| MolPort-035-752-552 |
0.86 |
COC(=O)C1CCCC(C1)OC(=O)C1=COC=C1
|
|
| MCULE-7145623618 |
0.86 |
COC(C1CC(OC(C2=COC=C2)=O)CCC1)=O
|
|
| MCULE-2736142415 |
0.86 |
C1[C@H](OC(=O)C2C=COC=2)[C@]2(C)[C@]3(C(O)(C1)C)OC(C)(C)[C@H](C[C@@H]2OC(C1=COC=C1)=O)C3
|
|
| MolPort-001-740-314 |
0.86 |
CC1(C)O[C@]23C[C@H]1C[C@H](OC(=O)C1=COC=C1)[C@]2(C)[C@H](CCC3(C)O)OC(=O)C1=COC=C1
|
|
| MolPort-005-664-733 |
0.85 |
CC(OC(=O)C1=COC=C1)C(=O)C12CC3CC(CC(C3)C1)C2
|
|
| MCULE-8537101376 |
0.85 |
CC(C(C12CC3CC(C1)CC(C3)C2)=O)OC(C1=COC=C1)=O
|
|
| MCULE-6798395080 |
0.84 |
[C@@H]1(OC(=O)C2=COC=C2)[C@H](OC(C(C)CC)=O)[C@@]2(COC(C)=O)[C@@H](OC(C3C=COC=3)=O)C[C@H]3C(C)(C)O[C@@]2([C@@H]3OC(=O)C)[C@](O)(C)C1
|
|
| MolPort-021-804-805 |
0.83 |
CCC(C)C(=O)O[C@H]1[C@H](C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)C4=COC=C4)[C@]12COC(C)=O)[C@H]3OC(C)=O)OC(=O)C1=COC=C1
|
|
| MCULE-3011326471 |
0.83 |
O=C(C1=COC=C1)OCCC1OCCC1
|
|
| MolPort-023-183-897 |
0.83 |
O=C(OCCC1CCCO1)C1=COC=C1
|
|
| MolPort-021-804-804 |
0.81 |
CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(=O)C1=COC=C1)[C@@H]2OC(=O)C1=COC=C1)OC(=O)C1=COC=C1
|
|
| MCULE-7799341859 |
0.81 |
[C@@H]1(OC(=O)C2=COC=C2)[C@H](OC(=O)C2C=COC=2)[C@@]2(COC(C)=O)[C@@H](OC(C3C=COC=3)=O)C[C@H]3C(C)(C)O[C@@]2([C@@H]3OC(=O)C)[C@](O)(C)C1
|
|
| MCULE-2048752683 |
0.78 |
O=C(C1CC1)COC(C1=COC=C1)=O
|
|
| MolPort-023-231-430 |
0.78 |
O=C(COC(=O)C1=COC=C1)C1CC1
|
|
| MCULE-3022341507 |
0.76 |
CC1=C(C(OC2C(C)(C)C3C2CCO3)=O)C=CO1
|
|
| MolPort-028-280-576 |
0.76 |
CC1=C(C=CO1)C(=O)OC1C2CCOC2C1(C)C
|
|
| MCULE-5760112913 |
0.74 |
COC1CC(OC(C2=C(C)OC=C2)=O)CC(OC)C1
|
|
| MCULE-5346930207 |
0.74 |
CC1=C(C(OCCC2OCCC2)=O)C=CO1
|
|
| MolPort-028-308-224 |
0.74 |
CC1=C(C=CO1)C(=O)OCCC1CCCO1
|
|
| MolPort-029-915-548 |
0.74 |
COC1CC(CC(C1)OC(=O)C1=C(C)OC=C1)OC
|
|
| MCULE-8092003694 |
0.73 |
[C@@H]1(O)C[C@@]2([H])[C@]3(C)C[C@H](C4C=COC=4)O[C@@]43C(=O)O[C@@H](C4)[C@]2([H])[C@H](C(=O)O)C1
|
|
| MCULE-7638162692 |
0.73 |
C12CC(C3C4CC5(C(C)(C3C1)CC(C1=COC=C1)O5)C(O4)=O)C(=O)O2
|
|
| MCULE-9251257872 |
0.73 |
[C@@H]12OC(=O)[C@@H]([C@@]3([H])[C@H]4OC(=O)[C@]5(O[C@@H](C6C=COC=6)C[C@@]5(C)[C@]3([H])C1)C4)C2
|
|
| MCULE-6436611476 |
0.73 |
[C@@H]12OC(=O)[C@@H]([C@@]3([H])[C@H]4OC(=O)[C@]5(O[C@@H](C6C=COC=6)C[C@@]5(C)[C@]3([H])C1)C4)C2
|
|
| MolPort-020-006-038 |
0.73 |
CC12CC(OC11CC(OC1=O)C1C3CC(CC21)OC3=O)C1=COC=C1
|
|
| MolPort-035-705-825 |
0.73 |
C[C@@]12C[C@@H](O[C@@]11C[C@H](OC1=O)[C@@H]1[C@@H](C[C@H](O)C[C@@H]21)C(O)=O)C1=COC=C1
|
|
| MolPort-035-705-826 |
0.73 |
C[C@@]12C[C@@H](O[C@@]11C[C@H](OC1=O)[C@@H]1[C@H]3C[C@@H](C[C@@H]21)OC3=O)C1=COC=C1
|
|
| MCULE-8524601773 |
0.72 |
O=C(C1=COC=C1)OC1C(C#N)CCCC1
|
|
| MCULE-5458987949 |
0.72 |
COC(C[C@H](OC(C1=COC=C1)=O)C)=O
|
|
| MCULE-6825434198 |
0.72 |
CC1=C(C(OCCCC2OCCC2)=O)C=CO1
|
|
| MolPort-020-039-942 |
0.72 |
O=C(OC1CCCCC1C#N)C1=COC=C1
|
|
| MolPort-029-918-518 |
0.72 |
CC1=C(C=CO1)C(=O)OCCCC1CCCO1
|
|
| MolPort-029-919-992 |
0.72 |
COC(=O)C[C@@H](C)OC(=O)C1=COC=C1
|
|
| MolPort-005-612-341 |
0.71 |
CC(OC(=O)C1=C(C)OC(C)=C1)C(=O)C12CC3CC(CC(C3)C1)C2
|
|
| MCULE-7237544733 |
0.71 |
CC(C(C12CC3CC(C1)CC(C3)C2)=O)OC(C1=C(C)OC(C)=C1)=O
|
|
| MolPort-027-927-374 |
0.70 |
CC1CCC(COC(=O)C2=COC=C2)O1
|
|
| MCULE-4404810494 |
0.70 |
CC1OC(COC(C2=COC=C2)=O)CC1
|
|
| MCULE-8547396508 |
0.69 |
CC1=C(C(OCC(C2CC2)=O)=O)C=CO1
|
|
| MolPort-023-231-429 |
0.69 |
CC1=C(C=CO1)C(=O)OCC(=O)C1CC1
|
|
| MolPort-046-509-070 |
0.68 |
CC(=O)O[C@H]1C[C@@H]2C(=O)O[C@@H](C[C@@]2(C)[C@@H]2C[C@@H]3C[C@H]([C@@H]12)C(=O)O3)C1=COC=C1
|
|
| MCULE-4779233433 |
0.68 |
[C@@H]12OC(=O)[C@@H]([C@@]3([H])[C@@H](OC(=O)C)C[C@]4([H])C(=O)O[C@H](C5C=COC=5)C[C@@]4(C)[C@]3([H])C1)C2
|
|
| MCULE-2585834276 |
0.68 |
C12(C)CC(C3C=COC=3)OC(=O)C1([H])CCC1(C)C(CC(OC(C)=O)C(=O)C21[H])C(OC)=O
|
|
| MCULE-5490099839 |
0.68 |
O=C(OC)[C@H]1[C@@]2(CC[C@]3(C(=O)O[C@H](C4C=COC=4)C[C@]3(C)[C@@]2([H])C(=O)[C@@H](OC(=O)C)C1)[H])C
|
|
| MCULE-6889942711 |
0.68 |
O=C(OC)[C@H]1[C@@]2(CC[C@]3(C(=O)O[C@H](C4C=COC=4)C[C@]3(C)[C@@]2([H])C(=O)[C@@H](OC(=O)C)C1)[H])C
|
|
| MolPort-035-705-829 |
0.67 |
C[C@@]12C[C@H](OC(=O)[C@H]1C[C@@H]1OC(=O)[C@@H]3C[C@H](O)C[C@@H]2[C@H]13)C1=COC=C1
|
|
| MCULE-8991545911 |
0.67 |
[C@@H]1(O)C[C@@]2([H])[C@@]3(C[C@@H](C4C=COC=4)OC(=O)[C@@]3([H])C[C@@H]3OC(=O)[C@@H]([C@]23[H])C1)C
|
|
| MCULE-2086472325 |
0.67 |
[C@@H]1(O)C[C@@]2([H])[C@@]3(C[C@@H](C4C=COC=4)OC(=O)[C@@]3([H])CC(=O)[C@]2(O)[C@H](C(O)=O)C1)C
|
|
| MCULE-3774089122 |
0.67 |
C1(=O)[C@H](OC(=O)C2C=COC=2)[C@]2(C)[C@]3(C(=C1)C)OC([C@H](C[C@@H]2OC(C1C=CC=CC=1)=O)C3)(C)C
|
|
| MolPort-044-727-714 |
0.67 |
CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)C1=COC=C1
|
|
| MolPort-039-052-549 |
0.67 |
C[C@@]12C[C@H](OC(=O)[C@H]1CC(=O)[C@]1(O)[C@@H](C[C@H](O)C[C@@H]21)C(O)=O)C1=COC=C1
|
|
| MolPort-038-386-471 |
0.67 |
CC1=CC(=O)[C@H](OC(=O)C2=COC=C2)[C@@]2(C)[C@H](C[C@@H]3C[C@]12OC3(C)C)OC(=O)C1=CC=CC=C1
|
|
| MolPort-029-913-933 |
0.66 |
O=C(OCC1(CCOCC1)C#N)C1=COC=C1
|
|
| MolPort-019-936-773 |
0.66 |
CC1CC2OCC3(O)CCC(O)C(C23CO)C11CC(OC1=O)C1=COC=C1
|
|
| MCULE-2216124301 |
0.66 |
O=C(C1=COC=C1)OCC1(C#N)CCOCC1
|
|
| MCULE-6264202086 |
0.66 |
C1C(O)C2C3(C(=O)OC(C4C=COC=4)C3)C(C)CC3OCC(O)(C23CO)C1
|
|
| MCULE-6999783882 |
0.66 |
[C@@]123CC[C@](C(=O)O1)(C)[C@@]2(C)CC[C@@H](C)[C@@]13C[C@@H](OC1=O)C1C=COC=1
|
|
| MCULE-6334359401 |
0.66 |
C1C(=O)O[C@H]([C@]2(C)CCC3[C@]4(C(=O)[C@]([C@H]5O[C@@]35C21)(O)[C@@H](OC(=O)C)C(C)(C)[C@]4([H])[C@H](C(=O)OC)O)C)C1=COC=C1
|
|
| MCULE-7987175273 |
0.66 |
C1C(=O)O[C@H]([C@]2(C)CCC3[C@]4(C(=O)[C@]([C@H]5O[C@@]35C21)(O)[C@@H](OC(=O)CC)C(C)(C)[C@]4([H])[C@H](C(=O)OC)O)C)C1=COC=C1
|
|
| MCULE-6085556337 |
0.66 |
C1C(=O)O[C@H]([C@]2(C)CCC3[C@]4(C(=O)[C@]([C@H]5O[C@@]35C21)(O)[C@@H](OC(=O)C(C)C)C(C)(C)[C@]4([H])[C@H](C(=O)OC)O)C)C1=COC=C1
|
|
| MolPort-039-052-608 |
0.66 |
CC1(C)[C@@H]2CC(=O)OC[C@@]22[C@H]3CC[C@]4(C)[C@@H](CC(=O)O[C@H]4C4=COC=C4)[C@@]33C[C@H](C1=O)[C@]2(O)O3
|
|
| MolPort-005-945-334 |
0.66 |
C[C@@H]1CC[C@]2(C)[C@]3(C)CC[C@@]2(OC3=O)[C@@]11C[C@@H](OC1=O)C1=COC=C1
|
|
| MolPort-005-945-357 |
0.66 |
CCC(=O)O[C@H]1C(C)(C)[C@H]([C@@H](O)C(=O)OC)[C@@]2(C)C3CC[C@]4(C)C(CC(=O)O[C@H]4C4=COC=C4)[C@]33O[C@@H]3[C@]1(O)C2=O
|
|
| MolPort-005-945-358 |
0.66 |
COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@]2(O)[C@H]3O[C@@]33C(CC[C@]4(C)C3CC(=O)O[C@H]4C3=COC=C3)[C@@]1(C)C2=O
|
|
| MolPort-005-945-356 |
0.66 |
COC(=O)[C@H](O)[C@H]1C(C)(C)[C@H](OC(C)=O)[C@]2(O)[C@H]3O[C@@]33C(CC[C@]4(C)C3CC(=O)O[C@H]4C3=COC=C3)[C@@]1(C)C2=O
|
|
| MolPort-039-338-373 |
0.65 |
C[C@@]12C[C@H](OC(=O)[C@H]1CC(=O)[C@@H]1[C@@H]3C[C@@H](C[C@@H]21)OC3=O)C1=COC=C1
|
|
| MolPort-009-420-103 |
0.65 |
CC(OC(=O)C1=C(C)OC(CO)=C1)C(=O)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-003-983-869 |
0.65 |
COC(=O)[C@@H]1C[C@H](OC(=O)C2=CC=CC=C2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=COC=C1
|
|
| MCULE-9923805383 |
0.65 |
[C@@H]12OC(=O)[C@@H]([C@@]3([H])C(=O)C[C@]4([H])C(=O)O[C@H](C5C=COC=5)C[C@@]4(C)[C@]3([H])C1)C2
|
|
| MCULE-8896126433 |
0.65 |
O=C(OC)C1C2(CCC3C(=O)OC(C4C=COC=4)CC3(C)C2C(=O)C(OC(=O)C2C=CC=CC=2)C1)C
|
|
| MCULE-5771459547 |
0.65 |
O1C(=O)[C@@]2([H])[C@@](C)([C@@]3([H])C(=O)[C@@H](OC(=O)C4=CC=CC=C4)C[C@@H](C(OC)=O)[C@]3(C)CC2)C[C@H]1C1C=COC=1
|
|
| MCULE-5060051774 |
0.65 |
CC(C(C12CC3CC(C1)CC(C3)C2)=O)OC(C1=C(C)OC(CO)=C1)=O
|
|
| MCULE-6673229844 |
0.65 |
CC(CC#C)(COC(C1=COC=C1)=O)C
|
|
| MCULE-5339263533 |
0.65 |
C1[C@H](CC2[C@@]3(CO[C@]13CO)[C@H](O)C[C@H]([C@]12C(=O)OC(C2=COC=C2)C1)C)O
|
|
| MCULE-8451854366 |
0.65 |
[C@]12([C@@]3([C@@]4(CO[C@]4(CO)CCC3)[C@H](O)C[C@H]1C)[H])C(=O)O[C@@H](C2)C1C=COC=1
|
|
| MCULE-5630928320 |
0.65 |
CC(C1OCC(C)(C)CO1)(COC(C1=COC=C1)=O)C
|
|
| MCULE-2072058754 |
0.65 |
O=C(C1=COC=C1)OCC1(CC1)CC#N
|
|
| MolPort-001-740-818 |
0.65 |
C[C@@H]1C[C@@H](O)[C@@]23COC(O)[C@@H]2CCC[C@@H]3[C@@]11C[C@H](OC1=O)C1=COC=C1
|
|
| MolPort-030-014-757 |
0.65 |
CC(C)(COC(=O)C1=COC=C1)CC#C
|
|
| MolPort-039-101-336 |
0.65 |
COC(=O)[C@@H]1C[C@H](O)C(=O)[C@H]2C1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=COC=C1
|
|
| MolPort-039-052-572 |
0.65 |
COC(=O)C[C@H]1C(C)(C)[C@@H]2O[C@@]34C[C@H]2C(=O)[C@]1(C)[C@@]3(O)CC[C@@]1(C)[C@@H](OC(=O)C[C@@]41O)C1=COC=C1
|
|
| MolPort-019-936-758 |
0.65 |
C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)C[C@@H](O)CC3[C@@]11CC(OC1=O)C1=COC=C1
|
|
| MolPort-001-740-699 |
0.65 |
C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)CCC[C@@H]3[C@@]11C[C@H](OC1=O)C1=COC=C1
|
|
| MolPort-028-299-031 |
0.65 |
O=C(OCC1(CC#N)CC1)C1=COC=C1
|
|
| MolPort-028-845-508 |
0.65 |
CC(C)(COC(=O)C1=COC=C1)C1OCC(C)(C)CO1
|
|
| MolPort-046-158-511 |
0.65 |
CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@@H]1C(=O)[C@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)C1=COC=C1
|
|
| MolPort-005-944-741 |
0.64 |
COC(=O)[C@@H](O)[C@H]1[C@]2(C)CC3(O)C(C(=O)[C@H]2O)[C@]24O[C@]22CC(=O)O[C@@H](C5=COC=C5)[C@]2(C)CCC4[C@]13C
|
|
| MolPort-029-935-871 |
0.64 |
COC(=O)C[C@@H](C)OC(=O)C1=C(C)OC=C1
|
|
| MolPort-000-753-538 |
0.64 |
CC1(C)OC2CC(=O)OCC22C1CC(=O)[C@]1(C)C2CC[C@@]2(C)C(OC(=O)[C@H]3O[C@@]123)C1=COC=C1
|
|
| MolPort-019-936-816 |
0.64 |
CC(=O)OC1C2C(C)(C)O[C@H]3CC(=O)OC[C@@]23C2CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@@]34[C@]2(C)C1=O)C1=COC=C1
|
|
| MolPort-001-741-361 |
0.64 |
CC12CC(O)C3C4(C)C(CC(=O)C3(C)C11OC1C(=O)OC2C1=COC=C1)C(C)(C)OC(=O)CC4O
|
|
| MolPort-001-742-490 |
0.64 |
CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)C1=COC=C1
|
|
| MolPort-038-386-036 |
0.64 |
CC1(C)OC(CC(O)=O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)C1=COC=C1
|
|
| MolPort-039-052-486 |
0.64 |
CC(=O)O[C@H]1[C@@H]2C(C)(C)O[C@H]3CC(=O)OC[C@@]23[C@H]2CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@@]34[C@]2(C)C1=O)C1=COC=C1
|
|
| MCULE-8598521019 |
0.64 |
COC(C[C@H](OC(C1=C(C)OC=C1)=O)C)=O
|
|
| MCULE-4313813841 |
0.64 |
[C@]123[C@H](O1)C(=O)O[C@@H](C1=COC=C1)[C@]2(C)CC[C@]1([H])[C@@]24COC(=O)C[C@]2([H])OC(C)(C)[C@]4([H])CC(=O)[C@@]31C
|
|
| MCULE-5487895837 |
0.64 |
[C@@]123O[C@@H]1C(=O)O[C@@H](C1C=COC=1)[C@]2(C)CC[C@@]1([H])[C@@]3(C)C(=O)CC2[C@]1(C)[C@@H](CC(OC)=O)OC2(C)C
|
|
| MCULE-4196146605 |
0.64 |
C1C(=O)C2(C34C(CC(C2C2(C(O)CC(=O)OC(C)(C)C21)C)O)(C(C1C=COC=1)OC(=O)C3O4)C)C
|
|
| MCULE-2600573283 |
0.64 |
O(C(C)=O)C1C2C(O[C@H]3CC(=O)OC[C@@]23C2[C@@](C1=O)([C@]13[C@](CC2)(C)[C@H](C2=COC=C2)OC(=O)[C@H]1O3)C)(C)C
|
|
| MCULE-8208278078 |
0.64 |
C123OC1C(OC(C1C=COC=1)C2(C)CCC1C3(C)C(=O)CC2C31COC(CC3OC2(C)C)=O)=O
|
|
| MCULE-3181968621 |
0.64 |
O=C1OC[C@]23[C@](CC(=O)[C@@]4([C@]2([H])CC[C@]2(C)[C@]54O[C@@]5(C(=O)O[C@H]2C2C=COC=2)[H])C)([H])C(C)(C)O[C@@]3([H])C1
|
|
| MCULE-4100551278 |
0.64 |
[C@]1([H])([C@H](O)C(=O)OC)[C@@]2([C@@]3(O)[C@H]4[C@]5(O)[C@@]6(O[C@H]4C(=O)[C@]1(C)C3)CC(=O)O[C@@]([H])(C1C=COC=1)[C@]6(C)CC[C@]25[H])C
|
|
| MCULE-7523923601 |
0.64 |
FC(CCCOC(C1=COC=C1)=O)(F)F
|
|
| MolPort-035-706-425 |
0.64 |
COC(=O)[C@@H](O)[C@H]1[C@@]2(C)C[C@]3(O)[C@@H]4[C@@H](O[C@]56CC(=O)O[C@@H](C7=COC=C7)[C@]5(C)CC[C@H]([C@]13C)[C@]46O)C2=O
|
|
| MolPort-030-011-499 |
0.64 |
FC(F)(F)CCCOC(=O)C1=COC=C1
|
|
| MolPort-006-823-824 |
0.63 |
CC(=O)OC1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=COC=C3)[C@@]12C
|
|
| MolPort-039-052-299 |
0.63 |
CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=COC=C3)[C@@]12C
|
|
| MolPort-003-958-971 |
0.63 |
CC(=O)OC1CC(=O)OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC345)C3=COC=C3)C12C
|
|
| MolPort-003-665-879 |
0.63 |
CC(=O)O[C@@H]1C[C@H](OC(C)=O)[C@]2(C)C3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]3(C)[C@@H](CC2C1(C)C)OC(C)=O)C1=COC=C1
|
|
| MCULE-8692560176 |
0.63 |
CC12C(CC3C(OC(=O)CC(OC(=O)C)C3(C)C1CCC1(C(C3=COC=C3)OC(=O)C3OC213)C)(C)C)=O
|
|
| MCULE-7858901224 |
0.63 |
C[C@@]12[C@H]3CC[C@@]4(C)[C@H](C5C=COC=5)OC(=O)[C@H]5O[C@]54[C@@]3(C(=O)C[C@H]1C(OC(=O)C[C@@H]2OC(=O)C)(C)C)C
|
|
| MCULE-4474340355 |
0.63 |
C[C@@]12C(=O)C[C@@]3([H])C(C)(OC(=O)C[C@H](OC(=O)C)[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@H](OC(=O)[C@H]3O[C@]231)C1C=COC=1)C
|
|
| MCULE-9088475645 |
0.63 |
[C@@]123O[C@@H]1C(=O)O[C@@H](C1C=COC=1)[C@]2(C)CC[C@@]1([H])[C@@]3(C)C(O)C[C@@]2([C@]1(C)[C@@H](CC(OC(C)C)=O)OC2(C)C)[H]
|
|
| MCULE-8250468882 |
0.63 |
CC(OC(C1=C(C)OC(C)=C1)=O)CC(O)(C)C
|
|
| MCULE-2847737556 |
0.63 |
O([C@@H]1[C@]2([C@]3([C@]([H])(CC1)[C@]1(C(O[C@@H](C1)C1C=COC=1)=O)[C@H](C)CC3=O)COC(=O)C)OC2)C(C)=O
|
|
| MolPort-039-052-489 |
0.63 |
CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1C[C@@H](O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)C1=COC=C1
|
|
| MolPort-039-310-476 |
0.63 |
CC(CC(C)(C)O)OC(=O)C1=C(C)OC(C)=C1
|
|
| MolPort-001-741-056 |
0.63 |
C[C@@H]1CC(=O)[C@]2(COC(C)=O)[C@H](CC[C@H](OC(C)=O)[C@]22CO2)[C@@]11C[C@H](OC1=O)C1=COC=C1
|
|
| MolPort-005-882-777 |
0.62 |
CC(C)C1CCC(C)CC1OC(=O)COC(=O)C1=C(C)OC(C)=C1
|
|
| MolPort-029-925-622 |
0.62 |
CC1(C)COC(=O)[C@@H]1OC(=O)C1=COC2=CC=CC=C12
|
|
| MolPort-029-910-155 |
0.62 |
CC1=CC(C(=O)OC2CCOCC2)=C(C)O1
|
|
| MolPort-044-727-710 |
0.62 |
COC(=O)[C@@H]1C[C@H](OC(N)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=COC=C1
|
|
| MCULE-7407997730 |
0.62 |
CC(C1C(OC(COC(C2=C(C)OC(C)=C2)=O)=O)CC(C)CC1)C
|
|
| MCULE-4068055916 |
0.62 |
CC1([C@@H](OC(C2C3=C(C=CC=C3)OC=2)=O)C(=O)OC1)C
|
|
| MCULE-6495668945 |
0.62 |
COC(C1C(=O)COC1C1=COC=C1)=O
|
|
| MCULE-2125362742 |
0.62 |
CC1OC(C)=C(C(OC2CCOCC2)=O)C=1
|
|
| MCULE-1998844890 |
0.62 |
[C@@]1(C)(C2CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@]43[C@]2(C)C(=O)C[C@H]1C(O)(C)C)C1C=COC=1)[C@H](CC(=O)O)OC(=O)C
|
|
| MCULE-6511311120 |
0.62 |
CC1OC(C)=C(C(OCC(C(C)(C)C)=O)=O)C=1
|
|
| MCULE-9968051263 |
0.62 |
CC1OCCC(C(OCC2=C(C)OC(C)=C2)=O)C1
|
|
| MCULE-9606435009 |
0.62 |
C(OCCCC)(C1C(=COC=1)C(OCCCC)=O)=O
|
|
| MolPort-042-675-516 |
0.62 |
COC(=O)C[C@H](OC(C)=O)[C@@]1(C)[C@@H](CC(=O)[C@]2(C)C1CC[C@@]1(C)[C@@H](OC(=O)[C@H]3O[C@@]213)C1=COC=C1)C(C)(C)O
|
|
| MolPort-042-675-242 |
0.62 |
CC(=O)O[C@@H](CC(O)=O)[C@@]1(C)[C@@H](CC(=O)[C@]2(C)C1CC[C@@]1(C)[C@@H](OC(=O)[C@H]3O[C@@]213)C1=COC=C1)C(C)(C)O
|
|
| MolPort-004-004-730 |
0.62 |
CC1=CC(C(=O)OCC(=O)C(C)(C)C)=C(C)O1
|
|
| MolPort-028-791-617 |
0.62 |
CC1CC(CCO1)C(=O)OCC1=C(C)OC(C)=C1
|
|
| MolPort-029-919-994 |
0.61 |
COC(=O)C[C@@H](C)OC(=O)C1=COC2=CC=CC=C12
|
|
| MolPort-020-058-780 |
0.61 |
COCCOCC(OC(=O)C1=COC=C1)C(C)(C)C
|
|
| MolPort-039-339-225 |
0.61 |
COC(=O)C1[C@H]2CC[C@@H]3[C@]45C[C@H](O[C@@H]4OC(O2)[C@]13CC[C@H]5C)C1=COC=C1
|
|
| MolPort-001-740-282 |
0.61 |
CC12CC(OC(=O)C1CCC1(C)C2CCC(O)C1(C)O)C1=COC=C1
|
|
| MCULE-8224097754 |
0.61 |
COC(C[C@H](OC(C1C2=C(C=CC=C2)OC=1)=O)C)=O
|
|
| MCULE-5967806574 |
0.61 |
COCCOCC(C(C)(C)C)OC(C1=COC=C1)=O
|
|
| MCULE-4233115144 |
0.61 |
C[C@H]1[C@]23[C@H]4CC[C@@H]5C(C(OC)=O)[C@]4([C@@H](O[C@H]2O[C@H](C2=COC=C2)C3)O5)CC1
|
|
| MCULE-4995775334 |
0.61 |
C1C(O)C(O)(C)C2(C(C1)C1(C)C(CC2)C(=O)OC(C2C=COC=2)C1)C
|
|
| MCULE-5715243450 |
0.61 |
COC(C[C@H](OC(C1C=C(Br)OC=1)=O)C)=O
|
|
| MCULE-3748957579 |
0.61 |
COC(C[C@H](OC(C1=C(C)OC(C)=C1)=O)C)=O
|
|
| MolPort-029-919-991 |
0.61 |
COC(=O)C[C@@H](C)OC(=O)C1=COC(Br)=C1
|
|
| MolPort-029-919-998 |
0.61 |
COC(=O)C[C@@H](C)OC(=O)C1=C(C)OC(C)=C1
|
|
| MolPort-020-093-099 |
0.60 |
CC1=C(COC(=O)C2(C)CCOCC2)C=CO1
|
|
| MolPort-001-740-859 |
0.60 |
C[C@@H]1CC(=O)[C@]2(COC(C)=O)[C@H](CCC[C@]22CO2)[C@@]11C[C@H](O[C@H]1OC(C)=O)C1=COC=C1
|
|
| MCULE-2370443057 |
0.60 |
CC1=C(COC(C2(CCOCC2)C)=O)C=CO1
|
|
| MCULE-2919423373 |
0.60 |
O(C(C)=O)C[C@]12[C@@]([C@]3([C@H](OC(=O)C)O[C@@H](C3)C3C=COC=3)[C@H](C)CC1=O)(CCC[C@]12OC1)[H]
|
|
| MCULE-2609079019 |
0.60 |
[C@]1([H])([C@H](O)C(=O)OC)[C@@]2([C@@]3(O)[C@H]4[C@]5(O)[C@@]6(O[C@@]4(O)C(=O)[C@]1(C)C3)CC(=O)O[C@@]([H])(C1C=COC=1)[C@]6(C)CC[C@]25[H])C
|
|
| MCULE-1138673136 |
0.60 |
O=C(C1=CC2=C(C=CC=C2)C=C1)COC(C1=COC=C1)=O
|
|
| MCULE-1106831860 |
0.60 |
CC1=C(C(OCC2(C#N)CCOCC2)=O)C=CO1
|
|
| MCULE-2299895017 |
0.60 |
O=C(C1=COC=C1)OCC1CCSCC1
|
|
