=C(/C[C@H]1[C@H](O)[C@H](O)[C@@H](C[C@H]2[C@H]([C@@H](C)[C@H](C)O)O2)CO1)\C)O
|
|
| MCULE-4547933367 |
0.67 |
C1CC2C(O)C3OC(=O)C(C)=C3C[C@]2(C)[C@H](C1)C
|
|
| MCULE-5198741898 |
0.67 |
[C@H]1(O)[C@@H](O)[C@H](CC(C)=CC(=O)OCCCCCCCCC(=O)O)OC[C@]1([H])C[C@H]1[C@@]([C@@H](C)[C@@H](O)C)([H])O1
|
|
| MCULE-1584743999 |
0.67 |
[C@]1([H])(C[C@H]2CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC(=O)O)[C@H](O)[C@@H]2O)O[C@@]1([H])[C@@H](C)[C@@H](O)C
|
|
| MolPort-039-339-221 |
0.67 |
C\C(=C/CO)C(=O)O[C@@H]1C[C@]2(O)CO[C@@H]3C=C(C)[C@H]([C@H]4OC(=O)C(=C)[C@H]14)[C@H]23
|
|
| MolPort-046-762-778 |
0.67 |
CC(O)C(C)C1OC1CC1COC(C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)C(O)C1O
|
|
| MolPort-005-945-151 |
0.67 |
C[C@H]1CCCC2C(O)C3OC(=O)C(C)=C3C[C@]12C
|
|
| MolPort-046-195-363 |
0.67 |
C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O
|
|
| MolPort-000-742-883 |
0.67 |
C1CCC2(CC1)OC1CCCCC1=C1CCCCC21.C1CCC2(CC1)OC1CCCCC1C1=CCCCC21
|
|
| MolPort-019-931-713 |
0.67 |
CC(C)(O)C1OC1C1=CC(=O)C2(C)OC2C1O
|
|
| MolPort-003-666-882 |
0.67 |
C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O
|
|
| MolPort-039-145-144 |
0.66 |
CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]1C=C(C)C(=O)[C@@H](O)[C@]21CO
|
|
| MolPort-039-338-527 |
0.66 |
C[C@H](C[C@H](OC(C)=O)[C@H]1OC1(C)C)[C@]12O[C@H]1C[C@@]1(C)C2=CC(=O)[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C
|
|
| MolPort-044-183-474 |
0.66 |
CCCCC[C@H](O)\C=C\[C@H]1OC(=O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-005-944-498 |
0.66 |
CCCC1OC(=O)C(O)CC\C=C\C(O)C1O
|
|
| MolPort-039-139-020 |
0.66 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OCC(O)CO
|
|
| MolPort-044-649-750 |
0.66 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)[C@](C)(COC(C)=O)C=C5COC(C)=O)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-027-935-414 |
0.66 |
CC1CC(CCC1=O)C(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C
|
|
| MolPort-035-706-331 |
0.66 |
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C
|
|
| MolPort-035-706-334 |
0.66 |
COC(C)(C)\C=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C
|
|
| MolPort-046-690-008 |
0.66 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](OC(C)=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-525-199 |
0.66 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)[C@@H]3CCC2=C1
|
|
| MCULE-7503740182 |
0.66 |
C(=O)(OC1CC(C)CCC1C(C)C)C1CCC(C(=O)OC2CC(C)CCC2C(C)C)CC=1
|
|
| MCULE-3991113418 |
0.66 |
O1C(CCC)C(O)C(O)C=CCCC(O)C1=O
|
|
| MCULE-7772391429 |
0.66 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]12CCC(=O)O1
|
|
| MCULE-3752800864 |
0.66 |
CC1C(=O)CCC(C(OCC2[C@H]3C(C)(C)[C@H](C3)CC=2)=O)C1
|
|
| MCULE-9035965650 |
0.66 |
C1(C=CCCCCCCCC)CCCCCCC(=O)O1
|
|
| MCULE-4661795097 |
0.66 |
C1C[C@@]2(CC[C@]3(O)[C@@H](C2=C(C)C1)OC(=O)C3=C)C
|
|
| MCULE-7410954618 |
0.66 |
C1CC2=C[C@H]([C@@]3(O[C@@H]3[C@]2(C)[C@H]([C@@H]1O)C)C(=C)C)O
|
|
| MCULE-4969238152 |
0.66 |
C1(C)=CC(C)C2C(C)C1C(C=CC)OC2
|
|
| MCULE-3197876959 |
0.66 |
CC1([C@@]2(OC(C(C)C)=O)[C@@H]1[C@H]1[C@@]([C@@H]([C@H]2OC(/C(=C/C)/C)=O)C)(O)[C@@H]2C=C(C(=O)[C@@]2(O)CC(CO)=C1)C)C
|
|
| MCULE-2195755975 |
0.66 |
C12(O)CC(CO)=CC3C4C(C)(C)C4(OC(=O)C)C(OC(=O)/C(=C/C)/C)C(C)C3(O)C1C=C(C)C2=O
|
|
| MCULE-8780454429 |
0.66 |
[C@]12(O)CC(CO)=C[C@@]3([H])C4C(C)(C)[C@]4(OC(=O)C(C)CC)[C@H](OC(=O)/C(=C/C)/C)[C@@H](C)[C@]3(O)C1C=C(C)C2=O
|
|
| MCULE-7395277343 |
0.66 |
C12(O)CC(CO)=CC3C4C(C)(C)C4(OC(=O)C(C)C)C(OC(=O)/C(=C/C)/C)C(C)C3(O)C1C=C(C)C2=O
|
|
| MCULE-7810213600 |
0.66 |
O1[C@@H]2C[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]3(C(C=C[C@@H]([C@]132)O)=O)C
|
|
| MCULE-1111304263 |
0.66 |
C1CC(C)(C)C2C(C)(C1O)C1(C(COC1O)=CC2OC(CCCCC)=O)O
|
|
| MCULE-2686998361 |
0.66 |
C1C(=O)[C@]2(C)C3C(C[C@H]4O[C@]42[C@@H](O)C=1)[C@]1([H])CCC([C@H](C)C2CC(C)=C(CO)C(=O)O2)[C@@]1(C)CC3
|
|
| MCULE-7624822737 |
0.66 |
[C@@H]1(O)C[C@@]2(C3(C(=C[C@H]([C@]2(C(C)(C)C1)[H])O)COC3=O)O)C
|
|
| MCULE-5967543500 |
0.66 |
C1CC2(C3(O)C(=CC(O)C2C(C)(C)C1O)COC3=O)C
|
|
| MCULE-8052397157 |
0.66 |
C1C[C@@]2(C3(C(=C[C@H]([C@@]2([H])C(C)(C)C1)O)COC3=O)O)C
|
|
| MCULE-2307191320 |
0.66 |
O1C2C3C(C1C(O)CC3C(O)C=C2)C(OC(C)C)=O
|
|
| MolPort-046-762-296 |
0.66 |
OC1CC(=CC(O)C1O)C(=O)OC1C=C(CC(O)C1O)C(O)=O
|
|
| MolPort-009-194-219 |
0.66 |
O.O.[Ca++].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O.C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O
|
|
| MolPort-039-338-709 |
0.66 |
C[C@@H]1C[C@H](O[C@H]2C[C@@]3(C)C(C=C[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)=C12)[C@@H](OC(C)=O)C(C)(C)O
|
|
| MolPort-046-760-618 |
0.66 |
[Li+].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O
|
|
| MolPort-001-742-309 |
0.66 |
CC1=C2[C@H]3OC(=O)C(=C)[C@]3(O)CC[C@@]2(C)CCC1
|
|
| MolPort-046-509-050 |
0.66 |
C\C=C(/C)C(=O)O[C@H]1[C@H](O)[C@]2(CO)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2CC1(C)C
|
|
| MolPort-001-740-022 |
0.66 |
C[C@H]1[C@H](O)CCC2=C[C@@H](O)[C@@]3(O[C@@H]3[C@]12C)C(C)=C
|
|
| MolPort-000-736-396 |
0.66 |
C1CCC2(C1)OC1CCCCC1C1=CCCCC21.C1CCC2(C1)OC1CCCCC1=C1CCCCC21
|
|
| MolPort-002-508-532 |
0.66 |
C\C=C\C1OC[C@H]2C(C)C=C(C)[C@@H]1C2C
|
|
| MolPort-001-937-574 |
0.66 |
C\C=C\C1OCC2C(C)C=C(C)C1C2C
|
|
| MolPort-021-804-671 |
0.66 |
CCC(C)C(=O)O[C@]12C([C@@H]3C=C(CO)C[C@@]4(O)C(C=C(C)C4=O)[C@@]3(O)[C@H](C)[C@H]1OC(=O)C(\C)=C\C)C2(C)C
|
|
| MolPort-021-804-675 |
0.66 |
C\C=C(/C)C(=O)OC1C(C)C2(O)C3C=C(C)C(=O)C3(O)CC(CO)=CC2C2C(C)(C)C12OC(=O)C(C)C
|
|
| MolPort-021-804-672 |
0.66 |
C\C=C(/C)C(=O)OC1C(C)C2(O)C3C=C(C)C(=O)C3(O)CC(CO)=CC2C2C(C)(C)C12OC(C)=O
|
|
| MolPort-039-339-229 |
0.66 |
C\C=C(/C)C(=O)O[C@@H]1[C@@H](C)[C@]2(O)C3C=C(C)C(=O)[C@@]3(O)CC(CO)=CC2[C@@H]2C(C)(C)[C@]12OC(=O)C(C)C
|
|
| MolPort-005-944-536 |
0.66 |
CCCCCC(=O)OC1C=C2COC(O)C2(O)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-001-742-261 |
0.66 |
C[C@@H](C1CC[C@H]2C3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)C3CC[C@]12C)C1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-006-822-486 |
0.66 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-023-276-585 |
0.66 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)C3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-001-739-764 |
0.66 |
CC1(C)C(O)CCC2(C)C1C(O)C=C1COC(=O)C21O
|
|
| MolPort-005-944-113 |
0.66 |
CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1[C@H](O)C=C1COC(=O)[C@]21O
|
|
| MolPort-001-739-435 |
0.66 |
CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C1COC(=O)[C@]21O
|
|
| MolPort-020-014-256 |
0.66 |
CCC(CC)O[C@@H]1C=C(C[C@@H]2O[C@H]12)C(=O)OC
|
|
| MolPort-002-799-481 |
0.65 |
CC1(C)CCC[C@]2(C)C=C(C3OCCO3)C(=O)C[C@@H]12
|
|
| MolPort-044-723-187 |
0.65 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3[C@H]1C
|
|
| MolPort-001-740-719 |
0.65 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=CC2[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]42C)C3[C@H]1C
|
|
| MolPort-039-338-173 |
0.65 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=CC2[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]42C)C3[C@H]1C
|
|
| MolPort-003-959-064 |
0.65 |
C[C@H]1C[C@@H](O[C@@]11CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12)C=C(C)C
|
|
| MolPort-044-723-188 |
0.65 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3[C@H]1C
|
|
| MolPort-027-640-927 |
0.65 |
CCCCC[C@H](O)\C=C\[C@H]1C2COC(C2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-027-640-928 |
0.65 |
CCCCC[C@H](O)\C=C\[C@H]1C2COC(C2)[C@@H]1C\C=C\CCCC(O)=O
|
|
| MolPort-001-740-033 |
0.65 |
C\C=C(/C)C(=O)OC1CCC(=O)OC1\C=C\C(O)C(C)O
|
|
| MolPort-046-690-855 |
0.65 |
[Na+].C[C@H](O)[C@H](C)[C@H]1O[C@@H]2[C@H](CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@@H]2O)C[C@@H]1O
|
|
| MolPort-039-052-399 |
0.65 |
CC(C)C(\C)=C\C(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)CC3=CC[C@@]2(O)[C@@]2(O)CC[C@@](O)(C(C)=O)[C@@]12C
|
|
| MolPort-044-559-309 |
0.65 |
CCOC(=O)C1=CCCC2(C1)OCCO2
|
|
| MolPort-001-739-822 |
0.65 |
C[C@@H]1OCC2=C([C@@H](O)[C@@H]3O[C@]3(CC=C(C)C)[C@H]2O)[C@H]1O
|
|
| MCULE-6797419887 |
0.65 |
C12(CCC3(C)CC4C(O)(C)CC(=O)C4C(C=O)=CCC13)C(C)CC(/C=C(\C)/C)O2
|
|
| MCULE-5522120199 |
0.65 |
C1(O)(CC2C=CC(O2)C1)CC(O)=O
|
|
| MCULE-7140625389 |
0.65 |
C1(O)(CC2C=CC(O2)C1)C(C)C(O)=O
|
|
| MCULE-8081626398 |
0.65 |
C1(OC(/C=C/C(O)C(C)O)C(CC1)OC(=O)/C(/C)=C/C)=O
|
|
| MCULE-6266062726 |
0.65 |
C1=CC2CC1C13OC12C1CC3C=C1C(OC)=O
|
|
| MCULE-2222797068 |
0.65 |
C1C[C@]2(C)[C@@]3([H])C[C@@H](OC(=O)/C=C(/C(C)C)\C)[C@]4(C)[C@](O)(C(C)=O)CC[C@]4(O)[C@]3(O)CC=C2C[C@H]1O
|
|
| MCULE-2724365529 |
0.65 |
[C@]12(C)[C@H](OC(=O)/C=C(\C)/C(C)C)C[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3(O)[C@@]1(O)CC[C@]2(O)C(C)=O
|
|
| MCULE-5390730136 |
0.65 |
O1C2(CCC=C(C(OCC)=O)C2)OCC1
|
|
| MCULE-6937259697 |
0.65 |
O1CC2[C@H](O)[C@@]3(C/C=C(\C)/C)O[C@H]3[C@@H](C=2[C@H]([C@@H]1C)O)O
|
|
| MCULE-3918182667 |
0.65 |
C12OC1CC(C(=O)OCC)=CC2OC(CC)CC
|
|
| MCULE-3133855253 |
0.65 |
C1CC2(C)C3(O)C(=O)OCC3=CC(O)C2C(C)(C)C1=O
|
|
| MCULE-8228471643 |
0.65 |
O1[C@@H]2[C@H]1[C@H](OC(CC)CC)C=C(C(OCC)=O)C2
|
|
| MCULE-1204106358 |
0.65 |
COC(=O)CCCCCCC/C=C\CC(C(O)/C=C\C(O)CC)O
|
|
| MCULE-7317277088 |
0.65 |
[C@@]12(OC(=O)C)CO[C@]1([H])C[C@H](O)[C@@]1(C)[C@@H](O)[C@H](OC(=O)C)C3=C(C)[C@@H](OC(=O)C)C[C@@](O)(C3(C)C)C[C@]21[H]
|
|
| MCULE-3995023146 |
0.65 |
[C@@]12(OC(=O)C)CO[C@]1([H])C[C@H](O)[C@@]1(C)[C@@H](O)[C@H](OC(=O)C)C3=C(C)[C@@H](OC(=O)C)C[C@@](O)(C3(C)C)C[C@]21[H]
|
|
| MCULE-6250100613 |
0.65 |
C1(C)CC2CCC3OC(=O)C(C23O)=C1
|
|
| MCULE-9798073540 |
0.65 |
O1C(C2[C@]3([C@@](CC[C@@]13[H])([H])C[C@H](C)C=2)O)=O
|
|
| MCULE-1564688046 |
0.65 |
O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1/C=C/[C@@H](O)CCCCC
|
|
| MCULE-9891857644 |
0.65 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC3C21O3
|
|
| MCULE-1305866944 |
0.65 |
O1C2C(C3CCCC=3C1=O)CCCC2
|
|
| MCULE-1623071973 |
0.65 |
C(O[C@@H]1[C@@]2(O)[C@H](O)C(CO)=C[C@]3([H])C(=O)[C@]2(C=C1C)[C@H](C)C[C@@]1([H])C(C)(C)[C@]13[H])(=O)/C(/C)=C\C
|
|
| MCULE-3207353819 |
0.65 |
C/C=C(\C(=O)O[C@@H]1[C@]2([C@@H](C(=CC3[C@]4(C(C)(C)C4C[C@@H](C)C2(C3=O)C=C1C)[H])CO)O)O)/C
|
|
| MCULE-6295390344 |
0.65 |
CC=C(C(=O)O[C@@H]1[C@]2([C@@H](C(=C[C@]3([C@@]4(C(C)(C)[C@@]4(C[C@@H](C)[C@]2(C3=O)C=C1C)[H])[H])[H])CO)O)O)C
|
|
| MCULE-5708210639 |
0.65 |
C1C23COC(C2)C(C(O)=O)(O)CCC3C(C(O)(C)C)=C1
|
|
| MCULE-8747453775 |
0.65 |
C1CC2(C)C3(O)C(=O)OCC3=CC(OC(CCC(=O)O)=O)C2C(C)(C)C1
|
|
| MolPort-035-705-926 |
0.65 |
CC1(C)CCC[C@]2(C)[C@@H](C\C=C3/CCOC3=O)[C@]3(CO3)CC[C@@H]12
|
|
| MolPort-044-545-969 |
0.65 |
C[C@H]1[C@@H]2CCC(C)=C[C@@H]2OC1=O
|
|
| MolPort-039-338-780 |
0.65 |
COC(C)(C)\C=C\C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
|
|
| MolPort-039-338-778 |
0.65 |
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
|
|
| MolPort-005-944-728 |
0.65 |
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C4C(CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
|
|
| MolPort-046-765-219 |
0.65 |
CCOC(=O)C1=C[C@H](OC(CC)CC)[C@@H]2O[C@@H]2C1
|
|
| MolPort-005-942-516 |
0.65 |
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H]2O[C@@H]2C1
|
|
| MolPort-023-220-504 |
0.65 |
CCOC(=O)C1=CC(OC(CC)CC)C2OC2C1
|
|
| MolPort-029-943-092 |
0.65 |
CC1(C)C2C(O)C=C3COC(=O)C3(O)C2(C)CCC1=O
|
|
| MolPort-002-911-128 |
0.65 |
CC12CCC3C(CCC4=CC5(CCC34C)OCCO5)C1CCC2O
|
|
| MolPort-005-940-267 |
0.65 |
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H]2O[C@H]2C1
|
|
| MolPort-044-561-262 |
0.65 |
C[C@H]1C[C@H]2CC[C@H]3OC(=O)C(=C1)[C@@]23O
|
|
| MolPort-046-790-373 |
0.65 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-046-697-405 |
0.65 |
CCC\C=C\C1OCC2=C(C(O)C(O)C3(O)CC(OC23)C(C)(C)O)C1O
|
|
| MolPort-035-706-335 |
0.65 |
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C
|
|
| MolPort-009-018-249 |
0.65 |
CCCCCC(O)\C=C\[C@H]1C(O)CC(=O)C1C\C=C/CCCC(=O)OCC(O)CO
|
|
| MolPort-046-792-816 |
0.65 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC(O)C(C)(C)O)C(O)=O
|
|
| MolPort-003-941-761 |
0.65 |
C\C=C(\C)C(=O)O[C@H]1C(C)=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@@H](O)[C@]12O)C3=O)C4(C)C
|
|
| MolPort-046-153-803 |
0.65 |
C\C=C(\C)C(=O)O[C@H]1C(C)=CC23[C@H](C)C[C@@H]4[C@H](C(C=C(CO)[C@@H](O)[C@]12O)C3=O)C4(C)C
|
|
| MolPort-001-739-620 |
0.65 |
CC(C)(O)C1=CCC23COC(C2)C(O)(CCC13)C(O)=O
|
|
| MolPort-046-790-496 |
0.65 |
C[C@H](C\C=C\C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
|
|
| MolPort-042-675-285 |
0.65 |
CC1(C)CCCC2(C)C1C(OC(=O)CCC(O)=O)C=C1COC(=O)C21O
|
|
| MolPort-046-790-499 |
0.65 |
C[C@H](CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
|
|
| MolPort-046-689-861 |
0.64 |
[Na+].C[C@H](O)[C@H](C)C(O)[C@@H]1C[C@H]2CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]2O1
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|
| MolPort-002-800-183 |
0.64 |
CCOC12CC(C)(C)CC(C)(CC3=C1C(=O)CC(C)(C)C3)C2
|
|
| MolPort-005-944-308 |
0.64 |
C\C=C\C(=O)OC1\C=C\C(OC(C)=O)C(O)CCC(=O)OC1C
|
|
| MolPort-046-690-853 |
0.64 |
[Na+].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCC\C=C\CCC([O-])=O)[C@H](O)[C@@H]1O
|
|
| MolPort-002-509-166 |
0.64 |
C1CCC2(C1)OC1CCCCC1C1=C2CCCC1
|
|
| MolPort-039-338-712 |
0.64 |
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
|
|
| MolPort-046-158-543 |
0.64 |
CC1(C)CCC[C@]2(C)[C@H]3COC(=O)C3=CC[C@@H]12
|
|
| MolPort-027-853-677 |
0.64 |
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)(C33CO3)[C@@]2(CO)C[C@@H]1O
|
|
| MolPort-004-964-842 |
0.64 |
CCCCC1OC(=O)C2=CCCCC12
|
|
| MolPort-044-561-714 |
0.64 |
CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]33CO3)[C@@]2(CO)C[C@@H]1O
|
|
| MolPort-001-739-749 |
0.64 |
CC1=CCC2C(C)(C)CCCC2(C)C1CC12OC1C(O)C(CO)=CC2O
|
|
| MolPort-046-697-223 |
0.64 |
CC1=CCC2C(C)(C)C(O)CCC2(C)C1CC12OC1C(O)C(CO)=CC2O
|
|
| MolPort-002-466-536 |
0.64 |
CC1(C)C2CC1C(COCC1CO1)=CC2
|
|
| MolPort-044-562-012 |
0.64 |
CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
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|
| MolPort-019-939-222 |
0.64 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-039-052-375 |
0.64 |
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-003-931-083 |
0.64 |
CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-027-640-913 |
0.64 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
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|
| MolPort-001-740-957 |
0.64 |
CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2COC(C)=O)CC(O)=O
|
|
| MolPort-023-274-363 |
0.64 |
CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)\C=C\C1(O)C2(C)COC1(C)CC(=O)C2
|
|
| MolPort-027-640-929 |
0.64 |
CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1C\C=C\CCCC(O)=O
|
|
| MCULE-7068002290 |
0.64 |
C1(O)(CC2C=CC(O2)C1)C(C)C(OC)=O
|
|
| MCULE-9530340790 |
0.64 |
C12C(=O)CC(CC=1CC1(CC2(OCC)CC(C1)(C)C)C)(C)C
|
|
| MCULE-6921575032 |
0.64 |
C1(O)(CC2C=CC(O2)C1)CC(OC)=O
|
|
| MCULE-5417027317 |
0.64 |
O(C1C(O)CCC(=O)OC(C)C(OC(=O)/C=C/C)C=C1)C(C)=O
|
|
| MCULE-6440147345 |
0.64 |
O1C(C2=CCCCC2C1CCCC)=O
|
|
| MCULE-4503498041 |
0.64 |
C1(C)=C[C@@]2([H])O[C@]3([H])[C@H](O)[C@@H](O)[C@@](C)(C43OC4)[C@@]2(CO)C[C@@H]1O
|
|
| MCULE-5985682586 |
0.64 |
C1C(O)C(C)(C)C2C(C(CC34OC3C(O)C(CO)=CC4O)C(=CC2)C)(C1)C
|
|
| MCULE-2591222806 |
0.64 |
C1CC(C)(C)C2C(C(CC34OC3C(O)C(CO)=CC4O)C(=CC2)C)(C1)C
|
|
| MCULE-3998827933 |
0.64 |
C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(COC(=O)C)=C1)C
|
|
| MCULE-4109749655 |
0.64 |
CC1(C2C(COCC3OC3)=CCC1C2)C
|
|
| MCULE-9978018071 |
0.64 |
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-4320007788 |
0.64 |
C1[C@H]2C[C@H]([C@H](C=C[C@@H](O)CCCCC)[C@H]2CC=CCCCC(O)=O)O1
|
|
| MCULE-8148848775 |
0.64 |
C1C2(COC(C2(O)/C=C/C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C)(CC1=O)C)C
|
|
| MCULE-7286590115 |
0.64 |
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-5873294860 |
0.64 |
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-4124934247 |
0.64 |
[C@@]12([H])[C@@H](OC(=O)[C@H]1CO)C=C(CO)[C@@]2([H])CO
|
|
| MCULE-9875985617 |
0.64 |
C[C@@]12[C@]3(COC(=O)C)[C@](C=C(CC3)C)([H])O[C@@H]([C@@]31OC3)[C@H](O)C2O
|
|
| MCULE-9182352754 |
0.64 |
C1C2OC2C=CC(C(C)(C)C(=O)OC1CC(CCC)O)O
|
|
| MCULE-7792538419 |
0.64 |
CC=C(C(=O)O[C@@H]1[C@]2([C@@H](C(=C[C@]3([C@@]4(C(C)(C)[C@@]4(C[C@@H](C)[C@]2(C3=O)C=C1C)[H])[H])[H])COC(=O)C)O)O)C
|
|
| MCULE-6137852908 |
0.64 |
C(O[C@@H]1[C@@]2(O)[C@H](O)C(COC(C)=O)=C[C@]3([H])C(=O)[C@]2(C=C1C)[C@H](C)C[C@@]1([H])C(C)(C)[C@]13[H])(=O)/C(/C)=C\C
|
|
| MCULE-1363593102 |
0.64 |
C(C)(=O)OC1CCC2(C)C3(C1)C(C=C1C4CCC(C(C)C=CC(C)C(C)C)C4(C)CCC12[H])O3
|
|
| MCULE-8031207513 |
0.64 |
C12(C)CCC3C(CC=C4CC(OC(C)=O)CCC43C)C1CC=C2C1(C)OCCO1
|
|
| MCULE-8917149750 |
0.64 |
CC1(C2(OC(C)CC2)C(C)=CCC1)C
|
|
| MCULE-5092150576 |
0.64 |
OC1C(OC(=O)C)CCC(OC(C)C(C=C1)OC(=O)/C=C/C)=O
|
|
| MCULE-9966949324 |
0.64 |
[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-7803701147 |
0.64 |
C1C2C3C4C(=O)OC(C=CC23)C4C=1
|
|
| MCULE-9196010352 |
0.64 |
C[C@@]12[C@]3(CO)[C@](C=C([C@H](C3)OC(=O)CC(C)C)C)([H])O[C@@H]([C@@]31OC3)[C@H](O)[C@H]2O
|
|
| MCULE-2972497233 |
0.64 |
C1CC2(C)C3C(=O)CC4(C)C(C5(CO)OC(=O)CC5)CC(O)C4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MCULE-7768501355 |
0.64 |
C1=CC2C3C(C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-5823109002 |
0.64 |
C1=CC2C3C=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-6962333105 |
0.64 |
CCC1OCC(C2CCCCC=2)(O)C1
|
|
| MCULE-6470229591 |
0.64 |
CC1C(C2CCCCCC=2)(O)COC1
|
|
| MolPort-035-706-023 |
0.64 |
OC[C@H]1[C@H]2[C@@H](OC1=O)C=C(CO)[C@H]2CO
|
|
| MolPort-003-940-331 |
0.64 |
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)C2(C)C11CO1
|
|
| MolPort-046-703-111 |
0.64 |
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)[C@]11CO1
|
|
| MolPort-044-561-107 |
0.64 |
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]11CO1
|
|
| MolPort-046-697-346 |
0.64 |
CCCC(O)CC1CC2OC2\C=C\C(O)C(C)(C)C(=O)O1
|
|
| MolPort-046-418-665 |
0.64 |
C\C=C(\C)C(=O)O[C@H]1C(C)=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(COC(C)=O)[C@@H](O)[C@]12O)C3=O)C4(C)C
|
|
| MolPort-003-939-581 |
0.64 |
CC1CCC2(O1)C(C)=CCCC2(C)C
|
|
| MolPort-005-944-309 |
0.64 |
C\C=C\C(=O)OC1\C=C\C(O)C(CCC(=O)OC1C)OC(C)=O
|
|
| MolPort-039-338-641 |
0.64 |
C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O
|
|
| MolPort-035-706-205 |
0.64 |
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-044-561-715 |
0.64 |
CC(C)CC(=O)O[C@H]1C[C@@]2(CO)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@]2(C)[C@]32CO2)C=C1C
|
|
| MolPort-035-691-408 |
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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-019-931-744 |
0.63 |
CCCC(O)CC1CC(O)\C=C\C(O)C(O)C(C)(C)C(=O)O1
|
|
| MolPort-039-139-010 |
0.63 |
CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-046-697-410 |
0.63 |
CC(C)(O)C1CC2(O)C(O1)C(CO)=C(\C=C\C=C\CCC(O)=O)C(O)C2O
|
|
| MolPort-046-697-193 |
0.63 |
CC(=O)OC1CC2=C(COC2=O)C2(C)CCCC3(COC3=O)C12
|
|
| MolPort-044-561-713 |
0.63 |
CC(C)CC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@]2(C)[C@]32CO2)C=C1C
|
|
| MolPort-023-331-412 |
0.63 |
CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H]5C[C@@H]5C4=O)[C@@H]3[C@@H](O)C=C2C1
|
|
| MolPort-027-853-654 |
0.63 |
CC(O)\C=C\C1(O)C2(C)COC1(C)CC(O)C2
|
|
| MolPort-039-338-433 |
0.63 |
C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC=C2C(O)=O)[C@@]1(C)CCC1=CCOC1=O
|
|
| MolPort-008-268-188 |
0.63 |
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]11CO1
|
|
| MolPort-046-153-174 |
0.63 |
COCC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2O
|
|
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0.63 |
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]11CO1
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CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC
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CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
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CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C\C=C/CCCC(=O)OC(C)C
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CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
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0.63 |
C1(C(O)C(O)C2(O)CC(C(O)(C)C)OC2C=1CO)/C=C/C=C/CCC(=O)O
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C1C(OC(=O)C(C)(C)C(C(O)C=CC1O)O)CC(CCC)O
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O=C1CCC2(C)C3C(CC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O)OC(C)=O
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CC1OCC(=CC(C)=O)CC1
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O(C(C)=O)C1CC2C(=O)OCC=2C2(C)C1C1(COC1=O)CCC2
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C1CC2CC1C13C4C(C(OC)=O)=C(C(OC)=O)C(C54CC5)C21O3
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C1C2(C)COC(C)(C2(O)/C=C/C(C)O)CC1O
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C1C[C@]2([H])[C@@](C)(CCC3=CCOC3=O)[C@H](C)C[C@H](O)[C@@]2(C)C(C(=O)O)=C1
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O=C1C2CC=C3CC4(CCC3(C)C2C(O)CC1)OCCO4
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O1C[C@@]21[C@@]1([H])[C@H](O)[C@@H](OC(=O)C)[C@]2(C)[C@]2(COC(C)=O)[C@]([H])(O1)C=C(C)CC2
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C[C@@]12[C@]3(COC(=O)C)[C@](C=C(CC3)C)([H])O[C@@H]([C@@]31OC3)[C@H](O)[C@H]2OC(=O)C
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C1C=C(C)CC(O)C2C(COC)C(=O)OC2C=C(C)C1
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C(C)(=O)OC1CCC2(C)C(O)(C1)C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])OC(C)=O
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O1CCOC21C=CCCCC2
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CC1OCC(C2CCCCC=2)(O)CC1
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CC(C=C1CC(C2CC2)OC1)O
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C1(OC(=O)CC(C)(O)CC(=O)O)CC2(C)C3CC(O)C4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3CCC2C(C)(C)C1O
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C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
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O(C(C)=O)C12C(C)(C)C1C1C(O)(C(C)C2O)C2C=C(C)C(C2CC(CO)=C1)=O
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O1C(C2C=CCC3C2C1C=CC3O)=O
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C[C@@H](C1=C2C[C@@H]([C@H]3[C@]4(CCC(C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)=O)C)O)C[C@@H]([C@H](C(OC)(C)C)O)O
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[H][C@@]12CCC(C)=CCCC(C)=C[C@@]1([H])OC(=O)C2
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O=C(C1CCCCCC=1)OC1COCC1
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[C@@]12([H])OC(=O)[C@@H]([C@@]1([H])CC=C(CCO)[C@@H](C)C2)C
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[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](O)([C@@H]5OC(=O)[C@@H](C)[C@@]([H])([C@H](O)C)C5)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
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C1(=O)O[C@H](C)CCCC=C[C@@]2([H])CC(=O)C[C@]2([H])[C@@H](O)C=C1
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O=C1OC[C@H](O)[C@@H](C[C@H]([C@](C)(O)[C@@H]2[C@]3(C)C(C4[C@@](CC3)([H])[C@]3(C)[C@](C[C@H]([C@H](C3)O)O)([H])C(=O)C=4)(O)CC2)O)[C@@H]1C
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C12C(CC=C(C(OC)=O)C1)O2
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C[C@@H]1C(=O)OC[C@H](O)[C@H]1C[C@H]([C@@]([C@@H]1[C@]2(C)[C@@](C3[C@@](CC2)([H])[C@]2(C)[C@](C[C@H]([C@H](C2)O)O)([H])C(=O)C=3)(O)CC1)(O)C)O
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[C@@]12(CO)C(=O)C[C@]3(C)C([C@H](O)C[C@@]3(C)C1CC=C1C(C)(C)[C@@H](CCC21)O)C(O)(C)C(=O)C=CC(C)(C)OC(=O)C
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CC1C(=O)OC(C(O)(C2C3(C)CCC4C5(C)CC(O)C(O)CC5C(=O)C=C4C3(O)CC2)C)CC1C(O)C
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C1(=O)O[C@H]2[C@@H](CCC(=C)[C@@H](CCC(C)=C2)O)C1=C
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| MCULE-8133468470 |
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C1CC2(C)C3COC(=O)C=3C(OC)C(O)C2C(C)(C)C1
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C\C=C(\C)C(=O)OCC(CCO)CCC1(C)C(C)CCC2(CO)C1CCC=C2COC(=O)CCC(O)=O
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COC(C)CC(=O)C1=C(C)C(CCC1(C)C)OC(C)=O
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CC1C(O)C2(OC(C)=O)C(C3C=C(CO)CC4C(C=C(C)C4=O)C13O)C2(C)C
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CCCCCCCCCCC[C@@H]1CC=C(CCCCCC)C(=O)O1
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CC1C(O)C=C2C(C)C1(C)CC\C(C)=C\CCC1(C)OC1C2=O
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CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3
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CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CCC4=O)C3[C@@H](O)C=C2C1
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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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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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COC(C)(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
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O=C(OC1CCOC1)C1=CCCCCC1
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CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@H]2OC1=O
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COC1C(O)C2C(C)(C)CCCC2(C)C2=C1C(=O)OC2
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C=CC1OC2CCCCC2C2=C1CCCC2
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CC(C)CC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@H](OC3[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]32CO2)C=C1C
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CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(CC[C@@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C
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C1C[C@H]2O[C@H]2[C@@]2(C1)COCC=CC2
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C[C@H]1[C@H](C[C@@H](O)[C@](C)(O)[C@H]2CCC3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]23C)[C@@H](O)COC1=O
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CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@@H]2OC1=O
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C1C[C@@H]2OC2[C@@]2(C1)COCC=CC2
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C[C@@H](O)[C@H]1C[C@@H](OC(=O)[C@H]1C)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
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C[C@@H]1[C@H]2CC=C(CCO)[C@@H](C)C[C@@H]2OC1=O
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C[C@@H]1CCC\C=C\[C@H]2CC(=O)C[C@@H]2[C@@H](O)\C=C\C(=O)O1
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CC(C)CC(=O)O[C@H]1C[C@@]2(COC(C)=O)[C@H](O[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]32CO2)C=C1C
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CC(C)CC(=O)O[C@H]1C[C@@]2(COC(C)=O)C(OC3C(O)C(OC(C)=O)[C@@]2(C)C32CO2)C=C1C
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CC1OC(=O)C2C3(C)C(CC4C(C)(C=CC(=O)OC4(C)C)C3CC(=C)C2(C)C1=O)OC(C)=O
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COC(=O)C1(O)C2=C(C(O)C(=O)C1(C)O)C(=O)C(C)CC(C)C\C(C)=C\C(C)CCC1OC2C(C)C(O)C1C
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CCCC(O)C(O)\C=C\C1=C(CO)C2OC(CC2(O)CC1O)C(C)(C)O
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CC1(C)CCCC2(C)C1C(OC(=O)C(O)=O)C=C1COC(=O)C21O
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C[C@H](O)[C@@H](C)C(=O)O[C@H]1CC(C)=C2[C@H](C[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@H]3[C@H](OC(C)=O)[C@H]1C2(C)C)OC(C)=O
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CCCC(O)C(O)\C=C\C1=C(CO)C2OC(CC2(O)C(O)C1O)C(C)(C)O
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C[C@@H]1C2C(=O)O[C@@H]3[C@H](O)C4C(C)=CC(=O)[C@@H](O)[C@]4(C)C([C@H](O)[C@@H]1O)[C@]23C
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C\C=C\C1OCC2(CO)C(C)C=C(C)C1[C@@H]2C
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CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O
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CC=CC1OCC2(CO)C(C)C=C(C)C1C2C
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CC1=C(COC2OC(CO)C(O)C(O)C2O)C(CC1)C(CO)C(O)=O
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CC(C)C1CCC2(O)COC(=O)C2C1\C=C(/CO)C(=O)OCC1(O)CCC(C(C)C)C2C=C(COC(=O)C12)C(O)=O
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CC(O)C\C=C\C=C\C1=C(CO)C2OC(CC2(O)CC1=O)C(C)(C)O
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C[C@H](C\C=C\C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
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C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3[C@H]4[C@H]5C=C(C)[C@@]6([C@H]7OC(=O)[C@@H](C)[C@@H]7CC[C@](C)(O)[C@H]56)[C@H]4C(C)=C3[C@H]2OC1=O
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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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CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCC(CC(O)=O)OC
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CC1(C)CCCC2(C)C1C(OC(=O)\C=C\C(O)=O)C=C1COC(=O)C21O
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C\C=C(\C)C(=O)OC1C\C(C)=C\CCC2(CO)OC2C2OC(=O)C(=C)C12
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C\C1=C\CCC2(C)OC2C2OC(=O)C(=C)C2CC1
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C\C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
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CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](O)[C@@]3(O)[C@H](O)C(CO)=C[C@@H]([C@@H]1C2(C)C)C4=O
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CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
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CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
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C\C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
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0.62 |
C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
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|
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C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
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O=C1OC2CC1CC=C2
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C\C(CO)=C1\CCC23COC(C2)C(O)(CCC13)C(O)=O
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C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]3CC(C)=C[C@@]4(O[C@H](CC(C)(O)C(O)=O)CC[C@H]4O)O3)O[C@H]2[C@H](O)C1=C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C
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CCCC(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2C[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]2OC(=O)[C@@](C)(O)[C@@]12O
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C[C@@H](C[C@H](O)C1OC2CC[C@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@H]3CC(C)=C[C@@]4(OC(C[C@@](C)(O)C(O)=O)CC[C@H]4O)O3)OC2[C@H](O)C1=C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C
|
|
| MCULE-3922449822 |
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O=C1C2CC(C=CC2)O1
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C1(/C2CCC(C(=O)O)(O)C3OCC2(C3)CC/1)=C(/C)\CO
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|
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[C@]12([C@H](O)CC[C@@]([H])(C[C@](O)(C)C(=O)O)O1)C=C(C)C[C@@]([H])([C@H](C)C=C[C@@]1([H])CC[C@@]3(CC[C@@]4([H])O[C@@]([H])(C(=C)[C@@H](O)[C@]4([H])O3)[C@@H](O)C[C@H](C)[C@]3([H])[C@H](C)CC[C@@]4(OCCCC4)O3)O1)O2
|
|
| MCULE-2563254242 |
0.62 |
[H]C1(C=CC(C2(OC3(C=C(C2)C)OC(CC(C)(C(O)=O)O)(CCC3(O)[H])[H])[H])(C)[H])OC2(CC1)OC1(C(C(C(C(CC(C3(OC4(CCC3(C)[H])OCCCC4)[H])(C)[H])(O)[H])(OC1(CC2)[H])[H])=C)(O)[H])[H]
|
|
| MCULE-9218334587 |
0.62 |
O1[C@]([H])([C@H](C[C@H](C)[C@]2([H])[C@H](C)CC[C@@]3(OCCCC3)O2)O)C(=C)[C@@H](O)[C@]2([H])O[C@@]3(O[C@](C=C[C@H]([C@@]4([H])O[C@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)C=C(C)C4)C)([H])CC3)CC[C@@]12[H]
|
|
| MCULE-5549887798 |
0.62 |
C12C(CCC3([H])C[C@H](O)CC[C@]13C)C1CCC(C(C)CCC(OC)=O)[C@]1([C@@H](OC)C=2)C
|
|
| MCULE-1695863761 |
0.62 |
C12C(CCC3([H])CC(O)CCC13C)C1CCC(C(C)CCC(OC)=O)C1(C(OC)C=2)C
|
|
| MCULE-4960112087 |
0.62 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@@H](C1)[C@@H](O)C[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-9798772296 |
0.62 |
O=C(C1CCCCC=1)OC1CCC2(OCCO2)CC1
|
|
| MCULE-7141669330 |
0.62 |
C1=C[C@]2(O)CCO[C@]2([H])CC1=O
|
|
| MCULE-5137269050 |
0.62 |
C1(C(O)=O)C2(OCC)CCC(C=C2)(OCC)C1C(O)=O
|
|
| MCULE-8897168578 |
0.62 |
CC(C=C1CC(C2CC2)OC1)=O
|
|
| MCULE-3654721932 |
0.62 |
C12C3C4C5C1C(C1C5C(C4CC3=CC(OCC)=O)CC1=CC(=O)OCC)C1OC21
|
|
| MCULE-9654942913 |
0.62 |
C12(CO1)[C@@]1([H])[C@@H]([C@@H](OC(C)=O)[C@]2(C)[C@@]2([C@@]([H])(C=C([C@@H](O)C2)C)O1)COC(C)=O)O
|
|
| MCULE-4414439934 |
0.62 |
C[C@]12CC[C@@]3([H])[C@](CC[C@@]45[C@]3(C)CC(C#N)=C(O)[C@]4([H])O5)([H])[C@]1([H])CC[C@@H]2O
|
|
| MCULE-4012376252 |
0.62 |
N#CC1C[C@]2(C)[C@@]3([C@](CC[C@]42[C@@](O4)([H])C=1O)([H])[C@]1([H])CC[C@H](O)[C@@]1(C)CC3)[H]
|
|
| MCULE-9171564730 |
0.62 |
[C@@]12(C)[C@H](OC(C)=O)[C@@H](O)[C@@]([H])(O[C@]3([H])C=C(C)[C@@H](O)C[C@]13COC(C)=O)[C@@]12CO1
|
|
| MCULE-8531625687 |
0.62 |
C[C@@]12[C@@H](O)CC[C@H]1[C@@H]1CC[C@]34[C@@](C)([C@H]1CC2)CC(C#N)=C(O)[C@H]3O4
|
|
| MCULE-7675568040 |
0.62 |
C1(=C(C#N)C[C@]2([C@@]3(CC[C@]4([C@@H](CC[C@]4([H])[C@]3(CC[C@@]32[C@]1(O3)[H])[H])O)C)[H])C)O
|
|
| MCULE-9709244279 |
0.62 |
C12C3C(C4OC3CC4)C(O1)C(C(=O)OC)=C2C(=O)OC
|
|
| MCULE-1566350070 |
0.62 |
C1=C(C)C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)C[C@@H]1O
|
|
| MCULE-9034458089 |
0.62 |
C12C3OC(C=C3)C1C1OC2C2C3OC(C(C(=O)OC)=C3C(=O)OC)C12
|
|
| MCULE-5157212193 |
0.62 |
C1=CC(O)CCC21CCOC(C)(CC)C2
|
|
| MCULE-3872989644 |
0.62 |
C1(CCCCC=1)C(OCCCC)C(C)C
|
|
| MCULE-5558502153 |
0.62 |
C1CC(C(=O)OCC2C(=C)C2)=CCC1
|
|
| MCULE-5590913017 |
0.62 |
C1C(C)C2(C)CC(O)C(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MCULE-9514417628 |
0.62 |
C1CC2(C(CC=C(C2CC23OC2C(O)C(=C)C(O)C3O)C)C(C(O)=O)(C)C1)C
|
|
| MCULE-1732150336 |
0.62 |
O1C(=O)C(O)C2CC=CC12
|
|
| MCULE-4090607765 |
0.62 |
C1=C(C(OC)=O)C[C@@H](O)[C@H](O)[C@@H]1O
|
|
| MCULE-9592035402 |
0.62 |
OC1C(O)C=C(CC1O)C(OC)=O
|
|
| MCULE-9913764168 |
0.62 |
C1(=O)[C@H](O)[C@]2([C@]([H])(C=CC2)O1)[H]
|
|
| MCULE-8750855908 |
0.62 |
C1[C@]([H])(C/C=C(\C)/CC2CC(C)C(=O)O2)C(C(O1)=O)=C
|
|
| MCULE-4431617841 |
0.62 |
C1CC2(C)C3CCC4(C)C(C5COC(C(O)(C)C)C(O)C5)CCC4(C)C3=CCC2C(C)(C)C1=O
|
|
| MCULE-4328068845 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=C[C@@H](OC)[C@@]2(O)C[C@H]1O
|
|
| MCULE-4687597526 |
0.62 |
C1C[C@]2(C)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@]4(C)[C@@]([H])(C(C)=O)CC[C@]4(O)C3CC=C2C[C@H]1O
|
|
| MCULE-5470759504 |
0.62 |
C1(OC(=O)CC)C(C)=CCC(C(=C)C)C1
|
|
| MCULE-8988750193 |
0.62 |
C1CC2(C)C3(O)C(=O)OCC3=CC(OC(C(=O)O)=O)C2C(C)(C)C1
|
|
| MCULE-2852293806 |
0.62 |
C12(C)C=CC(=O)OC(C)(C)C1CC(OC(C)=O)C1(C)C3C(=O)OC(C)C(=O)C3(C)C(=C)CC12
|
|
| MCULE-9787656862 |
0.62 |
C1(C(O)CC2(O)CC(C(O)(C)C)OC2C=1CO)/C=C/C(O)C(O)CCC
|
|
| MCULE-9382713000 |
0.62 |
C1(C(O)C(O)C2(O)CC(C(O)(C)C)OC2C=1CO)/C=C/C(O)C(O)CCC
|
|
| MCULE-5922767585 |
0.62 |
C1(=O)C(O)(C)C(C(=O)OC)(O)C2C3C(C)C(O)C(C)C(CCC(C)C=C(C)CC(C)CC(C)C(=O)C=2C1O)O3
|
|
| MCULE-5537477153 |
0.62 |
C1CC(C(C)C)C(C2C1(O)COC2=O)/C=C(\CO)/C(=O)OCC1(O)C2C(=O)OCC(C(O)=O)=CC2C(C(C)C)CC1
|
|
| MCULE-1821865600 |
0.62 |
C(C1=C(C)CCC1C(CO)C(=O)O)OC1C(O)C(O)C(O)C(CO)O1
|
|
| MCULE-2383807113 |
0.62 |
C1[C@@H](C)OC(=O)C[C@@H](O)C=C[C@H]2O[C@@H]12
|
|
| MCULE-6607478643 |
0.62 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@H](O)[C@H](O)[C@H](C)C4C(O[C@@H]([C@]34C)[C@H](O)C2C(C)=C1)=O
|
|
| MCULE-9855248525 |
0.62 |
C12(CO)COC(C(C(C)=CC1C)C2C)C=CC
|
|
| MCULE-7694957039 |
0.62 |
O=C1CCC(OCC2CC=CCC2)CC1
|
|
| MCULE-7762890611 |
0.62 |
CC(C=C1COC(C)CC1)O
|
|
| MCULE-3392078385 |
0.62 |
C1(C(=O)CC2(O)CC(C(O)(C)C)OC2C=1CO)/C=C/C=C/CC(O)C
|
|
| MCULE-5708067201 |
0.62 |
C1[C@@](O)(C)[C@]2([H])[C@@]3([H])[C@H]4C=C(C)[C@@]5([C@H]6OC(=O)[C@@H](C)[C@@H]6CC[C@](C)(O)[C@@]54[H])[C@@]3([H])C(C)=C2[C@H]2OC(=O)[C@@H](C)[C@@H]2C1
|
|
| MCULE-5499634167 |
0.62 |
CC1C(=O)OC2C1CCC(O)(C)C1C2=C(C)C2C1C1C3C(O)(C)CCC4C(C)C(=O)OC4C23C(C)=C1
|
|
| MCULE-4994703608 |
0.62 |
C12C3C(OC(C)(C)C)C4C(C3C(C(=O)OC)=C1C(=O)OC)C24
|
|
| MCULE-1950814728 |
0.62 |
C1[C@@H](O)C2[C@@H](C)[C@@]3([H])OC(=O)C(=C)[C@@]3([H])CC2=C(C)C1
|
|
| MCULE-1941485160 |
0.62 |
CC1C(C)C(C2CCCCC=2)(O)CO1
|
|
| MCULE-5919392305 |
0.62 |
CCC1C(C2CCCCC=2)(O)COC1
|
|
| MCULE-8477763994 |
0.62 |
CC1C(C2CCCCC=2)(O)COC1
|
|
| MCULE-2171938221 |
0.62 |
C1C2(OCCO2)CCC2([H])CC2([H])C=1
|
|
| MCULE-4603475177 |
0.62 |
C1C=C(C)CC(OC(=O)/C(/C)=C\C)C2C(=C)C(=O)OC2C2OC2(CO)C1
|
|
| MCULE-8808813613 |
0.62 |
C1CC2(C)C3(O)C(=O)OCC3=CC(OC(/C=C/C(=O)O)=O)C2C(C)(C)C1
|
|
| MCULE-6512230417 |
0.62 |
[C@]12([H])O[C@]1(C)CCC=C(C)CC[C@@]1([H])C(C(=O)O[C@]21[H])=C
|
|
| MCULE-4774272300 |
0.62 |
[C@@H]12[C@@H]3[C@@H](CCC(=CCC[C@]1(O2)C)C)C(C(=O)O3)=C
|
|
| MCULE-5648274394 |
0.62 |
CC1CCC2C(C(OC2C2OC2(C)CCC=1)=O)=C
|
|
| MCULE-1187896247 |
0.62 |
[C@H]12[C@@H]3[C@@H](CCC(=CCC[C@]1(O2)C)C)C(C(=O)O3)=C
|
|
| MCULE-4236608409 |
0.62 |
C(O[C@]12C(C)(C)[C@@]1([H])[C@@]1([H])C(=O)[C@]3(C=C(C)[C@H](O)[C@@]3(O)[C@H](O)C(CO)=C1)[C@H](C)C2)(=O)CCCCCCCCCCC
|
|
| MCULE-7405855960 |
0.62 |
O=C1C(=C)[C@@]2(CCC(=CCC[C@]3(O[C@]3([H])[C@@]2([H])O1)C)C)[H]
|
|
| MCULE-6443674630 |
0.62 |
C1=CC2C3C(COC(=O)C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-3930398727 |
0.62 |
C1C=C(C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2O[C@@]2(C1)C
|
|
| MolPort-046-761-028 |
0.62 |
CCCCCCCCCCCCCCCC(=O)OCC1=C[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@]4(C=C(C)[C@H](O)[C@@]4(O)[C@@H]1O)C2=O)C3(C)C
|
|
| MolPort-002-509-604 |
0.62 |
CO[C@H]1C=C2C(CCC3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
|
|
| MolPort-044-637-547 |
0.62 |
COC1C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@@]2(C)[C@]2(C)CCC3[C@](C)(CC[C@@H](O)[C@]3(C)C(O)=O)C12
|
|
| MolPort-001-569-826 |
0.62 |
CO[C@H]1C=C2C(CC[C@@H]3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
|
|
| MolPort-038-386-082 |
0.62 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H]([C@@H](O)C[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-039-052-482 |
0.62 |
O[C@@]12CCO[C@@H]1CC(=O)C=C2
|
|
| MolPort-029-924-741 |
0.62 |
O=C(OC1CCC2(CC1)OCCO2)C1=CCCCC1
|
|
| MolPort-016-586-626 |
0.62 |
CCOC12CCC(OCC)(C=C1)C(C2C(O)=O)C(O)=O
|
|
| MolPort-038-387-151 |
0.62 |
C1C[C@@]2(COCC=CC2)C2O[C@@H]12
|
|
| MolPort-046-162-881 |
0.62 |
CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)\C=C\[C@@H]1C
|
|
| MolPort-003-850-727 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C[C@]35C)C#N)[C@@H]1CC[C@@H]2O
|
|
| MolPort-001-739-413 |
0.62 |
CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)C11CO1
|
|
| MolPort-020-005-698 |
0.62 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C)=C\[C@@H](O)C1
|
|
| MolPort-039-144-778 |
0.62 |
CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]11CO1
|
|
| MolPort-039-336-978 |
0.62 |
CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]11CO1
|
|
| MolPort-046-703-392 |
0.62 |
CC(=O)OC[C@]12C[C@H](O)C(C)=CC1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]11CO1
|
|
| MolPort-002-559-417 |
0.62 |
CCCCOC(C(C)C)C1=CCCCC1
|
|
| MolPort-002-510-621 |
0.62 |
CCC1(C)CC2(CCO1)CCC(O)C=C2
|
|
| MolPort-044-183-328 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC(=O)CCC\C=C/C[C@H]12
|
|
| MolPort-005-944-946 |
0.62 |
CC1CC(C\C(C)=C\C[C@H]2COC(=O)C2=C)OC1=O
|
|
| MolPort-046-697-187 |
0.62 |
CC1CC=C2C(C)C1(C)CC(O)\C(C)=C\CCC1(C)OC1C2=O
|
|
| MolPort-046-592-360 |
0.62 |
O[C@@H]1[C@@H]2CC=C[C@@H]2OC1=O
|
|
| MolPort-001-739-965 |
0.62 |
COC(=O)C1=CC(O)C(O)C(O)C1
|
|
| MolPort-001-739-468 |
0.62 |
CC1=CCC2C(C)(CCCC2(C)C(O)=O)C1CC12OC1C(O)C(=C)C(O)C2O
|
|
| MolPort-039-338-274 |
0.62 |
CC(C)CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2C(CC=C3C[C@@H](O)CC[C@]23C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C
|
|
| MolPort-042-675-528 |
0.62 |
CC(C)(O)C1OCC(CC1O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C
|
|
| MolPort-035-706-550 |
0.62 |
CO[C@@H]1C=C2[C@@H]3CC[C@H]([C@H](C)\C=C\[C@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O
|
|
| MolPort-039-141-967 |
0.62 |
CC(C)CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2[C@@H](CC=C3C[C@@H](O)CC[C@]23C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C
|
|
| MolPort-035-706-431 |
0.62 |
CC(C)(O)[C@@H]1OC[C@@H](C[C@H]1O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
|
|
| MolPort-039-101-193 |
0.61 |
C\C(=C/CO)C(=O)O[C@@H]1C\C(C)=C\CC[C@@]2(C)OC2[C@H]2OC(=O)C(=C)C12
|
|
| MolPort-027-720-870 |
0.61 |
CC1C2CCC3(C)C(=O)CCC(C)=C3C2OC1=O
|
|
| MolPort-001-739-826 |
0.61 |
CC(C)[C@H]1CC[C@@]2(O)COC(=O)[C@H]2[C@@H]1\C=C(/CO)C(O)=O
|
|
| MolPort-019-931-768 |
0.61 |
CC1(C)CC2C=C([C@@H]3COC(=O)C(=C)[C@]23C1)C(O)=O
|
|
| MolPort-046-153-806 |
0.61 |
CC(=O)O[C@@H]1CC2[C@H](OC(=O)C22C3C=CC2(C)C2[C@H]4OC(=O)C(=C)C4CC[C@@](C)(O)C32)C2C(CC=C2C)[C@]1(C)O
|
|
| MolPort-046-767-515 |
0.61 |
[Na+].C[C@@H](C[C@H](O)[C@H]1O[C@@H]2CC[C@@]3(CC[C@@H](O3)\C=C\[C@@H](C)[C@@H]3CC(C)=C[C@@]4(O[C@H](CC(C)(O)C([O-])=O)CC[C@H]4O)O3)O[C@H]2[C@H](O)C1=C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C
|
|
| MolPort-002-525-874 |
0.61 |
C[C@]12CCC3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-029-943-084 |
0.61 |
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCO)OC(=O)C2=C
|
|
| MolPort-029-943-088 |
0.61 |
CCC(C)CC(=O)OC1C2C(CC(C)=C1C(C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-029-943-087 |
0.61 |
CCC(C)CC(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCO)OC(=O)C2=C
|
|
| MolPort-039-338-617 |
0.61 |
CC(C)C(=O)O[C@@H]1[C@H]2[C@@H](CC(C)=C1C(C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-029-943-086 |
0.61 |
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-027-853-575 |
0.61 |
COC(=O)C1=CC(O)C(O)C(C1)OC(C)C(O)=O
|
|
| MolPort-002-509-690 |
0.61 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3CCC2=C1
|
|
| MolPort-029-999-415 |
0.61 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3CCC2=C1
|
|
| MolPort-039-338-370 |
0.61 |
CC1=C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@H]1CC[C@]2(C)O
|
|
| MolPort-046-701-786 |
0.61 |
CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C
|
|
| MolPort-005-945-347 |
0.61 |
CC(=O)OC(C)(C)\C=C\C(=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-046-423-222 |
0.61 |
CC(=O)OC(C)(C)\C=C\C(=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-029-923-666 |
0.61 |
COC(=O)COC(=O)C1=CCCCCC1
|
|
| MolPort-046-763-325 |
0.61 |
CCOC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)[C@H](OC(C)=O)C1=CC3=O
|
|
| MolPort-046-509-030 |
0.61 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)CCC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-002-509-430 |
0.61 |
CCOC(=O)CC[C@H](C)[C@@H]1CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-697-406 |
0.61 |
CCC\C=C\C=C\C1=C(CO)C2OC(CC2(O)C(O)C1O)C(C)(C)O
|
|
| MolPort-001-739-851 |
0.61 |
CC(=O)OC[C@]12C[C@H](OC(C)=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)C11CO1
|
|
| MolPort-044-561-586 |
0.61 |
[Ca++].CCCCCCCCCCCCCCCC(=O)C1=C([O-])[C@@H](CO)OC1=O.CCCCCCCCCCCCCCCC(=O)C1=C([O-])[C@@H](CO)OC1=O
|
|
| MolPort-000-692-426 |
0.61 |
CC12CCC3C(CC=C4CC5(CCC34C)OCCO5)C1CCC2=O
|
|
| MolPort-002-529-799 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@]34C)OCCO5)[C@@H]1CCC2=O
|
|
| MolPort-046-682-815 |
0.61 |
C\C=C(/C)C(=O)OC1CC2C(O)CC3(C)C(=CCC4C5CCCC(C)(CO)C5CCC34C)C2CC1(C)C
|
|
| MolPort-028-602-674 |
0.61 |
CCOC(=O)\C=C1/C[C@@]2(C)C(CC[C@]3(C)C2CCC2C4[C@H]5OC[C@@]4(CCC5(C)C)CC[C@@]32C)C(C)(C)C1=O
|
|
| MolPort-044-875-291 |
0.61 |
C[C@H](CCC(O)=O)C[C@H](C)C[C@H](C)C(=O)CC(=O)[C@H](C)C[C@H](C)C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@](C)(O1)[C@@H](C)O
|
|
| MolPort-002-794-180 |
0.61 |
C[C@]12CCC3C(CC=C4CC5(CC[C@]34C)OCCO5)C1CCC2=O
|
|
| MolPort-002-511-271 |
0.61 |
CC(=O)C1CCC2C3CC=C4CC5(CC[C@]4(C)C3CC[C@]12C)OCCO5
|
|
| MCULE-3169829105 |
0.61 |
C12[C@H]3OC(C(=C)C3[C@@H](CC(=CCC[C@]1(O2)C)C)OC(=O)/C(/C)=C/CO)=O
|
|
| MCULE-5000124600 |
0.61 |
[C@@]1([H])([C@@H](C(C)C)CC[C@@]2(O)COC(=O)[C@@]12[H])/C=C(\CO)/C(O)=O
|
|
| MCULE-7078916319 |
0.61 |
[Na+].C12(C=C(CC([H])(C(C)C=CC3([H])CCC4(CCC5([H])OC([H])(C(O)CC(C)C6([H])C(C)CCC7(OCCCC7)O6)C(=C)C(O)C5([H])O4)O3)O1)C)C(O)CCC([H])(CC(O)(C)C([O-])=O)O2
|
|
| MCULE-3617996957 |
0.61 |
[K+].C12(C=C(CC([H])(C(C)C=CC3([H])CCC4(CCC5([H])OC([H])(C(O)CC(C)C6([H])C(C)CCC7(OCCCC7)O6)C(=C)C(O)C5([H])O4)O3)O1)C)C(O)CCC([H])(CC(O)(C)C([O-])=O)O2
|
|
| MCULE-4082383007 |
0.61 |
C12OC1C(=O)C(CO)=CCC(CC/C=C(\C)/C)(C)C=CC(OC(=O)/C=C(\C)/C)C2(C)O
|
|
| MCULE-2028601385 |
0.61 |
[C@]12([C@H](O)CC[C@@]([H])(C[C@](O)(C)C([O-])=O)O1)C=C(C)C[C@@]([H])([C@H](C)C=C[C@@]1([H])CC[C@@]3(CC[C@@]4([H])O[C@@]([H])(C(=C)[C@@H](O)[C@]4([H])O3)[C@@H](O)C[C@H](C)[C@]3([H])[C@H](C)CC[C@@]4(OCCCC4)O3)O1)O2.[Na+]
|
|
| MCULE-7949052065 |
0.61 |
C1([C@H]2[C@@]3(C(CC(C)(C)C3)C=1)C(=C)C(=O)OC2)C(O)=O
|
|
| MCULE-1031631524 |
0.61 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(C)C)C([C@@H](C)CCCOC(=O)C)=C(C)C2
|
|
| MCULE-8903950072 |
0.61 |
C1=C(C(OC)=O)CC(OC(C)C(=O)O)C(O)C1O
|
|
| MCULE-6591915280 |
0.61 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)CC(C)CC)C([C@@H](C)CCCO)=C(C)C2
|
|
| MCULE-1326219832 |
0.61 |
C(CCCOC(=O)C)(C)C1C(OC(=O)CC(C)CC)C2C(=C)C(=O)OC2CC=1C
|
|
| MCULE-9998977190 |
0.61 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(C)C)C([C@@H](C)CCCO)=C(C)C2
|
|
| MCULE-1819290201 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](OC(C)=O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-1216188840 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(C2=C1)=O
|
|
| MCULE-6319746493 |
0.61 |
COC(COC(C1CCCCCC=1)=O)=O
|
|
| MCULE-2265670269 |
0.61 |
C12(CCCCO1)C(O)C=CC(C)O2
|
|
| MCULE-9208930385 |
0.61 |
C1(=O)OC2C(CCC(C)=CCC(O)C(C)=C2)C1=C
|
|
| MCULE-8354691781 |
0.61 |
[C@H]1(O)C[C@@]2([H])[C@]3(C)C(=O)C[C@]4(C)[C@@]([H])([C@](O)(C)C(=O)C=CC(C)(C)OC(C)=O)[C@H](O)C[C@@]4(C)[C@]3([H])CC=C2C(C)(C)C1=O
|
|
| MCULE-5192807992 |
0.61 |
[C@@H]1(C[C@@]2([H])[C@]3(C)C(=O)C[C@]4(C)[C@@]([H])([C@@](O)(C(=O)C=CC(C)(C)OC(=O)C)C)[C@H](O)C[C@@]4(C)[C@]3([H])CC=C2C(C)(C)C1=O)O
|
|
| MCULE-7414589561 |
0.61 |
[C@H]1(O)C[C@]2([H])C(C(C)(C)C1=O)=CC[C@]1([H])[C@]2(C(=O)C[C@@]2([C@@]([H])([C@](O)(C)C(=O)/C=C/C(OC(=O)C)(C)C)[C@@H](C[C@@]12C)O)C)C
|
|
| MCULE-2152785861 |
0.61 |
C1C(=O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@@]4([H])[C@]3([H])C[C@H]3O[C@@]23[C@@H](O)C1
|
|
| MCULE-8267836161 |
0.61 |
C1(C(O)C(O)C2(O)CC(C(O)(C)C)OC2C=1CO)/C=C/C=C/CCC
|
|
| MCULE-4149750257 |
0.61 |
C12([C@@]3([H])[C@@H]([C@@H](O)[C@@]1([C@@]1([C@@]([H])(C=C([C@@H](OC(=O)C)C1)C)O3)COC(C)=O)C)O)CO2
|
|
| MCULE-1537420527 |
0.61 |
[C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O
|
|
| MCULE-2726162135 |
0.61 |
[C@]12(C)CCC3C(CC=C4CC5(OCCO5)CC[C@]34C)C1CCC2C(C)=O
|
|
| MCULE-9801536119 |
0.61 |
C1(C(OCC)=O)C2CCC(C2(C)C)(C)C=1
|
|
| MCULE-1316729655 |
0.61 |
CC=C(C)C(OC1CC2C(CC3(C)C(C2CC1(C)C)=CCC1C3(CCC2C1CCCC2(CO)C)C)O)=O
|
|
| MCULE-7010357679 |
0.61 |
C12(C)CCC3(CC1=CCC1C2CCC2(C1CCC2=O)C)OCCO3
|
|
| MCULE-4824360118 |
0.61 |
C12(OC(=O)C)CCC(=O)C=C1CCC1C3CCC(=O)C3(CCC21)C
|
|
| MCULE-5094181928 |
0.61 |
C(CCC1C(C2CC=C3CC4(CCC3(C)C2C(O)C1C=O)OCCO4)=O)(C)=O
|
|
| MCULE-6033104668 |
0.61 |
O1C(=O)C(CC(O)C)=CC1C(C)O
|
|
| MCULE-4974199679 |
0.61 |
C12[C@@](C)(CC[C@H]3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C
|
|
| MCULE-3223183548 |
0.61 |
C12[C@@](C)(CCC3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C
|
|
| MCULE-7942598042 |
0.61 |
CC1[C@@H]2C[C@@H]3[C@@]4(C)[C@@]([C@H]([C@H]([C@@H]([C@@H]4[C@@]2(C)[C@H](O)C(=O)C=1)O)O)C)(O)[C@@H](O)C(=O)O3
|
|
| MCULE-5714384003 |
0.61 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@H](O)[C@H](C)[C@@]4(O)[C@]3(C)[C@H](OC(=O)[C@@H]4O)CC2C(C)=C1
|
|
| MCULE-2255903955 |
0.61 |
O1C([C@@H](C)[C@@H]2CC[C@]3(C=CC(C(C)=C3[C@@H]12)=O)C)=O
|
|
| MCULE-7515529172 |
0.61 |
C12C(C)(CCC3C(C(=O)OC13)C)C=CC(=O)C=2C
|
|
| MCULE-2094560228 |
0.61 |
C1=C[C@]2(C)[C@]3([H])CC[C@@]4([H])/C(=C(\C(O)=O)/CC/C=C(\C)/C)/[C@H](C[C@]4(C)[C@]3(C([C@@H](O)[C@@]2([H])[C@H](C)C1=O)=O)C)OC(=O)C
|
|
| MCULE-5965392040 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])[C@H](OC)C=C2C[C@H]1O
|
|
| MCULE-9968073626 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])[C@@H](OC)C=C2C[C@H]1O
|
|
| MCULE-5494151913 |
0.61 |
C1=CC23OC(=O)C(C)(C2([H])C(C(O)=O)C24CC([H])(C(=C)C2)CCC43[H])C1O
|
|
| MCULE-9743315595 |
0.61 |
CC1(C(OC2C(OC3C(O)C(O)C(O)C(C)O3)C(OC3C(O)C(O)C(O)CO3)C(O)CO2)CCC2(C=O)C1CCC1(C3(C)C(C(C4(C(O)OC(/C=C(/C)\C)C4)O)CC3)CCC12)C)C
|
|
| MCULE-2235884727 |
0.61 |
C1=C[C@]23OC(=O)[C@@](C)([C@@]2([H])[C@H](C(O)=O)[C@]24C[C@]([H])(C(=C)C2)CC[C@]43[H])[C@H]1O
|
|
| MCULE-9013163041 |
0.61 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-5448913970 |
0.61 |
[C@@]123C=C[C@@H]([C@@](C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-4523943869 |
0.61 |
C1C=C(C)CC(OC(=O)C)C2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-2277162868 |
0.61 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-9169992682 |
0.61 |
C123C=CC(C(C(=O)O1)(C)C2C(C12CC(C(C1)(O)CCC23)=C)C(O)=O)O
|
|
| MCULE-3099268900 |
0.61 |
C12CC(C)(C)CC31C(O)(CO)C(=O)OCC3C(C(O)=O)=C2
|
|
| MCULE-7137514215 |
0.61 |
C[C@H]1[C@H](O)C(=O)OC[C@@]23[C@@]4([C@@]5(OC5)[C@H](O[C@@H]2C=C(CC3)C)C[C@H]4OC(=O)C=CC=CC(=O)OCC1)C
|
|
| MCULE-1194830104 |
0.61 |
O1C(CCC)C(O)C(O)C=CCCC(OC(=O)/C=C/C=C/C)C1=O
|
|
| MCULE-2502517261 |
0.61 |
C1CC2(C=O)C3=CC4(C)OC(C(=O)OC)(C)C(=O)C4(C)C(C(=O)OC)C3(C)CCC2C(C)(C)C1OC(=O)C
|
|
| MCULE-2865063085 |
0.61 |
[C@H]12[C@H]3OC(C(=C)[C@@H]3[C@H](CC(=CCC[C@]1(O2)C)C)OC(=O)C(CO)=CCO)=O
|
|
| MCULE-9655561687 |
0.61 |
CC1OCC(C2CCCCCC=2)(O)C1
|
|
| MCULE-1276895092 |
0.61 |
OC1(C2OCCC=2)CCC2(CC2)CC1
|
|
| MCULE-9960917770 |
0.61 |
[C@H]1(/C=C/[C@](O)(C)CCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC
|
|
| MCULE-5454204287 |
0.61 |
C1C[C@@]2(C)[C@@]([C@H](O)CC3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-5384106604 |
0.61 |
OC1(C2OCCC=2)C2C=CC(C2)C1
|
|
| MCULE-9660798204 |
0.61 |
C1(=O)CCC(O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
|
|
| MCULE-6668637397 |
0.61 |
O=C(/C=C1/CCC2(OCCO2)CC/1)OCC
|
|
| MCULE-4123122678 |
0.61 |
CC(OC(/C=C1\CCC2(OCCO2)CC\1)=O)(C)C
|
|
| MCULE-8025116603 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1OC(C)=O
|
|
| MCULE-1414577822 |
0.61 |
C12=CC(OC1=O)CC(C)=CC1OC(=O)C(=C)C1CCC(C)=CCC2
|
|
| MCULE-4115143726 |
0.61 |
O[C@@H]1C(=C(C)C[C@@]2([H])OC(=O)C(=C)[C@@]12[H])[C@@H](C)CCCO
|
|
| MCULE-5464105562 |
0.61 |
C1CC2C(O)C3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H](C1)C
|
|
| MCULE-1278548612 |
0.61 |
C12[C@H](OC(C)=O)C[C@@]3([C@](C)([C@H](CC[C@@]3(C)C(OC)=O)OC(C)=O)C=1CC[C@](C)(C=C)[C@@H]2OC(C)=O)[H]
|
|
| MCULE-4437204352 |
0.61 |
O(C(=O)C)[C@H]1[C@](C=C)(C)CCC2=C1[C@H](OC(=O)C)CC1[C@]2(C)[C@@H](OC(C)=O)CC[C@@]1(C)C(OC)=O
|
|
| MCULE-2203626367 |
0.61 |
C1(C)CC2OC(=O)C(=C)C2C(O)C=1C(C)CCCO
|
|
| MCULE-1120014260 |
0.61 |
[C@@]12([H])OC(=O)C([C@@]1([H])CC=C([C@@H](OC(=O)C)CC(=O)C)[C@@H](C)C2)=C
|
|
| MCULE-3861744236 |
0.61 |
C12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@@]1([H])[C@]3([H])C(C)(C)[C@]3(OC(CCCCCCCCCCCCCCC)=O)C[C@@H](C)[C@@]12O
|
|
| MCULE-8731065773 |
0.61 |
C1(C)=C[C@@]2([H])O[C@]3([H])[C@H](O)[C@@H](OC(=O)C)[C@@](C)(C43CO4)[C@@]2(CO)C[C@@H]1O
|
|
| MCULE-5303288459 |
0.61 |
C12C=C(C)C(=O)C1(O)CC(CO)=CC1C3C(C)(C)C3(OC(CCCCCCCCCCC)=O)CC(C)C12O
|
|
| MCULE-1159348886 |
0.61 |
C1=C(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-7864191553 |
0.61 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](O)C([C@@H](C)CCCOC(=O)C)=C(C)C2
|
|
| MCULE-8693881242 |
0.61 |
C12(C3(C4[C@@]5([H])OC(=O)C(=C)C5CC[C@@](O)(C4(C1)C=C3)C)C)C(O[C@@]1([H])C2C[C@@H](OC(=O)C)[C@](O)(C)C2C1C(C)=CC2)=O
|
|
| MCULE-8720311593 |
0.61 |
C1(C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@H](OC(=O)/C(=C\C)/C)C(=CC(=O)C=1)C)C
|
|
| MCULE-2233347949 |
0.61 |
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CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC
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0.60 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-000-755-388 |
0.60 |
CC1=C(C(=O)OC1(C)C)C(C)(O)C(C)(O)C1=C(C)C(C)(C)OC1=O
|
|
| MolPort-023-220-614 |
0.60 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@@]3(CC[C@@H]1O)OC2=O)C(=C)C5.C[C@@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-039-052-438 |
0.60 |
CC(=O)O[C@@H]1C\C(C)=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-003-959-790 |
0.60 |
CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
|
|
| MolPort-003-983-809 |
0.60 |
CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C\C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
|
|
| MolPort-046-697-154 |
0.60 |
CC1=CC2(O)OC3C4C5C(C(=O)C(C)(O)C(O)C5(O)OC3(C)C)C2(\C=C\C(C)(C)O)C4C1=O
|
|
| MolPort-001-740-739 |
0.60 |
CCCCCCCC(=O)OC1C(OC(=O)C(\C)=C\C)C(C)=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(C)=O)C12)OC(=O)CCC
|
|
| MolPort-001-740-737 |
0.60 |
CCCCCC(=O)OC1C(OC(=O)C(\C)=C\C)C(C)=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(C)=O)C12)OC(=O)CCC
|
|
| MolPort-044-561-064 |
0.60 |
CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)C12)OC(=O)CCC
|
|
| MolPort-046-761-036 |
0.60 |
C\C=C(\CO)C(=O)O[C@@H]1C\C(C)=C\[C@@H](O)C\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-046-762-702 |
0.60 |
C[C@@H]1[C@H]2CC[C@]3(C)[C@@H]([C@@H](O)C[C@@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-001-512-553 |
0.60 |
CC(=O)C12OC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
|
|
| MolPort-001-739-893 |
0.60 |
C[C@H]1[C@H]2C=C([C@@H]3COC(=O)[C@](O)(CO)C23C=C1C)C(O)=O
|
|
| MolPort-000-707-481 |
0.60 |
CC(=O)[C@@]12O[C@@H]1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
|
|
| MolPort-035-706-373 |
0.60 |
CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)O1
|
|
| MolPort-001-742-576 |
0.60 |
CC(C)C(=O)OCC1=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C2C(C1)OC(=O)C2=C
|
|
| MolPort-006-113-476 |
0.60 |
CCOC(=O)C1=CCCCC1
|
|
| MolPort-035-946-559 |
0.60 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]21CCC(=O)O1
|
|
| MolPort-029-942-993 |
0.60 |
CC12CC(OC(=O)C1(C)O)C(C2)C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CC(=O)C12C
|
|
| MolPort-039-101-233 |
0.60 |
C\C=C(/CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-101-234 |
0.60 |
C\C=C(\CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-027-640-870 |
0.60 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)OC
|
|
| MolPort-039-338-478 |
0.60 |
CC1=C2[C@H](OC1=O)[C@H](O)[C@H]1[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]1(O)[C@@H]2O
|
|
| MolPort-039-338-479 |
0.60 |
CC1=C2[C@H](OC1=O)[C@H](O)[C@H]1[C@]3(C)CCCC(C)(C)[C@H]3CC[C@@]1(O)[C@H]2O
|
|
| MolPort-021-804-540 |
0.60 |
CC1=CC(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC12
|
|
| MolPort-021-804-437 |
0.60 |
CC(OC1OC(CO)C(O)C(O)C1O)\C=C\C1(O)C(C)(C)CC(O)CC1(C)O
|
|
| MolPort-042-646-608 |
0.60 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C/C
|
|
| MolPort-007-980-841 |
0.60 |
CC(=O)[C@@]12CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)[C@@H]1O2
|
|
| MolPort-006-668-580 |
0.60 |
CC1(C)CCCC2(C)C1CC=C1C(=O)OC(O)C21O
|
|
| MolPort-006-668-351 |
0.60 |
CC1=C2C3OC(=O)C(=C)C3C(O)CC2(C)CCC1
|
|
| MolPort-003-958-863 |
0.60 |
CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-001-742-676 |
0.60 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2COC(C)=O)CC(O)=O
|
|
| MolPort-046-596-330 |
0.60 |
CC(=O)[C@@]12CC3C4CC=C5CC(O)CC[C@]5(C)C4CC[C@]3(C)[C@@H]1O2
|
|
| MolPort-046-597-757 |
0.60 |
CC(OC(C)=O)[C@]1(CCC2C3CCC4=CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)OC(C)=O
|
|
| MolPort-003-855-493 |
0.60 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(\C)=C/C
|
|
| MolPort-003-712-637 |
0.60 |
C\C=C(/C)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-046-690-262 |
0.60 |
C[C@H]1[C@@H]2CC[C@@]3(C)[C@@H]([C@H](O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-002-530-359 |
0.60 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C(\C)=C/C
|
|
| MolPort-002-527-934 |
0.60 |
CC(OC(C)=O)[C@]1(CC[C@H]2[C@@H]3CCC4=C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)OC(C)=O
|
|
| MolPort-002-527-432 |
0.60 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-002-526-910 |
0.60 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)C[C@H](O)[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-525-601 |
0.60 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-002-509-911 |
0.60 |
CC(=O)[C@@]12O[C@]1(C)CC1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-002-506-867 |
0.60 |
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-001-963-974 |
0.60 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC21CCC(=O)O1
|
|
| MolPort-000-208-022 |
0.60 |
CC1(CCC(=O)O1)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MCULE-2147966582 |
0.60 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CCC2[C@]1(CO)CC[C@H](O)C=2)C1COC(=O)C=1
|
|
| MCULE-4569544045 |
0.60 |
C12(O)CCC(C1(C)CC[C@]1([H])C(CCC(O)CC(=O)CC[C@@]21[H])=O)C1COC(=O)C=1
|
|
| MCULE-1831576109 |
0.60 |
C1[C@@]2(C)C(C3(CO3)C[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC2=O)=CC(=O)C=1
|
|
| MCULE-8451955222 |
0.60 |
[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C2[C@H](C)C1
|
|
| MCULE-9912732918 |
0.60 |
C1C[C@]2(C)[C@@]3([H])C[C@H](OC(C)=O)C(C(C)C)=CC3=CC[C@@]2([H])[C@@](C(=O)O)(C)C1
|
|
| MCULE-5455459863 |
0.60 |
[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@H](O)[C@H](C)[C@@]4(O)[C@]3(C)[C@H](OC(=O)[C@@H]4O)CC2=C(C)C1
|
|
| MCULE-9878715932 |
0.60 |
C1(C2(C)C(=O)CC3(C(C2CC=C1C(C)(C)C(O)=O)(C)CC(O)C3C(C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)C)CC(=O)O
|
|
| MCULE-3501875786 |
0.60 |
[C@@H]12[C@@H](CC[C@]3(C)[C@@H](C=CC(=C)C31)OC(=O)C(C)=CC)[C@H](C(=O)O2)C
|
|
| MCULE-9362024437 |
0.60 |
C1C(C(C(CC1=O)C)(/C=C/C(OC1OC(CO)C(O)C(O)C1O)C)O)(C)C
|
|
| MCULE-9996588512 |
0.60 |
C12(O)CC(CO)=CC3C4C(C)(C)C4(OC(=O)C(C)CC)C(OC(=O)C)C(C)C3(O)C1C=C(C)C2=O
|
|
| MCULE-4528371133 |
0.60 |
C12(O)CC(CO)=CC3C4C(C)(C)C4(OC(=O)C(CC)CC)C(OC(=O)C(C)C)C(C)C3(O)C1C=C(C)C2=O
|
|
| MCULE-8738789658 |
0.60 |
[C@]12(OC(=O)CCC)C(C)(C)[C@H]1[C@]1([H])C=C(CO)C[C@]3(O)C(C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@H]2OC(=O)CCC)=O
|
|
| MCULE-9544869308 |
0.60 |
C(O[C@@H]1[C@@H](C)[C@@]2(O)[C@]([H])([C@]3([H])C(C)(C)[C@@]31OC(C)=O)C=C(CO)C[C@@]1(O)[C@@]2([H])C=C(C)C1=O)(=O)CCCCCCCCCCCCC
|
|
| MCULE-1800748634 |
0.60 |
C12(C=C(C(C1(CC(=CC1(C3([H])C(C)(C)C3(OC(=O)C)C(OC(CCCCCCCCCCCCC)=O)C(C)C12O)[H])CO)O)=O)C)[H]
|
|
| MCULE-1558356423 |
0.60 |
[C@]12(O)C(C)=CC(=O)C1=C(C)CCC1[C@@H]2OC(C1=C)=O
|
|
| MCULE-1325545503 |
0.60 |
[C@]12([H])[C@@]3(O)[C@H](C)[C@@H](OC(CCCCCCCCCCCCC)=O)[C@@]4(OC(=O)C)C(C)(C)[C@H]4[C@]3([H])C=C(CO)C[C@]1(O)C(=O)C(C)=C2
|
|
| MCULE-4707973061 |
0.60 |
O1C[C@@]23[C@@]4(C)[C@H](OC(=O)C=CC=CC(OCCC(C(C1=O)O)C)C(C)O)C[C@@H](O[C@]2([H])C=C(C)CC3)[C@]14CO1
|
|
| MCULE-9018110404 |
0.60 |
[C@H]1(C(=O)C(C)(C)C2[C@@]([H])(C1)[C@@]1(C(C[C@]3([C@]([C@]1([H])CC=2)(C[C@H](C3[C@](O)(C)C(=O)/C=C/C(C)(C)OC(=O)C)O)C)C)=O)C)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
|
|
| MCULE-3416394321 |
0.60 |
OC1C=C(CCC2OCCCC2)CC1
|
|
| MCULE-7177658171 |
0.60 |
C1(C(C)(C)CCCC=1C)C(OCC)CC(C)=CCO
|
|
| MCULE-6706886768 |
0.60 |
CC(COC1C=CCCCCC1)N
|
|
| MCULE-4783463603 |
0.60 |
OC(C(C=CC1OCCCC1)=O)=O
|
|
| MCULE-6377062249 |
0.60 |
OC(C=CC(C1C2OC(CC2)C1)=O)=O
|
|
| MCULE-9715251524 |
0.60 |
C1(CC2CCC1(OC)C=C2)C(OC)=O
|
|
| MCULE-1160223618 |
0.60 |
C12(C)CCC3C(CC=C4CC5(OCCO5)CCC34C)C1CCC2(O)C(C)=O
|
|
| MCULE-9250986602 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4CC5(OCCO5)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(C)=O)[H]
|
|
| MCULE-4810843401 |
0.60 |
[C@]12(C)CCC3C(CC=C4CC5(OCCO5)CC[C@]34C)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-2058016705 |
0.60 |
C1(=O)O[C@H]2[C@@H](CCC(C)=CCCC(C)=C2)C1=C
|
|
| MCULE-9301632354 |
0.60 |
C1(=O)O[C@]2([C@@]([H])(CCC(C)=CCCC(C)=C2)C1=C)[H]
|
|
| MCULE-1112041418 |
0.60 |
O=C1CCC2(C)C(C1)(C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC=C12)OC(C)=O)[H]
|
|
| MCULE-1066490491 |
0.60 |
C1(=C(C)C(OC1=O)(C)C)C(C)(O)C(C)(O)C1=C(C)C(OC1=O)(C)C
|
|
| MCULE-9728345441 |
0.60 |
C1=C(C)C[C@@H](OC(=O)C)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2O[C@]2(C)CC1
|
|
| MCULE-5611461738 |
0.60 |
C1C[C@@]23[C@]([C@]([C@H]1O)(C)C(=O)O2)([H])[C@H](C(=O)O)[C@@]12CC(=C)[C@@]([H])(C1)CC[C@@]32[H].C1=C[C@]23OC(=O)[C@@](C)([C@@]2([H])[C@H](C(O)=O)[C@]24C[C@]([H])(C(=C)C2)CC[C@]43[H])[C@H]1O
|
|
| MCULE-4276889182 |
0.60 |
[C@]12([H])[C@H](OC(=O)CCCCCCC)[C@@H](OC(=O)C(C)=CC)C(C)=C1[C@]1([H])OC(=O)[C@](O)(C)[C@]1([C@@H](OC(=O)CCC)C[C@]2(C)OC(=O)C)O
|
|
| MCULE-8381767711 |
0.60 |
C1C2(OC3C(C)(C)OC4(O)C(O)C(O)(C)C(=O)C5C4C3C(C25/C=C/C(O)(C)C)C(=O)C=1C)O
|
|
| MCULE-3806067009 |
0.60 |
[C@H]1(OC(=O)CCC)C[C@](C)(OC(=O)C)[C@@]2([H])[C@H](OC(CCCCCCC)=O)[C@@H](OC(=O)/C(/C)=C\C)C(C)=C2[C@@H]2OC(=O)[C@](O)(C)[C@@]12O
|
|
| MCULE-9641361394 |
0.60 |
[C@@H]12OC(=O)[C@](O)(C)[C@@]1(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@@]1([H])[C@H](OC(CCCCCCC)=O)[C@@H](OC(=O)C(C)=CC)C(C)=C12
|
|
| MCULE-6517626137 |
0.60 |
O(C(=O)/C(=C/C)/C)C1C(C)=C2C3OC(C(C3(O)C(CC(C2C1OC(CCCCC)=O)(OC(C)=O)C)OC(=O)CCC)(C)O)=O
|
|
| MCULE-5275177846 |
0.60 |
C12([H])C(C)(OC(=O)C)CC(OC(=O)CCC)C3(O)C(C(=O)OC3([H])C1=C(C(OC(=O)C(C)=CC)C2OC(=O)CCCCCCC)C)(O)C
|
|
| MCULE-9090867563 |
0.60 |
[C@@]12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)[C@@H]1O2
|
|
| MCULE-5872033859 |
0.60 |
C1CC2(C)C3(O)C(O)OC(=O)C3=CCC2C(C)(C)C1
|
|
| MCULE-9485946749 |
0.60 |
C1(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC2C(C)=C1
|
|
| MCULE-4966336591 |
0.60 |
C12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)C1O2
|
|
| MCULE-9144922088 |
0.60 |
C(C)(C12C(C)(CC3C4CC=C5CC(O)CCC5(C)C4CCC31C)O2)=O
|
|
| MCULE-9530855398 |
0.60 |
OC(C12CCCC1C2)C1OCCC=1
|
|
| MCULE-4532568061 |
0.60 |
OC1(C2OCCC=2)CC2CC(CC2)C1
|
|
| MCULE-5014476622 |
0.60 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1)O
|
|
| MCULE-3605854604 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)=C([H])C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1491500449 |
0.60 |
O1C(CC2C1C1(C)C(C2)C2C(CC1)C1(C)CCC(O)CC1=CC2)=O
|
|
| MCULE-8131321980 |
0.60 |
C1(=C[C@]2([H])[C@H](C)C(C)=CC32[C@]1(COC(=O)[C@@]3(CO)O)[H])C(O)=O
|
|
| MCULE-3193343372 |
0.60 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=CC
|
|
| MCULE-9075211166 |
0.60 |
[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-4498603332 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC=C2C1)C(C)(OC(C)=O)[H]
|
|
| MCULE-7405954364 |
0.60 |
[C@@]12(C(C)=O)O[C@]1(C)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)O
|
|
| MCULE-7170821286 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCOC(C)=O)CCC4C3CC=C2C1
|
|
| MCULE-8149583555 |
0.60 |
C1(C)C(O)CC=C(C)C(O)CC(=O)OC(C)C(C)CCC=1
|
|
| MCULE-8432569167 |
0.60 |
C1(O)C=C(C)CC(OC(=O)/C(/CO)=C/C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-2694337000 |
0.60 |
OC(C1OCCC=1)C1CC2C(C2)CC1
|
|
| MCULE-5591099284 |
0.60 |
[C@]12(C(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)O)[H]
|
|
| MCULE-9254356497 |
0.60 |
C12(C)C3C(C4(C)OC3(C)C=C4)C(C)(O1)C(C(=O)OC)=C2C(=O)OC
|
|
| MCULE-6196184522 |
0.60 |
CCOCC1(C2C=CC(C2)C1)O
|
|
| MCULE-4714068349 |
0.60 |
CCCC1C(=CC(C)=O)COC1
|
|
| MCULE-7388224086 |
0.60 |
C12C(CC(=C(C(C)CCCOC(C)=O)[C@H]1OC(C)=O)COC(C(C)C)=O)OC(=O)C2=C
|
|
| MCULE-7639346141 |
0.60 |
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)[C@H]1O
|
|
| MCULE-8170049202 |
0.60 |
OC(C12CCCCC1C2)C1OCCC=1
|
|
| MCULE-9072555005 |
0.60 |
C1(O)C=C(C)CC(OC(=O)/C(/CO)=C\C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-7272779592 |
0.60 |
[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(=O)C(C)=CC
|
|
| MCULE-1935435552 |
0.60 |
O=C1C2(C3CC(C4(C(CCC4C4C5OC(=O)C(O)(C)C(C)(C5)C4)C3C3OC3C2(CC=C1)O)C)=O)C
|
|
| MCULE-6649407342 |
0.60 |
C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)O
|
|
| MCULE-8850033734 |
0.60 |
CC(OCC1(C2C=CC(C2)C1)O)C
|
|
| MCULE-2337967762 |
0.60 |
[C@]12(C)CCC3C(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]2(OC(C)=O)C(C)OC(C)=O
|
|
| MCULE-3745855555 |
0.60 |
OC(C1OCCC=1)C1C2C(C2)CCC1
|
|
| MCULE-9954921718 |
0.60 |
C1C(C)(C)C(C(O)(C)CC1O)(O)/C=C/C(OC1OC(CO)C(O)C(O)C1O)C
|
|
| MCULE-9952768892 |
0.60 |
C1(=O)CC2C(C(=C1)COC(=O)C)(C)CCC(C)C2(CCC(CC(O)=O)C)C
|
|
| MCULE-2091190347 |
0.60 |
OC(C1(OCCC1)CC1CC=CCC1)=O
|
|
| MCULE-4173076088 |
0.60 |
C12(C)C3C(C4OC3(C)C=C4)C(C)(O1)C(C(=O)OC)=C2C(=O)OC
|
|
| MCULE-1138338360 |
0.60 |
CC12C3(OC(=O)CC3)CCC1C1CC=C3C(C)(C1CC2)CCC(O)C3
|
|
| MCULE-5702185362 |
0.60 |
[C@]123O[C@@]1([H])[C@@]1([H])[C@@](O1)(C(C)C)[C@@H](O)[C@]12O[C@@]1([H])C[C@@]1([H])C2COC(=O)C=2CC[C@]31C
|
|
| MCULE-3556341827 |
0.60 |
CC(C12C(O)C34C(CC5C(C)(C63C(O6)C1O2)CCC1C(OCC5=1)=O)O4)C
|
|
| MCULE-3581898493 |
0.60 |
C1C[C@]2(C)[C@]34O[C@H]3[C@@H]3O[C@]3(C(C)C)[C@@H](O)[C@]34O[C@H]3C[C@@]2([H])C2COC(=O)C1=2
|
|
| MCULE-6534243824 |
0.60 |
C1=CC2C3C=C(C(=O)OC)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-9530980879 |
0.60 |
C1C[C@]2(C)[C@]3([H])[C@@H](O)CC4=C([C@@H](C[C@H](OC(C)=O)[C@H]5OC5(C)C)C)CC[C@]4(C)[C@@]3(C)CC[C@@]2([H])C(C)(C)C1=O
|
|
| MCULE-6482288037 |
0.60 |
C1CC2(C)C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC=C2CC1OC(=O)C=CCC(C)C
|
|
| MCULE-3491107929 |
0.60 |
CC(C1CCC2(C)C=1CC(O)C1C2(C)CCC2C1(C)CCC(C2(C)C)=O)CC(OC(C)=O)C1OC1(C)C
|
|
| MCULE-8302542414 |
0.60 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)OC(C)=O)[H]
|
|
| MCULE-3521793580 |
0.60 |
C1[C@@H](O)[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
|
|
| MCULE-1028193763 |
0.60 |
C1C(O)C2(C(C3C(CC2)C(=C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-6317272202 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CCC2(C1)[H])C(OC)=O
|
|
| MCULE-8885392456 |
0.60 |
C12(OCCO1)CCC(C(O)(C)C)=CC2
|
|
| MCULE-6357389651 |
0.60 |
CCOC(C1CCCC=1)CC(O)=O
|
|
| MCULE-2056984207 |
0.60 |
O1C2CC=CC1CC2
|
|
| MCULE-9495613593 |
0.60 |
C1([C@@]2([H])C(=C(C)[C@@H](OC(=O)/C(=C\C)/C)[C@@H]([C@@H]3[C@@H]2OC(C3=C)=O)O)C(=O)C=1)C
|
|
| MCULE-7619848570 |
0.60 |
C1CC2(C)C3C(CCC2CC1OC1OC(C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O)CO)C1(O)CC/C(=C2/CC(OC/2)=O)/C1(C)CC3
|
|
| MCULE-8782047011 |
0.60 |
[C@@]12(OC(=O)C)C[C@H]([C@]3(O)[C@]4([H])C=C(C)C(=O)[C@]4(CC(CO)=C[C@@]3([H])[C@]1([H])C2(C)C)O)C
|
|
| MCULE-5751414985 |
0.60 |
[C@@H]12OC(C(=C)[C@@H]1CC([C@@]1(C)CCCC(C)=C21)=O)=O
|
|
| MCULE-5162561663 |
0.60 |
C12=CC(=O)[C@]3([C@](C)(CC([C@H](O)C3)O)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](OC(C)=O)CC1C(C)OC(=O)C1C)[H]
|
|
| MCULE-3044681837 |
0.60 |
CCOC(C1=CC2CCC1C=C2)=O
|
|
| MCULE-6697936504 |
0.60 |
C1CC2(C)C3C(=O)CC4(C)C(C5(C)CCC(=O)O5)CC(O)C4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MCULE-5189438807 |
0.60 |
C1(C(C(/C=C(/C)\CCC2OC(=O)C=C2C)=O)C(C(C(C(O)/C=C(/C)\C)=O)C)CC1)C
|
|
| MCULE-2553518631 |
0.60 |
C(C)(=O)OC1CCC2(C)C3(C1)CCC1(C4CCC(C(C)CCC(C)C(C)C)C4(C)CC=C21)O3
|
|
