| MolPort-046-162-881 |
0.78 |
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-005-944-452 |
0.74 |
CC(O)C1OCCC(C)C(O)C(=O)OC[C@]23CCC(C)=C[C@H]2O[C@@H]2C[C@@H](OC(=O)\C=C/C=C/1)[C@@]3(C)[C@]21CO1
|
|
| MCULE-4707973061 |
0.74 |
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
|
|
| MolPort-046-153-109 |
0.73 |
CC1=CC2OC3CC4OC(=O)\C=C/C=C/C5(OCC\C(=C/C(=O)OCC2(CC1)C4(C)C31CO1)C5O)C(O)CO
|
|
| MCULE-1574607045 |
0.73 |
C1COC2(C(O)CO)C=CC=CC(=O)OC3CC4OC5C=C(C)CCC5(C3(C)C34CO3)COC(=O)C=C1C2O
|
|
| MCULE-2908969686 |
0.73 |
C1(=C[C@@]2([H])O[C@@H]3C[C@@H](OC(=O)/C=C\C=C\[C@@H](OCCC4=CC(=O)OC4)[C@@H](C)O)[C@@]([C@]43OC4)([C@@]2(CO)CC1)C)C
|
|
| MCULE-9227968515 |
0.73 |
O1CCC(C)C(O)C(OCC23C4(C)C(OC(C=CC=CC1C(O)C)=O)CC(OC2C=C(CO)CC3)C14OC1)=O
|
|
| MolPort-005-944-095 |
0.73 |
C[C@@H](O)[C@H](OCCC1=CC(=O)OC1)\C=C\C=C/C(=O)O[C@@H]1C[C@H]2O[C@@H]3C=C(C)CC[C@]3(CO)[C@]1(C)[C@]21CO1
|
|
| MolPort-046-153-053 |
0.73 |
CC(O)C1OCCC(C)C(O)C(=O)OCC23CCC(CO)=CC2OC2CC(OC(=O)\C=C/C=C/1)C3(C)C21CO1
|
|
| MolPort-042-675-453 |
0.71 |
CC(C\C=C\C=C(/C)C(=O)OCC(O)C(O)C(O)C(O)CO)C(O)CC(O)=O
|
|
| MCULE-2984245746 |
0.71 |
C(=O)(O)CC(O)C(C)C/C=C/C=C(\C)/C(=O)OCC(O)C(O)C(O)C(CO)O
|
|
| MCULE-7567944474 |
0.71 |
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
|
|
| MCULE-1423279095 |
0.71 |
C1(/C2OC2C2(O)CC(C(O)(C)C)OC2C/1(O)CO)=C\C=C\C(O)CCC
|
|
| MolPort-046-697-411 |
0.71 |
CCCC(O)\C=C\C=C1\C2OC2C2(O)CC(OC2C1(O)CO)C(C)(C)O
|
|
| MolPort-044-831-093 |
0.70 |
CC(O)C1OCCC(C)C(O)C(=O)OCC23CCC(=CC2OC2CC(OC(=O)\C=C/C=C/1)C3(C)C21CO1)C(O)=O
|
|
| MCULE-4431104700 |
0.70 |
C12CC3OC4C=C(CCC4(COC(=O)C(O)C(CCOC(C(O)C)C=CC=CC(=O)O1)C)C2(C)C13CO1)C(=O)O
|
|
| MolPort-039-338-709 |
0.70 |
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-008-268-188 |
0.69 |
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-001-739-415 |
0.69 |
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
|
|
| MCULE-5949800550 |
0.69 |
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
|
|
| MCULE-8292530097 |
0.69 |
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
|
|
| MCULE-3995023146 |
0.69 |
[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-4149750257 |
0.69 |
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-7317277088 |
0.69 |
[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]
|
|
| MolPort-001-739-851 |
0.69 |
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-046-697-408 |
0.68 |
CCCC(O)C(O)\C=C\C1=C(CO)C2OC(CC2(O)C(O)C1O)C(C)(C)O
|
|
| MolPort-046-697-409 |
0.68 |
CCCC(O)C(O)\C=C\C1=C(CO)C2OC(CC2(O)CC1O)C(C)(C)O
|
|
| MolPort-003-983-571 |
0.68 |
CO[C@@H]1[C@@H](CC[C@@]2(CO2)[C@H]1[C@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O
|
|
| MolPort-016-580-770 |
0.68 |
CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O
|
|
| MolPort-002-529-183 |
0.68 |
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
|
|
| MolPort-006-123-446 |
0.68 |
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
|
|
| MolPort-008-268-177 |
0.68 |
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
|
|
| MolPort-001-739-223 |
0.68 |
COC1C(CCC2(CO2)C1C1(C)OC1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O
|
|
| MolPort-023-276-199 |
0.68 |
CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=O
|
|
| MolPort-046-703-111 |
0.68 |
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)[C@]11CO1
|
|
| MolPort-003-940-331 |
0.68 |
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)C2(C)C11CO1
|
|
| MolPort-044-561-107 |
0.68 |
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-005-945-407 |
0.68 |
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
|
|
| MCULE-9787656862 |
0.68 |
C1(C(O)CC2(O)CC(C(O)(C)C)OC2C=1CO)/C=C/C(O)C(O)CCC
|
|
| MCULE-9382713000 |
0.68 |
C1(C(O)C(O)C2(O)CC(C(O)(C)C)OC2C=1CO)/C=C/C(O)C(O)CCC
|
|
| MCULE-6695017352 |
0.68 |
C(=C(/C)\C)/CC1C(C)(O1)C1C2(CCC(OC(/C=C/C=C/C=C/C=C/C(=O)O)=O)C1OC)CO2
|
|
| MCULE-3550702639 |
0.68 |
C12(CCC(OC(=O)C=CC=CC=CC=CC(=O)O)C(OC)C1([H])C1(C)OC1C/C=C(\C)/C)OC2
|
|
| MCULE-9103330025 |
0.68 |
[C@H]1(OC(=O)C=CC=CC=CC=CC(=O)O)[C@@H](OC)[C@@]([C@@]2(C)O[C@@H]2C/C=C(\C)/C)([H])[C@]2(OC2)CC1
|
|
| MCULE-1602272893 |
0.68 |
[C@@]12(OC1)CC[C@@H](OC(=O)C=CC=CC=CC=CC(=O)O)[C@@H](OC)[C@@]2([H])[C@@]1(C)O[C@@H]1C/C=C(\C)/C
|
|
| MCULE-7389328936 |
0.68 |
[C@@]12(CC[C@@H](OC(=O)C=CC=CC=CC=CC(=O)O)[C@@H](OC)[C@@]1([H])[C@@]1(C)O[C@@H]1C/C=C(\C)/C)OC2
|
|
| MCULE-1611419713 |
0.68 |
C/C(/C)=C/C[C@H]1O[C@@]1([C@@H]1[C@]2(OC2)CC[C@@H](OC(C=CC=CC=CC=CC(O)=O)=O)[C@H]1OC)C
|
|
| MCULE-9875985617 |
0.68 |
C[C@@]12[C@]3(COC(=O)C)[C@](C=C(CC3)C)([H])O[C@@H]([C@@]31OC3)[C@H](O)C2O
|
|
| MCULE-7137514215 |
0.68 |
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-9171564730 |
0.68 |
[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-9654942913 |
0.68 |
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-5326752011 |
0.68 |
[C@@]12(CO1)[C@@H](OC(C)=O)C[C@H](OC(C)=O)[C@@]1(C)[C@@H](OC(C)=O)[C@@H](C3=C(C)[C@@H](OC(C)=O)C[C@](O)(C3(C)C)[C@@H](OC(C)=O)[C@@]12[H])OC(C)=O
|
|
| MCULE-2745275424 |
0.68 |
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
|
|
| MolPort-046-764-879 |
0.68 |
CC(=O)OC\C=C(\C)/C=C\C=C(/C)\C=C\[C@@]12O[C@]1(C)CCCC2(C)C
|
|
| MolPort-046-067-633 |
0.68 |
C\C=C\C1OCC2(COC(C)=O)C(C)C=C(C)C1[C@@H]2C
|
|
| MolPort-001-739-413 |
0.68 |
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-039-338-116 |
0.68 |
CC(=O)O[C@H]1C[C@@]2(OC(C)=O)[C@@H](OC(C)=O)[C@@H]3[C@@]4(CO4)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C(=C1C)C2(C)C
|
|
| MolPort-046-703-392 |
0.68 |
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-039-144-778 |
0.68 |
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-039-338-182 |
0.68 |
CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(C)=O)[C@@H]3[C@@]4(CO4)[C@H](C[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
|
|
| MolPort-039-336-978 |
0.68 |
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-002-527-463 |
0.68 |
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
|
|
| MolPort-044-561-713 |
0.67 |
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-039-338-138 |
0.67 |
C\C(\C=C\[C@]1(O)[C@]2(C)CO[C@@]1(C)C[C@@H](O)C2)=C\C(O)=O
|
|
| MolPort-042-675-433 |
0.67 |
C\C(\C=C\C1(O)C2(C)COC1(C)CC(O)C2)=C/C(O)=O
|
|
| MolPort-042-675-223 |
0.67 |
C\C(\C=C\[C@]1(O)[C@]2(C)CO[C@@]1(C)C[C@H](O)C2)=C\C(O)=O
|
|
| MolPort-046-153-174 |
0.67 |
COCC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2O
|
|
| MolPort-042-675-421 |
0.67 |
C\C(\C=C\C1(O)C2(C)CC(O)CC1(C)C(=O)O2)=C/C(O)=O
|
|
| MolPort-046-697-410 |
0.67 |
CC(C)(O)C1CC2(O)C(O1)C(CO)=C(\C=C\C=C\CCC(O)=O)C(O)C2O
|
|
| MolPort-046-697-406 |
0.67 |
CCC\C=C\C=C\C1=C(CO)C2OC(CC2(O)C(O)C1O)C(C)(C)O
|
|
| MCULE-3642483296 |
0.67 |
C1C2(C)COC(C)(C2(O)/C=C/C(/C)=C/C(=O)O)CC1O
|
|
| MCULE-1897851024 |
0.67 |
C1C2(C)[C@@](C(OC2)(C[C@@H]1O)C)(O)/C=C/C(/C)=C\C(O)=O
|
|
| MCULE-4273868412 |
0.67 |
C1C=C(C)CC(O)C2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-1871800503 |
0.67 |
C1C2(COC(C)([C@@]2(/C=C/C(/C)=C(/[H])\C(=O)O)O)C[C@H]1O)C
|
|
| MCULE-1650590960 |
0.67 |
C1(C(O)C(O)C2(O)CC(C(O)(C)C)OC2C=1CO)/C=C/C=C/CCC(=O)O
|
|
| MCULE-8342852060 |
0.67 |
C1C2(C(=O)OC(C)(C2(O)/C=C/C(/C)=C/C(=O)O)CC1O)C
|
|
| MCULE-8267836161 |
0.67 |
C1(C(O)C(O)C2(O)CC(C(O)(C)C)OC2C=1CO)/C=C/C=C/CCC
|
|
| MCULE-8731065773 |
0.67 |
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-1965656534 |
0.67 |
CC[C@@H]1[C@@H](C)O[C@]([C@@H](C)[C@@H]([C@H](C)[C@@H]2[C@@H](C)C=CC=CC(=O)O[C@H]([C@@H](C)[C@H]([C@H](C)[C@@]3(O)C[C@@H](O[C@H]4C[C@H](O)[C@H](O)[C@H](C)O4)[C@H](CC)[C@@H](C)O3)O)[C@@H](C)C=CC=CC(=O)O2)O)(O)C[C@H]1O[C@H]1C[C@H](O)[C@H](O)[C@H](C)O1
|
|
| MCULE-5750073439 |
0.67 |
C1(C)CCC(C2(C)OC(CC2)(C(C)C)CC2OC2(C)CCC=1)OC(C)=O
|
|
| MCULE-9097828305 |
0.67 |
[C@@H]1(O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)C2)C)C[C@](O[C@H](C)[C@H]1CC)(O)[C@@H](C)[C@H](O)[C@H](C)[C@@]1([H])OC(=O)C=CC=C[C@@H]([C@@]([H])([C@@H](C)[C@@H](O)[C@H](C)[C@]2(O)O[C@@H]([C@@H](CC)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)C3)C)C2)C)OC(=O)C=CC=C[C@@H]1C)C
|
|
| MCULE-9912732918 |
0.67 |
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-3462067090 |
0.67 |
[C@H]1(O)C[C@]([H])(O[C@@H]2C[C@](O)([C@@H](C)[C@H](O)[C@H](C)[C@]3([H])[C@@H](C)C=CC=CC(=O)O[C@]([H])([C@@H](C)[C@@H](O)[C@H](C)[C@]4(O)O[C@H](C)[C@@H](CC)[C@H](O[C@]5([H])O[C@@H](C)[C@@H](O)[C@@H](O)C5)C4)[C@@H](C)C=CC=CC(=O)O3)O[C@H](C)[C@H]2CC)O[C@@H](C)[C@H]1O
|
|
| MCULE-1524227944 |
0.67 |
[C@@]123CC[C@H]([C@@]1(O)CCC(C)=CC2)[C@@](C)(/C=C/C=C(\C)/C(=O)O)OC3=O
|
|
| MCULE-6175671128 |
0.67 |
O[C@H]1C[C@@](O[C@@H]2C[C@@]([C@H]([C@@H]([C@@H]([C@]3(OC(=O)C=CC=C[C@@H]([C@](OC(=O)C=CC=C[C@@H]3C)([C@H]([C@H]([C@@H]([C@@]3(O[C@H](C)[C@@H](CC)[C@H](O[C@@]4(O[C@@H](C)[C@@H](O)[C@@H](O)C4)[H])C3)O)C)O)C)[H])C)[H])C)O)C)(O)O[C@H](C)[C@H]2CC)([H])O[C@@H](C)[C@H]1O
|
|
| MolPort-039-052-475 |
0.67 |
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C1(O)C=CC(O)CCC(=O)OC(C1O)CCCCCCC
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C1=CC2[C@@](C[C@@](O)(C(CO)=C)C(=O)C=2)(C)[C@@H](C)[C@H]1OC(=O)/C=C/C=C/[C@H](C)CC
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C12OC1C(=O)C(CO)=CCC(CC/C=C(\C)/C)(C)C=CC(OC(=O)/C=C(\C)/C)C2(C)O
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C(C)(=O)OC1CCC2(C)C3C(C4CCC(C(C=CCC(C)C)C)C4(C)CC=3)=CCC2(O)C1
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C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C=CC(C)C(C)C)CC=C4C=3CCC2(O)C1
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C12(C(/C=C/C3=CCOC3=O)C(=C)CCC1C(C)(COC(CCC([O-])=O)=O)C(OC(CCC(=O)O)=O)CC2)C
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C1C2OC2C=CC(C(C)(C)C(=O)OC1CC(CCC)O)O
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COCC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2OC(C)=O
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CCCC1OC(=O)C(O)CC\C=C\C(O)C1O
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CCC(C)C(=O)OC1C2[C@H](OC(=O)C2=C)\C=C(CO)\CCC=C(CO)[C@@H]1OC(C)=O
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CC1(COC(=O)CCC([O-])=O)C(CCC2(C)C1CCC(=C)C2\C=C\C1=CCOC1=O)OC(=O)CCC(O)=O
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CCCC(O)CC1CC2OC2\C=C\C(O)C(C)(C)C(=O)O1
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CC1C=C(C)C2[C@H](C)C1(COC(C)=O)COC2C=C
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C12(COC(C)=O)COC(C(C(C)=CC1C)C2C)C=C
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|
| MCULE-4603475177 |
0.64 |
C1C=C(C)CC(OC(=O)/C(/C)=C\C)C2C(=C)C(=O)OC2C2OC2(CO)C1
|
|
| 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-1324256010 |
0.64 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3=CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2=1)OC(C)=O
|
|
| MCULE-3331706181 |
0.64 |
[C@@]12(C)CC[C@H]([C@@](C)(COC(CCC(O)=O)=O)[C@@]1([H])CCC(=C)[C@@]2([H])C=CC1=CCOC1=O)OC(CCC(=O)[O-])=O.[K+]
|
|
| MCULE-9926273139 |
0.64 |
C12(C(/C=C/C3=CCOC3=O)C(=C)CCC1C(C)(COC(CCC([O-])=O)=O)C(OC(CCC(=O)O)=O)CC2)C.[K+]
|
|
| MCULE-6459769002 |
0.64 |
[C@@]12(C)CC[C@H]([C@@](C)(COC(CCC(=O)[O-])=O)C1CCC(=C)C2([H])C=CC1=CCOC1=O)OC(CCC(O)=O)=O.[K+]
|
|
| MCULE-9497907554 |
0.64 |
[C@@H]1(C)OC(C[C@@H](C[C@@H](C[C@@H](CC[C@@H](O)[C@@H](C[C@]2(O)C[C@H](O)[C@@H](C(O)=O)[C@]([H])(C[C@@H](O[C@@]3([H])O[C@@H](C)[C@H](O)[C@@H](N)[C@H]3O)C=CC=CC=CC=CCCC=CC=C[C@H](C)[C@@H](O)[C@H]1C)O2)O)O)O)O)=O
|
|
| MCULE-9297430513 |
0.64 |
[C@]12(O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CCCC=CC=CC=CC=C[C@@H](C[C@H](O1)[C@H](C(O)=O)[C@@H](O)C2)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O
|
|
| MCULE-1026365594 |
0.64 |
[C@H]1(O)[C@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O[C@@]([H])(C[C@@H](O[C@H]3[C@@H](O)[C@@H](N)[C@H](O)[C@@H](C)O3)C=CC=CC=CC=CCCC=CC=C[C@@H]1C)[C@H](C(O)=O)[C@@H](O)C2)O
|
|
| MCULE-7645214040 |
0.64 |
[C@@H]1([C@H](C)[C@H](O)[C@@H](C)C=CC=CCCC=CC=CC=CC=C[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@@](O)(C[C@H](O)[C@H]2C(O)=O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O1)C
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|
| MCULE-6413665598 |
0.64 |
O=C([C@H]1[C@@H](O)C[C@]2(C[C@@H]([C@@H](CC[C@@H](O)C[C@@H](O)C[C@@H](CC(=O)O[C@@H](C)[C@@H]([C@H](O)[C@@H](C)C=CC=CCCC=CC=CC=CC=C[C@@H](O[C@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)C[C@@H]1O2)C)O)O)O)O)O
|
|
| MCULE-3169829105 |
0.64 |
C12[C@H]3OC(C(=C)C3[C@@H](CC(=CCC[C@]1(O2)C)C)OC(=O)/C(/C)=C/CO)=O
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| MCULE-1326219832 |
0.64 |
C(CCCOC(=O)C)(C)C1C(OC(=O)CC(C)CC)C2C(=C)C(=O)OC2CC=1C
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|
| MCULE-9998977190 |
0.64 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(C)C)C([C@@H](C)CCCO)=C(C)C2
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| MCULE-1031631524 |
0.64 |
[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
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|
| MCULE-6591915280 |
0.64 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)CC(C)CC)C([C@@H](C)CCCO)=C(C)C2
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| MCULE-1089229934 |
0.64 |
C/C=C(/C(O[C@H]1[C@H]2C(C(O[C@@H]2C=C(C)[C@@H](O)C[C@H]2O[C@]2(C)C1)=O)=C)=O)\C
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|
| MCULE-8485365768 |
0.64 |
C1=CC2C3(OCCO3)C1C1C(OC(=O)C)C=CC12
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|
| MolPort-039-338-480 |
0.64 |
CC1=C2[C@H]3O[C@]33CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3[C@@H](O)[C@H]2OC1=O
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CC1=CCC(OC1=O)C(C)(O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)C=C1C=CC(=O)OC(C)(C)[C@@H]1CC3
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| MolPort-035-783-874 |
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O.O.C[C@H]1O[C@@H](OC2CC3OC(O)(CC(O)C3C(O)=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O
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| MolPort-029-996-248 |
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C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O
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C[C@H]1O[C@H](OC2CC3O[C@@](O)(CC(O)C3C(O)=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O
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| MolPort-046-682-089 |
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C[C@H]1O[C@@H](OC2CC3OC(O)(CC(O)C3C(O)=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)\C=C/C=C\CC\C=C/C=C\C=C/C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O
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| MolPort-023-290-481 |
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C[C@@H]1O[C@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)[C@H](O)[C@H](N)[C@H]1O
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| MolPort-046-763-045 |
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CC1OC(OC2CC3OC(O)(CC(O)C3C(O)=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)\C=C\C=C\CC\C=C/C=C/C=C/C=C/2)C(O)C(N)C1O
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C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@@H](C)[C@H](O)[C@@H](C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O
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C[C@H]1O[C@@H](O[C@@H]2C[C@@H]3O[C@@](O)(C[C@H](O)[C@H]3C(O)=O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)C[C@H](O)CC(=O)O[C@@H](C)[C@@H](C)[C@H](O)[C@@H](C)C=CC=CCCC=CC=C\C=C/C=C\2)[C@@H](O)[C@@H](N)[C@@H]1O
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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
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CC(C)C(=O)O[C@@H]1[C@H]2[C@@H](CC(C)=C1C(C)CCCOC(C)=O)OC(=O)C2=C
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CC(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCO)OC(=O)C2=C
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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
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CCC(C)CC(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCO)OC(=O)C2=C
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CCC(C)CC(=O)OC1C2C(CC(C)=C1C(C)CCCOC(C)=O)OC(=O)C2=C
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COCC1C2C(OC1=O)C1OC1(C)CC\C=C(C)\CC2O
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CC1C(=O)OC2C3=C(C)CCCC3(C)CCC12O
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C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)C(O)CO
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C\C(=C/C=C/[C@@]1(C)OC(=O)[C@@]23CC[C@@H]1[C@@]2(O)CCC(=CC3)C(O)=O)C(O)=O
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0.63 |
CC1=C2C=C3CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C[C@H]2OC1=O
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CC(=O)O[C@@H]1C\C(C)=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
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CC(=O)OC1C\C(C)=C\CC\C(C)=C\C2OC(=O)C(=C)C12
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|
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COC1CC(O[C@H]2CC[C@@]3(C)[C@H](CCC45OC44CC=C(C6=CC(=O)OC6)[C@@]4(C)CCC35)C2)OC(C)C1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
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CCC\C=C\C=C\C(=O)O[C@H]1C2=CC(=O)O[C@@H]2[C@H]2C[C@@H](OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C\C(C[C@@H](O4)\C=C/C(C)(C)[C@]1(O)O2)=C\C(=O)OC)O3)[C@@H](C)O
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|
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0.63 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C1
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C\C1=C/C2OC(=O)C(=C)C2C(O)C\C(CO)=C\CC1
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CO[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]44CC=C(C6=CC(=O)OC6)[C@@]4(C)CC[C@H]35)C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@]45O[C@@]44CC=C(C6=CC(=O)OC6)[C@@]4(C)CC[C@H]35)C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
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0.63 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1
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0.63 |
CC1=C2CC3OC3(C)CCC3OC3(C)CC2OC1=O
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C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(\CO)=C\CO
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)[C@@H]3C=CC2=C1
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0.63 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)C3C=CC2=C1
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0.63 |
C1C=C(C)CC(O)C2C(COC)C(=O)OC2C2OC2(C)C1
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|
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C1CC2(C)CCC3(O)C(C)C(=O)OC3C2=C(C)C1
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|
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C1C=C(C[C@@H]([C@@H]2[C@H](OC(C2=C)=O)C=C(CO)C1)OC(=O)C(=C)C(CO)O)C
|
|
| MCULE-3982920419 |
0.63 |
[C@@]123CC[C@H]([C@@]1(O)CCC(C(=O)O)=CC2)[C@@](C)(/C=C/C=C(\C)/C(=O)O)OC3=O
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| MCULE-9891857644 |
0.63 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC3C21O3
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|
| MCULE-1338496475 |
0.63 |
C1=C(C)C[C@@H](OC(=O)C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-6504048226 |
0.63 |
C1C=C(C)CC(OC(=O)C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
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0.63 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)C(C5COC(=O)C=5)=CC[C@]54O[C@@]35CC[C@]2([H])C[C@H]1O[C@H]1C[C@@H](OC)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)O2)[C@@H](C)O1
|
|
| MCULE-1159348886 |
0.63 |
C1=C(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
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0.63 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)C(C5COC(=O)C=5)=CC[C@]54O[C@@]35CC[C@]2([H])C[C@H]1O[C@H]1[C@H](O)[C@@H](OC)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](C)O1
|
|
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0.63 |
O(C[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC2C(OC)CC(O[C@@H]3C[C@@]4([C@@](C5CC[C@@]6(C(C7COC(=O)C=7)=CCC76OC57CC4)C)(CC3)C)[H])OC2C)O1)[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
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|
| MCULE-7557744061 |
0.63 |
C1CC2(C)OC2CC2C(CC3(C)OC13)OC(=O)C=2C
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|
| MCULE-1037468745 |
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C1CC(C)(C)[C@@]2([H])[C@@](C)([C@@](CO)(C(=C[C@H]2OC(/C=C/C=C/C)=O)CO)O)C1
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|
| MCULE-2865063085 |
0.63 |
[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-2427659817 |
0.63 |
[C@]12(C)CC[C@@H](C=C1C=C[C@@]1([H])C3[C@@](C)([C@@]4(CC3)CCC(=O)O4)CCC12)OC(C)=O
|
|
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C1[C@@H](C)OC(=O)C[C@@H](O)C=C[C@H]2O[C@@H]12
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|
| MCULE-6663461828 |
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C1C=C(COC(C)=O)CC(OC(=O)C(C)CC)C2C(=C)C(=O)OC2C=C(CO)C1
|
|
| MCULE-6449749404 |
0.63 |
[C@H]12[C@@H](C=C(C)CCC=C(C=O)[C@H](OC)[C@H]1OC(C(C)C)=O)OC(=O)C2=C
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|
| MCULE-3293112049 |
0.63 |
C1=C[C@@H](OC(C)=O)[C@@H]([C@H]2O[C@@H]2C)OC1=O
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|
| MCULE-8952317949 |
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CCCC[C@H]1C2=C(C=CCC2)C(=O)O1
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[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-9958013133 |
0.63 |
C1CC2C(CCCC)OC(=O)C=2C=C1
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| MCULE-3531606052 |
0.63 |
CC(C(O)=O)=CC=C[C@@]1(C)OC(=O)[C@]23CC=C(C(OC)=O)CC[C@]2(O)[C@H]1CC3
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|
| MCULE-8699525011 |
0.63 |
[C@@]123CC[C@H]([C@@]1(O)CCC(C(=O)OC)=CC2)[C@@](C)(/C=C/C=C(\C)/C(=O)O)OC3=O
|
|
| MCULE-2870896955 |
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C1C(OC[C@@]23[C@@]4(C)[C@H](OC(C=CC=CC56C(OC(O)C5O)CC=1CO6)=O)C[C@@]([H])(O[C@]2([H])C=C(C)CC3)[C@@]14OC1)=O
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|
| MCULE-5385404753 |
0.63 |
C1C=C(C)CCC2C(COC)C(=O)OC2C=C(C)C1
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|
| MCULE-9728345441 |
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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-3501448846 |
0.63 |
C1(OC2C=CC=CC=CC=CCCC=CC=CC(C)C(O)C(C)C(C)OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)CC(=O)CC(O)C(C(O)=O)C(O)C2)OC(C)C(C(N)C1O)O
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| MolPort-046-627-212 |
0.63 |
CCC(C)C(=O)OC1C\C(COC(C)=O)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-019-936-891 |
0.63 |
CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(C)\CCC=C(C=O)C1OC
|
|
| MolPort-039-139-020 |
0.63 |
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
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|
| MolPort-001-742-395 |
0.63 |
CO[C@@H]1[C@@H](OC(=O)C(C)C)[C@@H]2[C@H](OC(=O)C2=C)\C=C(C)\CC\C=C1\C=O
|
|
| MolPort-039-052-280 |
0.63 |
CCCCC1OC(=O)C2=C1CCC=C2
|
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| MolPort-046-690-131 |
0.63 |
[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1CC=CC2=C[C@@H](O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-027-720-911 |
0.63 |
CCCC[C@@H]1OC(=O)C2=C1CCC=C2
|
|
| MolPort-000-770-776 |
0.63 |
C\C=C(/C)C(=O)O[C@@H]1C=CC(=C)C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]12C
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|
| MolPort-046-690-008 |
0.63 |
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
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|
| MolPort-046-782-653 |
0.63 |
COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(O)CC1)[C@](C)(OC3=O)C=CC=C(C)C(O)=O
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|
| MolPort-039-339-063 |
0.63 |
COC(=O)C1=CC[C@]23CC[C@H]([C@@]2(O)CC1)[C@](C)(OC3=O)\C=C\C=C(/C)C(O)=O
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|
| MolPort-005-944-472 |
0.63 |
CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)\C=C/C=C/C56OC\C(CC5OC(O)C6O)=C/C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1
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|
| MolPort-046-153-176 |
0.63 |
COCC1C2CC\C(C)=C\CC\C(C)=C\C2OC1=O
|
|
| MolPort-039-052-438 |
0.63 |
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-009-675-651 |
0.63 |
CC1OC(OC2CC(O)C(C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CCCC=CC=CC=CC=C2)C(O)=O)C(O)C(N)C1O
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| MolPort-018-650-731 |
0.63 |
C[C@H]1OC(OC2CC(O)C(C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CCCC=CC=CC=CC=C2)C(O)=O)[C@@H](O)[C@@H](N)[C@@H]1O
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| MolPort-003-933-874 |
0.63 |
C[C@H]1O[C@@H](OC2CC(O)C(C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)C(O)=O)[C@@H](O)[C@@H](N)[C@@H]1O
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| MolPort-006-167-482 |
0.63 |
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
|
|
| MolPort-046-598-120 |
0.63 |
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-006-668-351 |
0.63 |
CC1=C2C3OC(=O)C(=C)C3C(O)CC2(C)CCC1
|
|
| MolPort-039-338-479 |
0.63 |
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-003-849-960 |
0.63 |
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-046-702-696 |
0.63 |
CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12
|
|
| MolPort-020-001-442 |
0.63 |
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)C12
|
|
| MolPort-003-849-961 |
0.63 |
[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-044-183-386 |
0.63 |
CC(C)\C=C(/C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(C)\C[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C
|
|
| MolPort-020-005-698 |
0.63 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C)=C\[C@@H](O)C1
|
|
| MolPort-039-338-478 |
0.63 |
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-005-944-602 |
0.62 |
CC(O)C(=O)\C=C\C=C\C(=O)OC1C=C2COC(=O)C2(O)C2(C)CCCC(C)(C)C12
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| MolPort-005-944-066 |
0.62 |
CC(O)C\C=C\C=C\C(=O)OC1C=C2COC(=O)C2(O)C2(C)CCCC(C)(C)C12
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| MolPort-001-739-763 |
0.62 |
CC(O)C(O)\C=C\C=C\C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)C12
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| MolPort-001-742-576 |
0.62 |
CC(C)C(=O)OCC1=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C2C(C1)OC(=O)C2=C
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| MolPort-046-761-036 |
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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
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| MolPort-042-675-367 |
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C\C(=C/CO)C(=O)OC1C\C(C)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
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| MolPort-001-741-296 |
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C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)CO
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| MolPort-039-052-392 |
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C\C(=C/CO)C(=O)O[C@H]1C\C(C)=C/C[C@H](O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12
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| MolPort-039-101-233 |
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C\C=C(/CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
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C\C=C(\C)C(=O)O[C@@H]1C\C(=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12)C(O)=O
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| MolPort-039-101-234 |
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C\C=C(\CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
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| MolPort-046-764-603 |
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CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3CC3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2O
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|
| MolPort-003-666-488 |
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CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
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| MolPort-006-167-608 |
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| MolPort-003-983-403 |
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CC1OC(OC2CC3OC(O)(CC(O)C3C(O)=O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)\C=C/C=C\C=C/C=C/C=C/C=C/C=C/2)C(O)C(N)C1O
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| MolPort-046-793-143 |
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CCCCCCCC\C=C/CCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C
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| MolPort-046-690-902 |
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CCCCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
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|
| MolPort-046-690-901 |
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CCCCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C
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COC(=O)[C@@H]1[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C/C=C/C=C/C=C/[C@@H](C[C@@H]1O2)O[C@@H]1O[C@H](C)[C@@H](O)[C@H](N)[C@@H]1O
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CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
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OC(=O)C[C@@H](C[C@@H](CC[C@@H]1[C@]2([H])C(=C[C@H](C[C@@H]2OC(=O)[C@H](CC)C)O)C=C[C@@H]1C)O)O
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| MCULE-2291866392 |
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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
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[C@@]12(C[C@@H]([C@]([H])(C)[C@@]([H])(/C(/C)=C/C(C)C)O1)O)O[C@@]1([H])C[C@]([H])(OC(=O)[C@]3([H])C=C([C@@]([H])(O)[C@@]4([H])OCC(=CC=C[C@]([H])(C)CC(C)=CC1)[C@@]34O)C)C2
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CCC(C(OC1C2C(C=CC(C2CCC(CC(CC(=O)[O-])O)O)C)=CC(O)C1)=O)C
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C1=C(C)C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)C[C@@H]1O
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C1CC(C)(C)C2C(C1)(C1(C(OCC1=CC2OC(/C=C/C=C/CC(O)C)=O)=O)O)C
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C12(O)C(=O)OCC1=CC(OC(=O)/C=C/C=C/C(C(C)O)=O)C1C(CCCC21C)(C)C
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C1C[C@]2(C(C(C)(C)C1)[C@H](OC(/C=C/C=C/C(O)C(C)O)=O)C=C1COC(=O)[C@]21O)C
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C1C=C(C)CC(OC(=O)/C(/C)=C/CO)C2C(=C)C(=O)OC2C=C(CO)C1
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C12C(CC(=C(C(C)CCCOC(C)=O)[C@H]1OC(C)=O)COC(C(C)C)=O)OC(=O)C2=C
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C1(O)C=C(C)CC(OC(=O)/C(/CO)=C/C)C2C(=C)C(=O)OC2C=C(C)C1
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C1=C(C(=O)O)C[C@@H](OC(=O)/C(=C\C)/C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
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| MCULE-9072555005 |
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C1(O)C=C(C)CC(OC(=O)/C(/CO)=C\C)C2C(=C)C(=O)OC2C=C(C)C1
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|
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C1C=C(C[C@H](OC(=O)C(CO)=C)[C@@H]2[C@H](OC(=O)C2=C)C=C(CO)C1)C
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| MCULE-3556341827 |
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CC(C12C(O)C34C(CC5C(C)(C63C(O6)C1O2)CCC1C(OCC5=1)=O)O4)C
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[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
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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
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O=C(O)[C@@H]1[C@H](C[C@]2(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CC=CC=CC=CC=CC=C[C@H](O[C@H]3[C@@H](O)[C@@H](N)[C@H](O)[C@@H](C)O3)C[C@]1([H])O2)O)O)O)O)O)O)O
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C12(O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(CC(C(C(O)=O)C(O)C1)O2)OC1OC(C)C(C(N)C1O)O
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C(OCC=C(C)C=CC=C(C)C=CC1C(C)(C)CCCC=1C)(=O)CCCCCCCCCCCCCCC
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|
| MCULE-2717446599 |
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[C@@H]1(C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@@]2(O)O[C@]([H])([C@H](C(O)=O)[C@@H](O)C2)C[C@@H](O[C@@]2([H])[C@@H](O)[C@@H](N)[C@H](O)[C@@H](C)O2)C=CC=CC=CC=CC=CC=CC=C1
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| MCULE-7654491147 |
0.62 |
[C@@H]1(C)OC(C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@@]2(O)O[C@]([H])([C@H](C(=O)O)[C@@H](O)C2)C[C@@H](O[C@]2([H])O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C=CC=CC=CC=CC=CC=CC=C[C@H](C)[C@@H](O)[C@H]1C)=O
|
|
| MCULE-9731576411 |
0.62 |
[C@]12([H])C[C@H](C=CC=CC=CC=CC=CC=CC=C[C@@H]([C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@@](C[C@H](O)[C@H]1C(=O)O)(O)O2)C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](N)[C@@H]1O)C
|
|
| MCULE-5140986882 |
0.62 |
C/C(/C=C/C=C(\C)/C=C/C1C(C)(C)CCCC=1C)=C\COC(=O)CCCCCCCCCCCCCCC
|
|
| MCULE-8237383569 |
0.62 |
C12(OC(=O)C)CCC(C(=O)OC)=CCC31CCC2([H])C(OC3=O)(C)C=CC=C(C)C(=O)O
|
|
| MCULE-2181267918 |
0.62 |
O=C(C(=CC=C[C@@]1([C@@]2(CC[C@@]3(C(=O)O1)CC=C(C(=O)OC)CC[C@]23OC(=O)C)[H])C)C)O
|
|
| MCULE-1284271070 |
0.62 |
[C@@]123CC[C@H]([C@@]1(OC(=O)C)CCC(C(=O)OC)=CC2)[C@@](C)(/C=C/C=C(\C)/C(=O)O)OC3=O
|
|
| MCULE-9175868071 |
0.62 |
[C@@]123CC[C@H]([C@@]1(OC(=O)C)CCC(C(=O)OC)=CC2)[C@@](C)(/C=C/C=C(\C)/C(=O)OC)OC3=O
|
|
| MCULE-6148298687 |
0.62 |
[C@]12(OC(=O)C)CCC(=CC[C@]31CC[C@@]2([H])[C@@](OC3=O)(C)/C=C/C=C(\C)/C(=O)O)C(=O)OC
|
|
| MCULE-5435592950 |
0.62 |
C1(/C=C/CCCCC)C(O)C2(OC2C(O)C=1CO)C/C=C(\C)/C(=O)O
|
|
| MCULE-8752496358 |
0.62 |
[O-]C(=O)C[C@H](O)C[C@H](O)CC[C@@H]1[C@]2([H])C(=C[C@@H](O)C[C@@H]2OC(=O)[C@@H](C)CC)C=C[C@@H]1C.[Na+]
|
|
| MCULE-7738893054 |
0.62 |
[Na+].C12=C[C@@H](O)C[C@H](OC([C@@H](C)CC)=O)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H](O)C[C@@H](O)CC(=O)[O-]
|
|
| MCULE-5372325704 |
0.62 |
[Na+].CCC(C(OC1C2C(C=CC(C2CCC(CC(CC(=O)[O-])O)O)C)=CC(O)C1)=O)C
|
|
| MCULE-2784286032 |
0.62 |
COC(C=C(/C=C1\CCC2(OCCO2)CC\1)C)=O
|
|
| MCULE-1917377062 |
0.62 |
C(C)(=O)OC1CCC2(C)C3C(C4CCC(C(C)C(OC)=O)C4(C)CC=3)=CCC2(O)C1
|
|
| MCULE-2930807712 |
0.62 |
C1[C@H](OC(=O)C)C(C)=C[C@@]2([H])OC(=O)C([C@]2([H])[C@H](OC(/C(/C)=C/CO)=O)CC(COC(=O)C)=C1)=C
|
|
| MCULE-3239458544 |
0.62 |
[C@@]123[C@]([H])(C[C@@]4([H])C5COC(=O)C=5CC[C@]4(C)[C@]41O[C@]4([C@@]1(O[C@]1(C(C)C)[C@H]2OC(CCC(O)=O)=O)[H])[H])O3
|
|
| MCULE-8569314397 |
0.62 |
O=C(C(=CCO)C)O[C@H]1[C@]2(C(C(=O)O[C@]2([H])C=C(C)[C@@H](OC(=O)C)CC=C(COC(=O)C)C1)=C)[H]
|
|
| MCULE-5527954946 |
0.62 |
O=C(/C(=C/CO)/C)O[C@H]1[C@]2(C(C(=O)O[C@]2([H])C=C(C)[C@@H](OC(=O)C)CC=C(COC(=O)C)C1)=C)[H]
|
|
| MCULE-7618445658 |
0.62 |
C1C=C(C)C[C@H]([C@H]2C(=C)C(O[C@@H]2C=C(C)[C@H]1OC(=O)C)=O)OC(=O)/C(/CO)=C/CO
|
|
| MCULE-7834728494 |
0.62 |
C[C@H]1[C@H](O)[C@H](O)CC(O[C@H]2[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@@]3(C[C@@H]([C@@H](C(=O)O)[C@@H](O3)C[C@@H](O[C@@H]3[C@H](O)[C@H](N)[C@@H](O)[C@H](C)O3)C=CC=CC=CC=CCCC=CC=C[C@@H]2C)O)O)O1
|
|
| MolPort-039-052-407 |
0.62 |
COC(=O)C(\C)=C\C=C\[C@@]1(C)OC(=O)[C@@]23CC[C@@H]1[C@]2(CCC(=CC3)C(=O)OC)OC(C)=O
|
|
| MolPort-020-392-496 |
0.62 |
COC(=O)C1=CC[C@]23CC[C@H]([C@]2(CC1)OC(C)=O)[C@](C)(OC3=O)\C=C\C=C(/C)C(O)=O
|
|
| MolPort-023-219-582 |
0.62 |
[Na+].CC[C@H](C)C(=O)OC1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-002-885-849 |
0.62 |
[Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-690-129 |
0.62 |
[Na+].C[C@@H](O)[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-689-946 |
0.62 |
[Na+].CCC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-003-849-962 |
0.62 |
[Na+].CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-006-668-208 |
0.62 |
CCCCC\C=C\C1=C(CO)C(O)C2OC2(C\C=C(/C)C(O)=O)C1O
|
|
| MolPort-006-395-743 |
0.62 |
[Na+].[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-792-772 |
0.62 |
[Na+].CCC(C)(C)C(=O)O[C@@H]1CC(C)(O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-764-699 |
0.62 |
C[C@H]1C[C@@H](O)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1
|
|
| MolPort-019-937-183 |
0.62 |
CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(CO)\CCC=C(C=O)C1OC
|
|
| MolPort-046-417-140 |
0.62 |
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]13C)C(=O)OC4)[C@@H]2OC(=O)CCC(O)=O
|
|
| MolPort-039-338-527 |
0.62 |
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-046-158-459 |
0.62 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C\C(C)=C\CC1)OC(=O)C(\CO)=C\CO
|
|
| MolPort-039-339-219 |
0.62 |
CC(=O)OC\C1=C\C[C@H](OC(C)=O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C1)OC(=O)C(\C)=C\CO
|
|
| MolPort-039-339-218 |
0.62 |
CC(=O)OC\C1=C\C[C@H](OC(C)=O)C(C)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(\C)=C\CO
|
|
| MolPort-001-740-199 |
0.62 |
CC(=O)O[C@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)[C@@H]2[C@H](OC(=O)C2=C)\C=C1\C
|
|
| MolPort-001-742-445 |
0.62 |
CC(=O)O[C@@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)C2[C@H](OC(=O)C2=C)\C=C1\C
|
|
| MolPort-046-761-876 |
0.62 |
C[C@H](O)[C@H](C)[C@@H]1OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)C[C@]2(O)CC(O)C(C(CC(O[C@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@@H]1C)O2)C(O)=O
|
|
| MolPort-006-395-745 |
0.62 |
CC(C)(C)CC(C)(C)N.CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
|
|
| MolPort-039-338-640 |
0.62 |
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-046-690-853 |
0.62 |
[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-039-338-642 |
0.62 |
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-021-804-665 |
0.61 |
CC1C(=O)OC2C3=C(C)C(O)CCC3(C)CCC12O
|
|
| MolPort-044-561-580 |
0.61 |
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
|
|
| MolPort-001-741-949 |
0.61 |
OCC(=C)C(=O)O[C@H]1C[C@@]23O[C@@H]2CC\C(CO[C@@H]3O)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-046-762-296 |
0.61 |
OC1CC(=CC(O)C1O)C(=O)OC1C=C(CC(O)C1O)C(O)=O
|
|
| MolPort-046-418-665 |
0.61 |
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-021-804-724 |
0.61 |
C\C1=C/C(O)C2C(CC(=C)C(O)CC1)OC(=O)C2=C
|
|
| MolPort-001-739-959 |
0.61 |
CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(=O)\C=C\[C@H](C)[C@H](O)C(C)C
|
|
| MolPort-001-742-309 |
0.61 |
CC1=C2[C@H]3OC(=O)C(=C)[C@]3(O)CC[C@@]2(C)CCC1
|
|
| MolPort-039-052-716 |
0.61 |
CC(=C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-039-338-309 |
0.61 |
CC(=C)C(=O)O[C@H]1CC2=C[C@@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-039-052-707 |
0.61 |
C\C=C(\C)C(=O)O[C@H]1CC2=C[C@@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-005-945-451 |
0.61 |
C\C=C(\C)C(=O)O[C@H]1CC2=CC(C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-028-744-489 |
0.61 |
COC(=O)C1=CC[C@]23CC[C@H]([C@]2(CC1)C(=O)OC)[C@](C)(OC3=O)\C=C\C=C(/C)C(O)=O
|
|
| MolPort-005-944-104 |
0.61 |
C\C=C\C=C\[C@H]1CO[C@@H](\C=C\C=C)[C@@H]1O
|
|
| MolPort-019-937-184 |
0.61 |
CC(C)CC(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-001-742-567 |
0.61 |
CC(=C)C(=O)O[C@H]1CC2=CC(C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-019-937-555 |
0.61 |
CC(C)CC(=O)OC1CC(C=O)=CCC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-019-937-557 |
0.61 |
CCC(C)C(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-338-296 |
0.61 |
C\C=C(\C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-046-697-140 |
0.61 |
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
|
|
| MolPort-046-033-497 |
0.61 |
C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-008-268-168 |
0.61 |
C\C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-009-684-169 |
0.61 |
C\C1=C\CCC2(C)OC2C2OC(=O)C(=C)C2CC1
|
|
| MolPort-003-959-089 |
0.61 |
CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-046-597-649 |
0.61 |
CCCC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
|
|
| MolPort-016-633-336 |
0.61 |
CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-002-529-747 |
0.61 |
CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
|
|
| MolPort-001-740-222 |
0.61 |
C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-002-508-940 |
0.61 |
CCCCCC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)C(C)=O
|
|
| MolPort-002-527-396 |
0.61 |
C\C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MCULE-9977863739 |
0.61 |
C12(C=CC(C)C([H])(C(C)CC)O1)OC1CC(OC(=O)C3C=C(C(O)C4([H])COCC(=CC=CC(C)C(OC5OC(C(OC6OC(C(O)C(OC)C6)C)C(OC)C5)C)C(C)=CC1)C34O)C)C2
|
|
| MCULE-4627485071 |
0.61 |
C1CC2(C)CCC3(O)C(C)C(=O)OC3C2=C(C)C1O
|
|
| MCULE-7792538419 |
0.61 |
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 |
0.61 |
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-3423268424 |
0.61 |
C1CC(C)=CC(O)C2C(=C)C(=O)OC2CC(=C)C1O
|
|
| MCULE-4661795097 |
0.61 |
C1C[C@@]2(CC[C@]3(O)[C@@H](C2=C(C)C1)OC(=O)C3=C)C
|
|
| MCULE-5789082582 |
0.61 |
O1C[C@H](/C=C/C=C/C)[C@H]([C@@H]1/C=C/C=C)O
|
|
| MCULE-1234424378 |
0.61 |
C1=C2C(O[C@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)C)C2)=O
|
|
| MCULE-2804901759 |
0.61 |
C1=C2C(O[C@@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)C)C2)=O
|
|
| MCULE-7379430730 |
0.61 |
C1=C2C(O[C@@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C2)=O
|
|
| MCULE-9380832184 |
0.61 |
C12C(=O)OC(CC(=C[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)/C(=C\C)/C)C1)C)C=2
|
|
| MCULE-5187157844 |
0.61 |
C1(=O)O[C@H]2[C@@H]([C@H](CC3=CC(CC(C)=C2)OC3=O)OC(=O)C(C)=C)C1=C
|
|
| MCULE-2969817322 |
0.61 |
C1=C2C(O[C@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C2)=O
|
|
| MCULE-3930398727 |
0.61 |
C1C=C(C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2O[C@@]2(C1)C
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| MCULE-7405855960 |
0.61 |
O=C1C(=C)[C@@]2(CCC(=CCC[C@]3(O[C@]3([H])[C@@]2([H])O1)C)C)[H]
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| MCULE-1187896247 |
0.61 |
[C@H]12[C@@H]3[C@@H](CCC(=CCC[C@]1(O2)C)C)C(C(=O)O3)=C
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|
| MCULE-1133406846 |
0.61 |
C12=CC(CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(CCCCC)=O)[C@]3(CC1)C)C=C2C)OC(C)=O
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| MCULE-4774272300 |
0.61 |
[C@@H]12[C@@H]3[C@@H](CCC(=CCC[C@]1(O2)C)C)C(C(=O)O3)=C
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| MCULE-7211931015 |
0.61 |
C12=C[C@@H](CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)[H])OC(CCC)=O
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| MCULE-5648274394 |
0.61 |
CC1CCC2C(C(OC2C2OC2(C)CCC=1)=O)=C
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[C@]12([H])O[C@]1(C)CCC=C(C)CC[C@@]1([H])C(C(=O)O[C@]21[H])=C
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|
| MCULE-5179814934 |
0.61 |
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
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| MCULE-1396534041 |
0.61 |
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
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| MCULE-1326720192 |
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C1(O)(CC(O)C(C)C(C(C)C)O1)C(C)C(O)C(C)C1([H])C(OC)C=CC=C(C)CC(C)C(O)C(C)C=C(C)C=C(OC)C(=O)O1
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0.61 |
[C@H]1([C@H](C)C=C(C=C(C(=O)O[C@]([C@H](C=CC=C(C)C[C@@H]1C)OC)([H])[C@@H](C)[C@@H](O)[C@@H]([C@]1(O)O[C@H](C(C)C)[C@@H](C)[C@H](O)C1)C)OC)C)O
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| MCULE-1694333331 |
0.61 |
C1(=O)C(OC)=CC(C)=C[C@@H](C)[C@H]([C@@H](CC(C)=CC=C[C@H](OC)[C@]([H])(O1)[C@@H](C)[C@@H](O)[C@H](C)[C@]1(O)O[C@H](C(C)C)[C@@H](C)[C@H](O)C1)C)O
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| MCULE-5878581025 |
0.61 |
O1[C@H](C(C)C)[C@H]([C@H](O)C[C@]1(O)[C@@H](C)[C@H](O)[C@H](C)[C@]1([H])[C@@H](OC)C=CC=C(C)C[C@H](C)[C@H](O)[C@H](C)C=C(C)C=C(OC)C(=O)O1)C
|
|
| MCULE-2313890542 |
0.61 |
[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
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|
| MCULE-4351037464 |
0.61 |
C1(=O)[C@@](O)(C)C[C@@H]([C@@H]2[C@H](OC(=O)C2=C)C=C(C)C(O)C1)OC(=O)C(C)=C
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| MCULE-9530980879 |
0.61 |
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-3491107929 |
0.61 |
CC(C1CCC2(C)C=1CC(O)C1C2(C)CCC2C1(C)CCC(C2(C)C)=O)CC(OC(C)=O)C1OC1(C)C
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|
| MCULE-1450642271 |
0.61 |
O=C(/C=C(/C=C(/C[C@@H](CCCC[C@H]1OC(=O)[C@@H]1CO)C)\C)\C)O
|
|
| MCULE-5288653087 |
0.61 |
C1C(C2(C(C(C=C(C2(O)CO)CO)OC(CCCCCCC)=O)C(C)(C)C1)C)O
|
|
| MCULE-4687597526 |
0.61 |
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
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|
| MCULE-6114611450 |
0.61 |
C12=C[C@@H](CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)[H])OC(C)=O
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|
| MCULE-1713731192 |
0.61 |
C1CC(C)(C)C2C(C(CO)(C(=CC2OC(CCCCC)=O)CO)O)(C1O)C
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|
| MCULE-7623122514 |
0.61 |
C12=CC(CCC1(C)C1C(C3CCC(C(C)=O)(OC(C)=O)C3(CC1)C)C=C2C)OC(C)=O
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|
| MCULE-3305666834 |
0.61 |
[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
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|
| MCULE-4145126779 |
0.61 |
C1=C(C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@]2(O[C@@H]2C)C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
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|
| MolPort-005-944-608 |
0.61 |
CC(=O)OC1CC2C(C=C1C)C(C(CC2(C)O)OC(=O)C(\CO)=C\CO)C(=C)C(O)=O
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| MolPort-046-426-155 |
0.61 |
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
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CC(=O)OCC12C(O)C(=O)C(C)=CC1OC1C(O)CC2(C)C11CO1
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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
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0.61 |
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
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CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)C=C(C)C=C(OC)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C
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| MolPort-042-676-362 |
0.61 |
CO[C@H]1\C=C/C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(\C)/C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C
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|
| MolPort-001-739-960 |
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CO[C@H]1\C=C\C=C(C)\C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C
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|
| MolPort-023-276-071 |
0.61 |
CO[C@H]1\C=C/C=C(C)/C[C@H](C)[C@H](O)[C@H](C)\C=C(/C)\C=C(OC)/C(=O)OC1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)C(C)C
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| MolPort-046-509-020 |
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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
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CC(=C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)CC(O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12
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CC(CC(OC(C)=O)C1OC1(C)C)C1=C2CC(O)C3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1
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CO[C@H]1[C@@H]2[C@H](OC(=O)C2=C)\C=C(CO)\CC\C=C(C=O)/[C@@H]1OC(=O)C(C)=C
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0.61 |
C[C@H](CC(OC(C)=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
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0.61 |
CCOC(=O)CCCCCCC\C=C/C=C/C(O)C\C=C/CC
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| MolPort-044-561-118 |
0.61 |
C[C@H](CCCC[C@H]1OC(=O)[C@@H]1CO)C\C(C)=C\C(\C)=C\C(O)=O
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|
| MolPort-044-183-328 |
0.61 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2OC(=O)CCC\C=C/C[C@H]12
|
|
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0.61 |
C[C@H](C[C@H](OC(C)=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
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
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|
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CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](CC(=O)O3)OC)[C@@H]12
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| MolPort-002-507-110 |
0.61 |
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
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0.61 |
CCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
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CCCCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
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|
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CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
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| MolPort-039-338-274 |
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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
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| MolPort-039-141-967 |
0.61 |
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
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|
| MolPort-019-940-195 |
0.61 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
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|
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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
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|
| MolPort-039-338-306 |
0.61 |
COC(=O)C1=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@H]\1OC(C)=O
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|
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0.60 |
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
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|
| MolPort-046-690-252 |
0.60 |
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2
|
|
| MolPort-044-878-307 |
0.60 |
CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
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|
| MolPort-046-793-123 |
0.60 |
CC[C@@H](C)[C@@H]1OC2(CC[C@H]1C)C[C@@H]1C[C@H](C\C=C(C)\[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@H](O)[C@H](C)O4)[C@H](C)O3)[C@H](C)\C=C\C=C3/CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2
|
|
| MolPort-046-684-073 |
0.60 |
CCC(C)C1OC2(CCC1C)CC1CC(C\C=C(C)\C(OC3CC(OC)C(OC4CC(OC)C(O)C(C)O4)C(C)O3)C(C)\C=C\C=C3/COC4C(O)C(C)=CC(C(=O)O1)C34O)O2
|
|
| MolPort-046-682-160 |
0.60 |
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)/[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C/C=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
|
|
| MolPort-046-417-045 |
0.60 |
CO[C@H]1C[C@H](OC2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]2[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]5C[C@@H](C\C=C2/C)O[C@@]2(CC[C@H](C)[C@H](O2)C(C)C)C5)[C@]34O)O[C@@H](C)[C@@H]1O.CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)C(O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
|
|
| MolPort-020-015-936 |
0.60 |
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](OC3C[C@H](OC)[C@@H](OC4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
|
|
| MolPort-035-765-959 |
0.60 |
[2H]C1[C@@H]([2H])[C@]2(C[C@@H]3C[C@@H](C\C=C(C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C4/CO[C@@H]5[C@H](O)C(C)=CC(C(=O)O3)[C@]45O)O2)O[C@H]([C@H](C)CC)[C@H]1C
|
|
| MolPort-023-276-055 |
0.60 |
CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]2[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=CC(C(=O)O[C@H]5C[C@@H](C\C=C2/C)O[C@@]2(CC[C@H](C)[C@H](O2)C(C)C)C5)[C@]34O)O[C@@H](C)[C@@H]1O.CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=CC(C(=O)O1)[C@]34O)O2
|
|
| MolPort-046-788-463 |
0.60 |
[2H]C([2H])([2H])C(O)(CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@@H](OCCCO)[C@H](O)C1=C)C([2H])([2H])[2H]
|
|
| MolPort-028-744-988 |
0.60 |
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@@H](OCCCO)[C@H](O)C1=C
|
|
| MolPort-006-393-960 |
0.60 |
C\C(\C=C\C12OC1(C)CCCC2(C)C)=C/C=C/C(/C)=C/C(O)=O
|
|
| MolPort-046-426-259 |
0.60 |
C\C(\C=C\C12OC1(C)CCCC2(C)C)=C/C=C/C(/C)=C\C(O)=O
|
|
| MolPort-019-931-744 |
0.60 |
CCCC(O)CC1CC(O)\C=C\C(O)C(O)C(C)(C)C(=O)O1
|
|
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0.60 |
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
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|
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CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O
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|
| MolPort-039-145-144 |
0.60 |
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
|
|
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0.60 |
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C([C@@H](O)C[C@]13C)C(=O)OC4)[C@@H]2O
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|
| MolPort-001-742-193 |
0.60 |
COCC1=C2[C@H](C[C@@](C)(OC(C)=O)[C@@]3(O)CC[C@@](C)(O)[C@H](OC(C)=O)C23OC1=O)OC(=O)C(C)=C
|
|
| MolPort-005-944-878 |
0.60 |
C\C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)C(C)[C@@H]12
|
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| MolPort-003-941-761 |
0.60 |
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
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| MolPort-046-153-803 |
0.60 |
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
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| MolPort-001-742-637 |
0.60 |
CC(=O)OC\C=C(/C)C(=O)OC1CC2(C)OC(=CC2=O)\C(C)=C\C2OC(=O)C(=C)C12
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| MolPort-002-709-801 |
0.60 |
COC(C)(C)CCCC(C)C\C=C\C(\C)=C\C(=O)OC(C)C
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|
| MolPort-019-877-944 |
0.60 |
COC(C)(C)CCC[C@H](C)C\C=C\C(\C)=C\C(=O)OC(C)C
|
|
| MolPort-009-675-646 |
0.60 |
CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12
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|
| MolPort-046-153-173 |
0.60 |
COCC1C2C(OC1=O)C1OC1(C)CC\C=C(C)\CC2OC(C)=O
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|
| MolPort-039-339-204 |
0.60 |
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
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| MolPort-006-394-822 |
0.60 |
[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
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| MolPort-006-394-569 |
0.60 |
CC(O)C(C)(C)C(=O)OC1CC(C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
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| MolPort-001-739-990 |
0.60 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
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|
| MolPort-046-762-778 |
0.60 |
CC(O)C(C)C1OC1CC1COC(C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)C(O)C1O
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|
| MolPort-021-783-327 |
0.60 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-023-220-339 |
0.60 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
|
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| MolPort-046-195-363 |
0.60 |
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
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|
| MolPort-046-196-750 |
0.60 |
CC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@H]12
|
|
| MolPort-002-507-345 |
0.60 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-046-762-839 |
0.60 |
CC[C@H](C)C(=O)O[C@@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-046-153-031 |
0.60 |
CC(=O)OC1CC(O)C(C)(C)C2CC(OC(C)=O)C3(C)C(CCC4(C)C(CC=C34)C3COC(C(O)C3)C(C)(C)O)C12C
|
|
| MolPort-028-751-166 |
0.60 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12
|
|
| MolPort-019-918-667 |
0.60 |
CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@H]12
|
|
| MolPort-027-564-866 |
0.60 |
[2H]C([2H])([2H])C(C)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-046-684-152 |
0.60 |
CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(C)=O
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|
| MolPort-002-885-840 |
0.60 |
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-044-637-532 |
0.60 |
CC(C)C12CCC(C)(O1)C(CC\C(C)=C/CC\C(C)=C\C2)OC(C)=O
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| MolPort-044-754-178 |
0.60 |
CC(C)[C@]12CC[C@@](C)(O1)[C@@H](CC\C(C)=C\CC\C(C)=C/C2)OC(C)=O
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|
| MolPort-009-019-312 |
0.60 |
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12
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|
| MolPort-003-850-248 |
0.60 |
[2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)C([2H])([2H])[2H]
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| MolPort-003-848-065 |
0.60 |
CC(O)C(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
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| MolPort-003-849-214 |
0.60 |
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
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| MolPort-003-666-882 |
0.60 |
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
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| MolPort-046-790-454 |
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CC(=O)O[C@@H]1[C@@H](OC(=O)C(C)=C)[C@@H]2[C@H](OC(=O)C2=C)\C=C(CO)\CC\C=C1/C=O
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0.60 |
CCC(C)C1OC2(CC3CC(C\C=C(C)\C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)\C=C/C=C4\COC5C(O)C(C)=CC(C(=O)O3)C45O)O2)C=CC1C
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CCC(C)C(=O)O[C@@H]1[C@@H]2[C@H](CC(C)=C1[C@H](C)CCCO)OC(=O)[C@]21C[C@]23C(OC(C)=O)[C@@H]1C(C)=C2C[C@@H]1[C@@H](C[C@H]3C)OC(=O)C1=C
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C\C=C(/CO)C(=O)OC\C(=C/C)C(=O)O[C@@H]1C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C/[C@@H]2OC(=O)C(=C)[C@H]12
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| MolPort-001-742-457 |
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OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C=O)=C/CC1
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OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C\C(C=O)=C/CC1
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C\C=C(/C)C(=O)OC1CC2C(O)CC3(C)C(=CCC4C5CCCC(C)(CO)C5CCC34C)C2CC1(C)C
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CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2C[C@H]3C(OC(=O)C3=C)C=C(C)[C@@H]12
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| MCULE-3492821870 |
0.60 |
[C@]12(O)C3=CC=C[C@H](C)[C@@H](C(=CC[C@H]4O[C@@]5(CC[C@H](C)[C@@]([H])([C@@H](C)CC)O5)C[C@H](C4)OC(=O)[C@@H]1C=C(C)[C@@H](O)[C@]2(OC3)[H])C)O[C@@H]1O[C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](OC)C2)C)[C@@H](OC)C1)C
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[C@]12(O)C3=CC=C[C@H](C)[C@H](O[C@]4([H])O[C@@H](C)[C@H](O[C@]5([H])O[C@@H](C)[C@H](O)[C@@H](OC)C5)[C@@H](OC)C4)C(C)=CC[C@]4([H])C[C@@H](C[C@]5(CC[C@H](C)[C@@]([H])([C@H](CC)C)O5)O4)OC(=O)[C@]1([H])C=C(C)[C@@H](O)[C@@]2([H])OC3
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C12(O)C3=CC=CC(C)C(C(=CCC4OC5(CCC(C)C([H])(C(C)CC)O5)CC(C4)OC(=O)C1C=C(C)C(O)C2(OC3)[H])C)OC1OC(C(OC2OC(C(O)C(OC)C2)C)C(OC)C1)C
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[C@]12([H])C=C(C)[C@H]([C@@]3([H])OCC(=CC=C[C@H](C)[C@@H](C(C)=CC[C@]4([H])C[C@H](OC1=O)C[C@@]1(O4)CC[C@@H]([C@@H]([C@@H](C)CC)O1)C)OC1C[C@H](OC)[C@H]([C@H](C)O1)OC1C[C@H](OC)[C@H]([C@H](C)O1)O)[C@@]23O)O
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[C@]12([H])C=C(C)[C@H]([C@@]3([H])OCC(=CC=C[C@H](C)[C@@H](C(C)=CC[C@]4([H])C[C@H](OC1=O)C[C@@]1(O4)CC[C@@H]([C@@]([H])([C@@H](C)CC)O1)C)O[C@H]1C[C@H](OC)[C@H]([C@H](C)O1)O[C@H]1C[C@H](OC)[C@H]([C@H](C)O1)O)[C@@]23O)O
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CC(CCC[C@H]([C@H]1CC[C@]2(/C(=C/C=C3\C(=C)[C@H](O)[C@@H](OCCCO)[C@@H](O)C\3)/CCC[C@]12C)[H])C)(O)C
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C(C1OCC(O)C1O)(COC(CCCCCCCC=CCCCCCCCC)=O)(O)[H]
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[C@@H]1(O)C/C(=C/C=C2\CCC[C@@]3(C)[C@@]\2([H])CC[C@@H]3[C@H](C)CCCC(O)(C)C)/C(=C)[C@@H](O)[C@@H]1OCCCO
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| MCULE-5470759504 |
0.60 |
C1(OC(=O)CC)C(C)=CCC(C(=C)C)C1
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| MCULE-2588682863 |
0.60 |
C1C(OC(=O)C(C)(C)C(C(O)C=CC1O)O)CC(CCC)O
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| MCULE-4446927847 |
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[C@H]1(O)C[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
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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
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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
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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
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0.60 |
C1C(=O)C2(OC=1C(=CC1OC(C(C1C(C2)OC(=O)/C(/C)=C/COC(=O)C)=C)=O)C)C
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| MCULE-9262524932 |
0.60 |
C(OC(C)C)(=O)C=C(C)C=CCC(C)CCCC(C)(C)OC
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| MCULE-2079295473 |
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C(OC(C)C)(=O)/C=C(\C)/C=C/C[C@@H](C)CCCC(C)(C)OC
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| MCULE-5340136995 |
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C(C)(C)(OC)CCC[C@H](C)CC=CC(C)=CC(=O)OC(C)C
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|
| MCULE-2876424448 |
0.60 |
C(OC(C)C)(=O)/C=C(\C)/C=C/CC(C)CCCC(C)(C)OC
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|
| MCULE-9202862428 |
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C(C)(C)(OC)CCC[C@H](C)CC=CC(C)=CC(=O)OC(C)C
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| MCULE-1183269623 |
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C1(C)CCC(C2(C)OC(CC2)(C(C)C)CC=C(C)CCC=1)OC(C)=O
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| MCULE-3110080775 |
0.60 |
C1(C)=CCC2(O[C@](C)(CC2)[C@H](OC(=O)C)CCC(C)=CCC1)C(C)C
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| MCULE-4466026241 |
0.60 |
C[C@@]12O[C@@](C(C)C)(CC=C(CCC=C(CC[C@H]1OC(=O)C)C)C)CC2
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0.60 |
C1C(C2(C3CCC4(C(C3(C)C(OC(=O)C)CC2C(C1O)(C)C)=CCC4C1COC(C(C)(O)C)C(O)C1)C)C)OC(=O)C
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| MCULE-1891722858 |
0.60 |
C12=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
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| MCULE-7087866108 |
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C1[C@H](OC([C@@H](C)CC)=O)[C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)=C[C@@H]1C
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| MCULE-8390617062 |
0.60 |
C12=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
|
|
| MCULE-4740518260 |
0.60 |
C12=C[C@H](C)C[C@H](OC([C@@H](C)CC)=O)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
|
|
| MCULE-5661885893 |
0.60 |
CC[C@@H](C(=O)O[C@@H]1[C@@]2([H])C(C=C[C@@H]([C@@H]2CC[C@H]2OC(=O)C[C@H](O)C2)C)=CCC1)C
|
|
| MCULE-4325649241 |
0.60 |
C12=CC(C)CC(OC(C(C)CC)=O)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
|
|
| MCULE-6419704114 |
0.60 |
CCC(C(OC1C2C(C=CC(C2CCC2OC(=O)CC(O)C2)C)=CCC1)=O)C
|
|
| MCULE-8429357063 |
0.60 |
C1(C[C@H](O)C[C@@H](CC[C@H]2[C@@H](C)C=CC3=CCC[C@H](OC([C@@H](C)CC)=O)[C@@]32[H])O1)=O
|
|
| MCULE-7655940373 |
0.60 |
C12=CC(C)CC(OC(=O)C(C)(C)CC)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
|
|
| MCULE-1499638877 |
0.60 |
CC(C(C1C(CC2C(O)C(O)C(CC(=CC(OCCCCCCCCC(=O)O)=O)C)OC2)O1)C)O
|
|
| MCULE-1584743999 |
0.60 |
[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
|
|
| MCULE-5198741898 |
0.60 |
[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-5325377420 |
0.60 |
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-4092375452 |
0.60 |
C1C=C(C)CC(OC(=O)C)C2C(COC)C(=O)OC2C2OC2(C)C1
|
|
| MCULE-6582732406 |
0.60 |
O1[C@]([H])([C@@H](C)CC)[C@@H](C)C=C[C@@]21C[C@]1(OC(=O)[C@]3([H])C=C(C)[C@@H](O)[C@@]4([H])OCC(=CC=C[C@H](C)[C@H](O[C@]5([H])O[C@@H](C)[C@H](O[C@@]6([H])C[C@H](OC)[C@@H](O)[C@H](C)O6)[C@@H](OC)C5)C(C)=CC[C@]([H])(C1)O2)[C@@]34O)[H]
|
|
| MCULE-6632797081 |
0.60 |
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
|
|
| MCULE-4093963649 |
0.60 |
O1[C@H](C(C)C)[C@@H](C)C=C[C@@]21C[C@]1(OC(=O)[C@]3([H])C=C(C)[C@@H](O)[C@@]4([H])OCC(=CC=C[C@H](C)[C@H](O[C@]5([H])O[C@@H](C)[C@H](O[C@@]6([H])C[C@H](OC)[C@@H](O)[C@H](C)O6)[C@@H](OC)C5)C(C)=CC[C@]([H])(C1)O2)[C@@]34O)[H]
|
|
| MCULE-4620902500 |
0.60 |
O1[C@]([H])([C@@H](C)CC)[C@@H](C)C=C[C@@]21C[C@]1(OC(=O)[C@]3([H])C=C(C)[C@@H](O)[C@@]4([H])OCC(=CC=C[C@H](C)[C@H](O[C@]5([H])O[C@@H](C)[C@H](O[C@@]6([H])C[C@H](OC)[C@@H](O)[C@H](C)O6)[C@@H](OC)C5)C(C)=CC[C@]([H])(C1)O2)[C@@]34O)[H].O1[C@H](C(C)C)[C@@H](C)C=C[C@@]21C[C@]1(OC(=O)[C@]3([H])C=C(C)[C@@H](O)[C@@]4([H])OCC(=CC=C[C@H](C)[C@H](O[C@]5([H])O[C@@H](C)[C@H](O[C@@]6([H])C[C@H](OC)[C@@H](O)[C@H](C)O6)[C@@H](OC)C5)C(C)=CC[C@]([H])(C1)O2)[C@@]34O)[H]
|
|
| MCULE-3089656718 |
0.60 |
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](OC)C[C@H](O[C@@H]3C(=CC[C@]4(O[C@@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)C[C@@H](OC(=O)[C@@]5(C=C([C@@H](O)[C@@]6([C@@]5(O)C(CO6)=CC=C[C@@H]3C)[H])C)[H])C4)[H])C)O[C@H]2C)C[C@H](OC)[C@H]1O
|
|
| MCULE-2702437708 |
0.60 |
C12([H])CC3C(C=C(C)C1([H])C(CC2(C)O)OC(C)=O)OC(=O)C3=C
|
|
| MCULE-1316729655 |
0.60 |
CC=C(C)C(OC1CC2C(CC3(C)C(C2CC1(C)C)=CCC1C3(CCC2C1CCCC2(CO)C)C)O)=O
|
|
| MCULE-3604308346 |
0.60 |
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](OC)C[C@H](O[C@@H]3C(=CC[C@]4(O[C@@]5(C=C[C@H](C)[C@@H](C(C)C)O5)C[C@@H](OC(=O)[C@@]5(C=C([C@@H](O)[C@@]6([C@@]5(O)C(CO6)=CC=C[C@@H]3C)[H])C)[H])C4)[H])C)O[C@H]2C)C[C@H](OC)[C@H]1O
|
|
| MCULE-3052348589 |
0.60 |
C1(=O)O[C@@H]2[C@@H]([C@@H](CC(C)=CC[C@H](OC(C)=O)C(C)=C2)OC(=O)/C(=C/C)/COC(=O)/C(/CO)=C/C)C1=C
|
|
| MCULE-7846561416 |
0.60 |
[C@@]123CC[C@H]([C@@]1(OC(=O)C)CCC(C)=CC2)[C@@](C)(/C=C/C=C(\C)/C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)OC3=O
|
|
| MCULE-5937685751 |
0.60 |
[C@@]12([H])C[C@H]3C(C=C(C)[C@@]1([H])[C@H](C[C@@]2(C)O)OC(C)=O)OC(=O)C3=C
|
|
| MCULE-6004922544 |
0.60 |
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](OC)C[C@H](O[C@@H]3C(=CC[C@]4(O[C@@]5(C=C[C@H](C)[C@@H]([C@H](C)CC)O5)C[C@@H](OC(=O)[C@@]5(C=C([C@@H](O)[C@@]6([C@@]5(O)C(CO6)=CC=C[C@@H]3C)[H])C)[H])C4)[H])C)O[C@H]2C)C[C@H](OC)[C@H]1O.C[C@@H]1O[C@@H](O[C@@H]2[C@@H](OC)C[C@H](O[C@@H]3C(=CC[C@]4(O[C@@]5(C=C[C@H](C)[C@@H](C(C)C)O5)C[C@@H](OC(=O)[C@@]5(C=C([C@@H](O)[C@@]6([C@@]5(O)C(CO6)=CC=C[C@@H]3C)[H])C)[H])C4)[H])C)O[C@H]2C)C[C@H](OC)[C@H]1O
|
|
| MCULE-6232978473 |
0.60 |
C1(=O)O[C@H]2[C@@H]([C@@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-3034829989 |
0.60 |
CO[C@]1(C[C@@](O[C@@](C)([C@@]1(O[C@]1(C[C@@]([C@@](O)([C@](C)(O1)[H])[H])(OC)[H])[H])[H])[H])(O[C@]1([C@](C=CC=C2CO[C@]3([C@@]2([C@](C(O[C@]2(C[C@](O[C@@]4(C=C[C@](C)([C@@]([C@@](C)(CC)[H])(O4)[H])[H])C2)(CC=C1C)[H])[H])=O)(C=C(C)[C@]3(O)[H])[H])O)[H])(C)[H])[H])[H])[H]
|
|
| MCULE-8617095272 |
0.60 |
C1(=O)O[C@H]2[C@@H]([C@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-3392078385 |
0.60 |
C1(C(=O)CC2(O)CC(C(O)(C)C)OC2C=1CO)/C=C/C=C/CC(O)C
|
|
| MCULE-8720311593 |
0.60 |
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-5537477153 |
0.60 |
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-9996412338 |
0.60 |
C12OC(=O)C(C)(C3C(C(O)=O)C45CC(=C)C(O)(CCC4C3=C1)C5)C2O
|
|
| MCULE-7864191553 |
0.60 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](O)C([C@@H](C)CCCOC(=O)C)=C(C)C2
|
|
| MCULE-4115143726 |
0.60 |
O[C@@H]1C(=C(C)C[C@@]2([H])OC(=O)C(=C)[C@@]12[H])[C@@H](C)CCCO
|
|
| MCULE-2203626367 |
0.60 |
C1(C)CC2OC(=O)C(=C)C2C(O)C=1C(C)CCCO
|
|
| MCULE-9566808009 |
0.60 |
[C@]12([H])CC(=O)C(C)=C1C[C@H](C(OC(C)=O)(C)C)C(OC(/C(=C\C)/C)=O)C[C@@H]2C
|
|
| MCULE-4643424882 |
0.60 |
C1(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C(O)C(C)CC(C)=CC=CC2OC)C)OC(C(C)C(OC(=O)C=CC(=O)O)C1)C(C)C
|
|
| MCULE-9647398356 |
0.60 |
C123C(=O)OCC1(OC(C)C2=O)C(C)(CC1C(C)=C2CC(OC(C)(C)C2=CCC13C)=O)C(=O)O
|
|
| MCULE-3449742522 |
0.60 |
C1C(=O)C(C)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)C)C[C@](O)(C)C=1
|
|
| MCULE-6001467508 |
0.60 |
[C@]12(O)C3=CC=C[C@H](C)[C@@H](C(=CC[C@@]4([H])O[C@@]5(C=C[C@H](C)[C@@H](C6CCCCC6)O5)C[C@]([H])(C4)OC(=O)[C@]1([H])C=C(C)[C@@H](O)[C@@]2([H])OC3)C)O[C@@H]1O[C@H]([C@H](O[C@@H]2O[C@H]([C@H](O)[C@@H](OC)C2)C)[C@@H](OC)C1)C
|
|
| MCULE-2937299646 |
0.60 |
O=C1[C@@]2(C=C([C@H]([C@]3(OCC(=CC=C[C@@H]([C@H](C(=CC[C@]4(O[C@]5(O[C@H](C6CCCCC6)[C@@H](C)C=C5)C[C@@](C4)([H])O1)[H])C)O[C@H]1C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O1)C)[C@@]23O)[H])O)C)[H]
|
|
| MCULE-8248286738 |
0.60 |
[C@H]1(OC)C[C@@](O[C@@H]2C(=CC[C@@]3([H])O[C@]4(O[C@H](C5CCCCC5)[C@@H](C)C=C4)C[C@](OC(=O)[C@@]4([H])[C@]5(O)C(CO[C@]5([H])[C@H](O)C(C)=C4)=CC=C[C@@H]2C)([H])C3)C)([H])O[C@@H](C)[C@@H]1O[C@@]1([H])C[C@H](OC)[C@@H](O)[C@H](C)O1
|
|
