| MolPort-019-936-816 |
1 |
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)c1ccoc1 |
|
| MolPort-039-052-486 |
1 |
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)c1ccoc1 |
|
| MolPort-001-742-490 |
1 |
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)c1ccoc1 |
|
| MolPort-000-753-538 |
1 |
CC1(C)OC2CC(=O)OCC22C1CC(=O)[C@]1(C)C2CC[C@@]2(C)C(OC(=O)[C@H]3O[C@@]123)c1ccoc1 |
|
| MolPort-038-386-036 |
1 |
CC1(C)OC(CC(O)=O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)c1ccoc1 |
|
| MCULE-5487895837 |
1 |
[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-4313813841 |
1 |
[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-2600573283 |
1 |
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-3181968621 |
1 |
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-8208278078 |
1 |
C123OC1C(OC(C1C=COC=1)C2(C)CCC1C3(C)C(=O)CC2C31COC(CC3OC2(C)C)=O)=O |
|
| MolPort-046-158-511 |
0.99 |
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)c1ccoc1 |
|
| MolPort-001-741-361 |
0.98 |
CC12CC(O)C3C4(C)C(CC(=O)C3(C)C11OC1C(=O)OC2c1ccoc1)C(C)(C)OC(=O)CC4O |
|
| MCULE-4196146605 |
0.98 |
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 |
|
| MolPort-039-052-299 |
0.97 |
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)c3ccoc3)[C@@]12C |
|
| MolPort-042-675-242 |
0.97 |
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)c1ccoc1)C(C)(C)O |
|
| MolPort-039-052-489 |
0.97 |
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)c1ccoc1 |
|
| MolPort-006-823-824 |
0.97 |
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)c3ccoc3)[C@@]12C |
|
| MolPort-003-958-971 |
0.97 |
CC(=O)OC1CC(=O)OC(C)(C)C2CC(=O)C3(C)C(CCC4(C)C(OC(=O)C5OC345)c3ccoc3)C12C |
|
| MolPort-042-675-516 |
0.97 |
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)c1ccoc1)C(C)(C)O |
|
| MCULE-8692560176 |
0.97 |
CC12C(CC3C(OC(=O)CC(OC(=O)C)C3(C)C1CCC1(C(C3=COC=C3)OC(=O)C3OC213)C)(C)C)=O |
|
| MCULE-7858901224 |
0.97 |
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 |
0.97 |
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-1998844890 |
0.97 |
[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-9088475645 |
0.97 |
[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] |
|
| MolPort-003-665-879 |
0.95 |
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)c1ccoc1 |
|
| MolPort-035-706-425 |
0.93 |
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](c7ccoc7)[C@]5(C)CC[C@H]([C@]13C)[C@]46O)C2=O |
|
| MCULE-4100551278 |
0.93 |
[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 |
|
| MolPort-039-052-572 |
0.91 |
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)c1ccoc1 |
|
| MCULE-8092003694 |
0.88 |
[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 |
0.88 |
C12CC(C3C4CC5(C(C)(C3C1)CC(C1=COC=C1)O5)C(O4)=O)C(=O)O2 |
|
| MCULE-2609079019 |
0.88 |
[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 |
|
| MolPort-005-945-356 |
0.88 |
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]4c3ccoc3)[C@@]1(C)C2=O |
|
| MolPort-005-945-357 |
0.88 |
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]4c4ccoc4)[C@]33O[C@@H]3[C@]1(O)C2=O |
|
| MolPort-005-944-741 |
0.88 |
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](c5ccoc5)[C@]2(C)CCC4[C@]13C |
|
| MolPort-005-945-358 |
0.88 |
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]4c3ccoc3)[C@@]1(C)C2=O |
|
| MolPort-035-706-421 |
0.88 |
COC(=O)[C@@H](O)[C@H]1[C@@]2(C)C[C@]3(O)[C@@H]4[C@@](O)(O[C@]56CC(=O)O[C@@H](c7ccoc7)[C@]5(C)CC[C@H]([C@]13C)[C@]46O)C2=O |
|
| MolPort-035-705-825 |
0.88 |
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)c1ccoc1 |
|
| MolPort-020-006-038 |
0.88 |
CC12CC(OC11CC(OC1=O)C1C3CC(CC21)OC3=O)c1ccoc1 |
|
| MolPort-035-705-826 |
0.88 |
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)c1ccoc1 |
|
| MCULE-6085556337 |
0.88 |
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 |
|
| MCULE-7987175273 |
0.88 |
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-6334359401 |
0.88 |
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-9251257872 |
0.88 |
[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 |
0.88 |
[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-2847737556 |
0.87 |
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-001-741-056 |
0.87 |
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)c1ccoc1 |
|
| MolPort-042-675-189 |
0.85 |
CC1(C)O[C@H]2CC(=O)OC[C@@]22C1CC(=O)[C@]1(C)C2CC[C@@](C)([C@@H](OC2OC(CO)C(O)C(O)C2O)c2ccoc2)[C@@]11O[C@@H]1C(O)=O |
|
| MCULE-7457047409 |
0.84 |
C1C[C@]2([C@H](C3=COC=C3)OC(C[C@@]32C(=C)[C@H]1[C@@]1([C@H](C(C(C[C@@H]1O3)=O)(C)C)[C@@H](OC(C)=O)C(=O)OC)C)=O)C |
|
| MolPort-035-706-418 |
0.84 |
COC(=O)[C@@H](OC(C)=O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](c5ccoc5)[C@]3(C)CC[C@@H](C4=C)[C@]12C |
|
| MolPort-005-944-782 |
0.84 |
COC(=O)[C@H](OC(C)=O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](c5ccoc5)[C@]3(C)CC[C@@H](C4=C)[C@]12C |
|
| MCULE-2136514648 |
0.83 |
[C@]1(C)([C@@H](OC(=O)C)CC(=O)O)C2CC[C@@](C)([C@H](C3C=COC=3)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@]3(O[C@H]3C(=O)O)[C@]2(C)C(=O)C[C@H]1C(O)(C)C |
|
| MCULE-8849404942 |
0.83 |
[C@]1(C)([C@@H](OC(=O)C)CC(=O)OC)C2CC[C@@](C)([C@H](C3C=COC=3)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@]3(O[C@H]3C(=O)O)[C@]2(C)C(=O)C[C@H]1C(O)(C)C |
|
| MCULE-7903509934 |
0.83 |
[C@]1(C)([C@@H](O)CC(=O)OC)C2CC[C@@](C)([C@H](C3C=COC=3)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@]3(O[C@H]3C(=O)O)[C@]2(C)C(=O)C[C@H]1C(O)(C)C |
|
| MolPort-042-675-493 |
0.83 |
COC(=O)C[C@H](O)[C@@]1(C)[C@@H](CC(=O)[C@]2(C)C1CC[C@@](C)([C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccoc1)[C@@]21O[C@H]1C(O)=O)C(C)(C)O |
|
| MolPort-042-675-495 |
0.83 |
COC(=O)C[C@H](OC(C)=O)[C@@]1(C)[C@@H](CC(=O)[C@]2(C)C1CC[C@@](C)([C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccoc1)[C@@]21O[C@H]1C(O)=O)C(C)(C)O |
|
| MolPort-042-675-496 |
0.83 |
CC(=O)O[C@@H](CC(O)=O)[C@@]1(C)[C@@H](CC(=O)[C@]2(C)C1CC[C@@](C)([C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccoc1)[C@@]21O[C@H]1C(O)=O)C(C)(C)O |
|
| MolPort-039-052-608 |
0.83 |
CC1(C)[C@@H]2CC(=O)OC[C@@]22[C@H]3CC[C@]4(C)[C@@H](CC(=O)O[C@H]4c4ccoc4)[C@@]33C[C@H](C1=O)[C@]2(O)O3 |
|
| MCULE-6264202086 |
0.82 |
C1C(O)C2C3(C(=O)OC(C4C=COC=4)C3)C(C)CC3OCC(O)(C23CO)C1 |
|
| MCULE-6999783882 |
0.82 |
[C@@]123CC[C@](C(=O)O1)(C)[C@@]2(C)CC[C@@H](C)[C@@]13C[C@@H](OC1=O)C1C=COC=1 |
|
| MolPort-019-936-773 |
0.82 |
CC1CC2OCC3(O)CCC(O)C(C23CO)C11CC(OC1=O)c1ccoc1 |
|
| MolPort-005-945-334 |
0.82 |
C[C@@H]1CC[C@]2(C)[C@]3(C)CC[C@@]2(OC3=O)[C@@]11C[C@@H](OC1=O)c1ccoc1 |
|
| MolPort-023-276-783 |
0.82 |
CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](OC(=O)[C@H]4O[C@@]34[C@]12C)c1ccoc1 |
|
| MCULE-4339318579 |
0.81 |
C1C[C@]2([C@@H](OC(C[C@@]32C(=C)[C@H]1[C@@]1([C@H](C(C(C[C@@H]1O3)=O)(C)C)[C@@H](O)C(=O)OC)C)=O)C1C=COC=1)C |
|
| MCULE-8451854366 |
0.81 |
[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-5339263533 |
0.81 |
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 |
|
| MolPort-001-741-583 |
0.81 |
COC(=O)[C@H](O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](c5ccoc5)[C@]3(C)CC[C@@H](C4=C)[C@]12C |
|
| MolPort-001-740-699 |
0.81 |
C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)CCC[C@@H]3[C@@]11C[C@H](OC1=O)c1ccoc1 |
|
| MolPort-046-153-714 |
0.81 |
C[C@@]12C[C@H](O)[C@@H]3[C@@]4(C)C=CC(=O)OC(C)(C)[C@@H]4CC(=O)[C@@]3(C)[C@]11O[C@@H]1C(=O)O[C@H]2c1ccoc1 |
|
| MolPort-019-936-758 |
0.81 |
C[C@@H]1C[C@@H](O)[C@@]23CO[C@]2(CO)C[C@@H](O)CC3[C@@]11CC(OC1=O)c1ccoc1 |
|
| MolPort-035-706-419 |
0.81 |
COC(=O)[C@@H](O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](c5ccoc5)[C@]3(C)CC[C@@H](C4=C)[C@]12C |
|
| MolPort-046-761-805 |
0.81 |
C[C@@]12OC(=O)C3C[C@@H](c4ccoc4)[C@@]4(C)[C@H](CC([O-])C5COCC6OC456)C13C[O+](C)(C)CC2=O |
|
| MCULE-3798119172 |
0.80 |
C123COC(C)(C)C1(C(=O)C=C2)C(=O)C(O)C1(C)C24OC2C(=O)OC(C2C=COC=2)C4(C)CCC31 |
|
| MCULE-5079813608 |
0.80 |
C1C(=O)OC(C)(C2CC([C@@]3(C(CC[C@@]4(C)[C@H](C5C=COC=5)OC(=O)[C@H]5O[C@@]345)[C@@]2(C)C=1)C)=O)C |
|
| MCULE-6736082148 |
0.80 |
O1[C@@H]2C(=O)O[C@@H](C3=COC=C3)[C@]3(C)CC[C@@H]4[C@]5(C=CC(=O)OC(C)(C)[C@@H]5CC([C@@]4(C)[C@]132)=O)C |
|
| MCULE-9083964238 |
0.80 |
CC1(C)OC(=O)C=C[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@H](C5C=COC=5)OC(=O)[C@H]5O[C@@]45[C@]3(C)C(=O)C[C@@]12[H] |
|
| MolPort-001-740-970 |
0.80 |
C[C@@]12CCC3[C@@]4(C)C=CC(=O)OC(C)(C)C4CC(=O)[C@@]3(C)[C@]11O[C@@H]1C(=O)O[C@H]2c1ccoc1 |
|
| MolPort-044-727-714 |
0.80 |
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)c1ccoc1 |
|
| MolPort-021-804-765 |
0.80 |
CC1(C)OCC23C=CC(=O)C12C(=O)C(O)C1(C)C3CCC2(C)C(OC(=O)C3OC123)c1ccoc1 |
|
| MolPort-020-005-940 |
0.80 |
C[C@@]12CC[C@@H]3[C@@]4(C)C=CC(=O)OC(C)(C)[C@@H]4CC(=O)[C@@]3(C)[C@]11O[C@@H]1C(=O)O[C@H]2c1ccoc1 |
|
| MCULE-2585834276 |
0.79 |
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 |
0.79 |
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 |
0.79 |
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-2086472325 |
0.79 |
[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 |
|
| MolPort-039-052-549 |
0.79 |
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)c1ccoc1 |
|
| MCULE-8991545911 |
0.78 |
[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-6867978397 |
0.78 |
C1C[C@]2(C)[C@]3(O[C@H]4CC(=O)C(C)(C)[C@H](CC(=O)OC)[C@@]4(C)[C@@H]1C3=C)CC(=O)O[C@H]2C1C=COC=1 |
|
| MolPort-005-945-383 |
0.78 |
COC(=O)C[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](c5ccoc5)[C@]3(C)CC[C@@H](C4=C)[C@]12C |
|
| MolPort-035-705-829 |
0.78 |
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)c1ccoc1 |
|
| MCULE-4779233433 |
0.77 |
[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-6495668945 |
0.77 |
COC(C1C(=O)COC1C1=COC=C1)=O |
|
| MolPort-046-509-070 |
0.77 |
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)c1ccoc1 |
|
| MolPort-039-101-336 |
0.77 |
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)c1ccoc1 |
|
| MCULE-4229085051 |
0.76 |
C12(/C=C/C(=O)OC)COC(C)(C)C1C(O)C(OC(=O)C)C1(C)C34OC3C(=O)OC(C3C=COC=3)C4(C)CCC21 |
|
| MolPort-021-804-766 |
0.76 |
COC(=O)\C=C\C12COC(C)(C)C1C(O)C(OC(C)=O)C1(C)C2CCC2(C)C(OC(=O)C3OC123)c1ccoc1 |
|
| MCULE-5771459547 |
0.75 |
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-8896126433 |
0.75 |
O=C(OC)C1C2(CCC3C(=O)OC(C4C=COC=4)CC3(C)C2C(=O)C(OC(=O)C2C=CC=CC=2)C1)C |
|
| MCULE-9923805383 |
0.75 |
[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 |
|
| MolPort-003-983-869 |
0.75 |
COC(=O)[C@@H]1C[C@H](OC(=O)c2ccccc2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |
|
| MolPort-039-338-373 |
0.75 |
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)c1ccoc1 |
|
| MolPort-001-740-818 |
0.75 |
C[C@@H]1C[C@@H](O)[C@@]23COC(O)[C@@H]2CCC[C@@H]3[C@@]11C[C@H](OC1=O)c1ccoc1 |
|
| MolPort-044-727-710 |
0.74 |
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)c1ccoc1 |
|
| MolPort-001-740-282 |
0.74 |
CC12CC(OC(=O)C1CCC1(C)C2CCC(O)C1(C)O)c1ccoc1 |
|
| MCULE-4995775334 |
0.73 |
C1C(O)C(O)(C)C2(C(C1)C1(C)C(CC2)C(=O)OC(C2C=COC=2)C1)C |
|
| MolPort-005-945-271 |
0.73 |
CC(=O)OC1C(O)CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2CCC3C(=O)OC(CC3(C)C12)c1ccoc1 |
|
| MCULE-2919423373 |
0.72 |
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-3253755335 |
0.72 |
OC1C([C@]2([C@]34[C@](CCC2[C@@]25COC(=O)C[C@@H]2OC(C=15)(C)C)(C)[C@H](C1=COC=C1)OC(=O)[C@H]3O4)C)=O |
|
| MCULE-7390761733 |
0.72 |
C1C(O)C2(C3CCC4(C(C(C5OC54C3(C)C(OC(C)=O)CC2C(C1OC(=O)C)(C)C)=O)C1=COC=C1)C)C |
|
| MCULE-7170772536 |
0.72 |
C1C(OC(C)=O)C2(C3CCC4(C(C(C5OC54C3(C)C(OC(C)=O)CC2C(C1O)(C)C)=O)C1=COC=C1)C)C |
|
| MolPort-001-740-859 |
0.72 |
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)c1ccoc1 |
|
| MolPort-001-740-460 |
0.72 |
CC1(C)O[C@H]2CC(=O)OC[C@]22C3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]3(C)C(=O)C(O)=C12)c1ccoc1 |
|
| MolPort-035-706-414 |
0.72 |
CC1(C)O[C@H]2CC(=O)OC[C@]22[C@H]3C[C@H](O)[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]3(C)C(=O)C(O)=C12)c1ccoc1 |
|
| MolPort-035-706-410 |
0.72 |
CC1(C)O[C@H]2CC(=O)OC[C@]22[C@H]3CC[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]45[C@]3(C)C(=O)C(O)=C12)c1ccoc1 |
|
| MolPort-005-945-093 |
0.72 |
CC(=O)OC1CC(O)C(C)(C)C2CC(OC(C)=O)C3(C)C(CCC4(C)C(C(=O)C5OC345)c3ccoc3)C12C |
|
| MolPort-005-945-094 |
0.72 |
CC(=O)OC1CC(O)C2(C)C3CCC4(C)C(C(=O)C5OC45C3(C)C(CC2C1(C)C)OC(C)=O)c1ccoc1 |
|
| MCULE-4233115144 |
0.71 |
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 |
|
| MolPort-039-339-225 |
0.71 |
COC(=O)C1[C@H]2CC[C@@H]3[C@]45C[C@H](O[C@@H]4OC(O2)[C@]13CC[C@H]5C)c1ccoc1 |
|
| MolPort-035-706-424 |
0.71 |
CC1(C)O[C@@H]2OC(=O)C=C[C@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]123)c1ccoc1 |
|
| MCULE-2458225555 |
0.70 |
[C@@]12(C=CC(=O)OC(C)(C)C1CC(=O)[C@@]1(C)[C@]3(O[C@H]3C(=O)O)[C@](C)([C@H](C3C=COC=3)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)CCC12)C |
|
| MCULE-9693472400 |
0.70 |
[C@]123[C@@H](O)C[C@@H](OC(C)=O)[C@](C)([C@H](O)OC1)[C@]2([H])C[C@@H](O)[C@@]1(C)[C@@]24O[C@@H]2C[C@@H](C2C=COC=2)[C@]4(C)[C@@H](OC(=O)C)C(=O)[C@@]13[H] |
|
| MCULE-4812902197 |
0.70 |
CC(OC1C2(C)C3CC(O)C4(C)C56OC5CC(C5C=COC=5)C6(C)C(OC(C)=O)C(=O)C4C3(COC2O)C(O)C1)=O |
|
| MCULE-3006054052 |
0.70 |
C[C@]12[C@@]34O[C@]3([H])C[C@@H](C3C=COC=3)[C@]4(C)[C@H](C(=O)[C@@]1([C@@]13[C@](C[C@H]2O)([H])[C@]([C@@H](OC1)O)(C)[C@H](OC(=O)C)C[C@@H]3O)[H])OC(=O)C |
|
| MCULE-7367124144 |
0.70 |
C12(C(=CCC3(C(=O)OC)C1CCC(OC(=O)C)C3(O)C(=O)OC)C)C(OC(C1=COC=C1)C2)=O |
|
| MolPort-046-684-166 |
0.70 |
CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)C1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@@H](C[C@H]3O[C@@]123)c1ccoc1 |
|
| MolPort-042-675-494 |
0.70 |
C[C@]1(CCC2[C@@]3(C)C=CC(=O)OC(C)(C)C3CC(=O)[C@@]2(C)[C@]11O[C@H]1C(O)=O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccoc1 |
|
| MolPort-001-740-283 |
0.70 |
COC(=O)C1(O)C(CCC2C3(CC(OC3=O)c3ccoc3)C(C)=CCC12C(=O)OC)OC(C)=O |
|
| MolPort-020-005-786 |
0.70 |
CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)[C@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@@H](C[C@H]3O[C@@]123)c1ccoc1 |
|
| MolPort-046-594-385 |
0.70 |
CC(=O)OC1CC(O)C23COC(O)C1(C)C2CC(O)C1(C)C3C(=O)C(OC(C)=O)C2(C)C(CC3OC123)c1ccoc1 |
|
| MolPort-039-052-599 |
0.69 |
COC(=O)[C@@H](OC(C)=O)[C@H]1C(C)(C)C(=O)[C@H]2C=C3[C@H](CC[C@]4(C)[C@H]3CC(=O)O[C@H]4c3ccoc3)[C@@]1(C)C2=O |
|
| MCULE-9094665782 |
0.67 |
C1C[C@]2([H])[C@@]3(C[C@](C4C=COC=4)([H])OC3=O)C(=C)CC[C@@]32C(=O)O[C@H]1C3 |
|
| MolPort-039-339-216 |
0.67 |
C=C1CC[C@@]23C[C@@H](CC[C@@H]2[C@@]11C[C@H](OC1=O)c1ccoc1)OC3=O |
|
| MolPort-044-727-709 |
0.65 |
COC(=O)[C@@H]1C[C@H](OS(C)(=O)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |
|
| MolPort-019-936-831 |
0.65 |
COC(=O)[C@H](OC(C)=O)[C@H]1C(C)(C)C(=O)[C@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O |
|
| MCULE-6798395080 |
0.64 |
[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 |
|
| MCULE-6323998640 |
0.64 |
OC1CC(C2=COC=C2)OC1 |
|
| MCULE-5758477138 |
0.64 |
O1C(C2(CC1C1C=COC=1)C(C)CCC1(O)C2CC(C=C1C)=O)=O |
|
| MCULE-8802327070 |
0.64 |
C1C=C(CO)[C@@]2(CO)[C@@]([H])([C@]3(C(=O)O[C@H](C4C=COC=4)C3)[C@H](C)C[C@H]2O)C1 |
|
| MCULE-7940604793 |
0.64 |
OC(C12COCC1C2)C1=COC=C1 |
|
| MolPort-005-945-018 |
0.64 |
CC1CCC2(O)C(CC(=O)C=C2C)C11CC(OC1=O)c1ccoc1 |
|
| MolPort-019-936-734 |
0.64 |
C[C@@H]1C[C@@H](O)[C@]2(CO)[C@H](CCC=C2CO)[C@@]11C[C@H](OC1=O)c1ccoc1 |
|
| MolPort-021-804-805 |
0.64 |
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)c4ccoc4)[C@]12COC(C)=O)[C@H]3OC(C)=O)OC(=O)c1ccoc1 |
|
| MCULE-2697615331 |
0.63 |
[C@]12(C)CCC[C@@]3(C)[C@]1([H])[C@@]([H])(C[C@@H](C)[C@]2(O)CCC1C=COC=1)OC3=O |
|
| MCULE-3765811106 |
0.63 |
[C@]12(C)CCC[C@@]3(C)C1[C@@H](C[C@@H](C)[C@]2(O)CCC1C=COC=1)OC3=O |
|
| MCULE-7799341859 |
0.63 |
[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 |
|
| MolPort-021-804-804 |
0.63 |
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)c1ccoc1)[C@@H]2OC(=O)c1ccoc1)OC(=O)c1ccoc1 |
|
| MolPort-002-507-399 |
0.63 |
C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)(C23)[C@@]1(O)CCc1ccoc1 |
|
| MolPort-001-740-886 |
0.63 |
C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)C1(O)CCc1ccoc1 |
|
| MCULE-5738362067 |
0.62 |
CCCC1C(C2=COC=C2)(O)COC1 |
|
| MCULE-5938176015 |
0.62 |
C1(C2(C)C(C(O)C(=O)O1)=C(C)C(O)CC2)C1=COC=C1 |
|
| MCULE-1206142541 |
0.62 |
O=C1CC(C2=COC=C2)OC1 |
|
| MCULE-4037864068 |
0.62 |
OC1(C2=COC=C2)CC(C2CC2)OC1 |
|
| MCULE-4423097536 |
0.62 |
[C@]12(C)C[C@@]([H])(C3C=COC=3)OC(=O)[C@@]1([H])CC[C@@]1(C)[C@@](C=CC[C@@]12[H])(O)C(OC)=O |
|
| MolPort-005-944-666 |
0.62 |
CC1=C2C(O)C(=O)OC(c3ccoc3)C2(C)CCC1O |
|
| MolPort-001-742-477 |
0.62 |
COC(=O)[C@@]1(O)C=CC[C@@H]2[C@@]3(C)C[C@H](OC(=O)[C@H]3CC[C@@]12C)c1ccoc1 |
|
| MCULE-2736142415 |
0.61 |
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 |
|
| MCULE-2906908078 |
0.61 |
CC12C3(O)C(OC(C=C3)C1C1(C)C(C(OC(C3C=COC=3)C1)=O)CC2)=O |
|
| MCULE-4986803188 |
0.61 |
C1[C@@H]2OC(=O)[C@@](O)([C@]3(C)CC[C@]4([H])C(=O)O[C@H](C5C=COC=5)C[C@@]4(C)[C@@]32[H])C=1 |
|
| MCULE-7387132634 |
0.61 |
C1[C@@H]2OC(=O)[C@@](O)([C@]3(C)CC[C@@]4([H])C(=O)O[C@H](C5C=COC=5)C[C@@]4(C)[C@@]32[H])C=1 |
|
| MCULE-3714768207 |
0.61 |
C1(=O)O[C@H](C2C=COC=2)C[C@@]2(C)[C@@]3([H])[C@@](C)(CC[C@@]12[H])[C@]1(O)C=C[C@@]3([H])OC1=O |
|
| MCULE-2035246751 |
0.61 |
C1[C@H]2OC(=O)[C@](O)([C@]3([C@]2([H])[C@@]2(C[C@@H](C4C=COC=4)OC(=O)C2CC3)C)C)C=1 |
|
| MCULE-3336108782 |
0.61 |
CCC1OCC(C2=COC=C2)(O)C1 |
|
| MCULE-1654086703 |
0.61 |
CC(C1OCC(C2=COC=C2)(O)C1)C |
|
| MCULE-9039930139 |
0.61 |
C1C(C(C[C@@]2(C)[C@H](C)[C@@H](OC(=O)C)[C@H]([C@@]3(C2CCC2C3(C)O2)C)OC(=O)/C(/C)=C/C)=O)=COC=1 |
|
| MolPort-001-740-314 |
0.61 |
CC1(C)O[C@]23C[C@H]1C[C@H](OC(=O)c1ccoc1)[C@]2(C)[C@H](CCC3(C)O)OC(=O)c1ccoc1 |
|
| MolPort-006-069-291 |
0.61 |
C[C@@]12C[C@H](OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@H]2OC(=O)[C@]1(O)C=C2)c1ccoc1 |
|
| MolPort-005-944-756 |
0.61 |
C[C@@]12C[C@H](OC(=O)C1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)C=C2)c1ccoc1 |
|
| MolPort-005-944-737 |
0.61 |
COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C(C)C)[C@H]2CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CCC3[C@@]1(C)C2=O |
|
| MolPort-044-637-447 |
0.61 |
C\C=C(/C)C(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C)[C@](C)(CC(=O)c2ccoc2)C2CCC3OC3(C)[C@]12C |
|
| MolPort-046-417-444 |
0.61 |
C[C@@]12C[C@H](OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)C=C2)c1ccoc1 |
|
| MolPort-046-793-340 |
0.61 |
CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)[C@@H]4O[C@@]34[C@]12C)c1ccoc1 |
|
| MolPort-046-594-315 |
0.61 |
CC12CC(OC(=O)C1CCC1(C)C2C2OC(=O)C1(O)C=C2)c1ccoc1 |
|
| MolPort-016-638-282 |
0.61 |
C[C@@]12C[C@H](OC(=O)[C@H]1CC[C@]1(C)[C@H]2[C@H]2OC(=O)[C@]1(O)C=C2)c1ccoc1 |
|
| MCULE-7286723367 |
0.60 |
CC1C(C(C23COCC2C3)O)=COC=1 |
|
| MCULE-9941208449 |
0.60 |
CC(C1=COC=C1)(CC1OCCC1)O |
|
| MCULE-6007594512 |
0.60 |
CC1OCC(C2=COC=C2)(O)CC1 |
|
| MCULE-4917840248 |
0.60 |
CCC1C(C2=COC=C2)(O)COC1 |
|
| MCULE-2713294031 |
0.60 |
CC(C1C(C2=COC=C2)(O)COC1)C |
|
| MCULE-6851867554 |
0.60 |
O=C(C12COCC1C2)C1=COC=C1 |
|
| MCULE-3461016561 |
0.60 |
C1(CO)OC(C(C(C1O)O)O)OC12C(OC(C=C1)C1C2(C)CCC2C(=O)OC(C3C=COC=3)CC12C)=O |
|
