| MCULE-6411139095 |
0.74 |
C1C(=C)C2(C)CC(O)C(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MolPort-006-668-173 |
0.73 |
COC(=O)C12C(=O)C(C)OC(=O)[C@@]1(C)C(=C)CC1[C@@]3(C)C=CC(=O)C(C)(C)C3=C(O)C(=O)[C@@]21C
|
|
| MolPort-046-596-430 |
0.72 |
CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(C[C@]12C)OC(C)=O
|
|
| MolPort-002-527-583 |
0.72 |
CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]12C)OC(C)=O
|
|
| MolPort-000-826-397 |
0.72 |
CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=CC4(C)C3C(CC12C)OC(C)=O
|
|
| MCULE-6997832079 |
0.72 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)C=CC34C)C1CC=C2C(=O)COC(C)=O
|
|
| MCULE-1131719628 |
0.72 |
[C@]12(C)C[C@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC=C2C(=O)COC(C)=O)[H]
|
|
| MolPort-046-689-701 |
0.72 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)C[C@@H]3O[C@]23[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-027-720-854 |
0.71 |
C[C@H]1[C@H]2[C@@H](C[C@@]3(C)[C@@H]4CC=C5[C@@H](C=C(O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O[C@@H](CC1=O)C(C)(C)O
|
|
| MolPort-046-762-598 |
0.71 |
CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-046-158-328 |
0.71 |
CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-006-127-472 |
0.71 |
CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
|
|
| MCULE-2768288313 |
0.71 |
C1(=O)C=C2[C@](C)(C=C1)C1[C@]([H])([C@@]3([H])[C@@](CC=1)(C)C(C(=O)COC(C)=O)=CC3)CC2
|
|
| MCULE-8068988767 |
0.71 |
C[C@]12CC=C3[C@](CCC4[C@]3(C)C=CC(=O)C=4)([H])[C@]1([H])CC=C2C(=O)COC(=O)C
|
|
| MCULE-5757704123 |
0.71 |
C123C(CCC4=CC(=O)C=CC14C)C1CCC(O)(C(CO)=O)C1(CC2O3)C
|
|
| MCULE-6325290307 |
0.71 |
C123C(CCC4=CC(=O)C=CC14C)C1CC(C(O)(C(CO)=O)C1(CC2O3)C)C
|
|
| MCULE-7970606621 |
0.71 |
C1(=O)C=C2[C@](C)(C=C1)[C@]13O[C@@]1([H])C[C@@]1(C)[C@@]([H])(C[C@@H](C)[C@]1(O)C(=O)CO)[C@]3([H])CC2
|
|
| MCULE-4781798555 |
0.71 |
[C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])C3[C@@](C)(C(=CC3)C(=O)COC(C)=O)C[C@H](O)C21)C)=O
|
|
| MCULE-6700943071 |
0.71 |
[C@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])C[C@H]([C@](O)(C(CO)=O)[C@]1(C[C@H]2O3)C)C
|
|
| MCULE-1844098719 |
0.71 |
[C@@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])C[C@H](C)[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-1119558653 |
0.71 |
[C@@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])CC[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-5494067006 |
0.71 |
C123C(CCC4=CC(=O)C=CC14C)C1CC[C@](O)(C(CO)=O)C1(CC2O3)C
|
|
| MCULE-2509173201 |
0.71 |
[C@@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])C[C@@H]([C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C)C
|
|
| MolPort-002-792-443 |
0.71 |
CC12CC3OC33C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-507-138 |
0.71 |
C[C@@H]1C[C@H]2C3CCC4=CC(=O)C=C[C@]4(C)[C@]33O[C@@H]3C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-019-940-198 |
0.71 |
CC1CC2C3CCC4=CC(=O)C=CC4(C)C33OC3CC2(C)C1(O)C(=O)CO
|
|
| MolPort-002-525-175 |
0.71 |
C[C@H]1C[C@H]2C3CC=C(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-003-986-663 |
0.71 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-002-527-667 |
0.71 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]33O[C@@H]3C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-002-530-525 |
0.71 |
C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-006-112-733 |
0.71 |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-046-765-419 |
0.71 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)[C@]33O[C@H]3C[C@]2(C)[C@]1(O)C(=O)CO
|
|
| MolPort-002-509-815 |
0.70 |
CC(=O)OCC(=O)C1=CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-046-790-507 |
0.70 |
C[C@@H]1CC(=O)C=C2C(=O)[C@H]3O[C@H]3[C@@H](C(C)(C)O)[C@@]12C
|
|
| MCULE-2150444872 |
0.70 |
C12=CC[C@]3(C(CC=C3C(=O)COC(C)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
|
|
| MolPort-046-765-391 |
0.69 |
C[C@]12C[C@H]3O[C@]33[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
|
|
| MolPort-046-689-699 |
0.69 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)C[C@@H]3O[C@]23[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-046-158-385 |
0.68 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@]21OCC1=O
|
|
| MolPort-001-900-419 |
0.68 |
COC(=O)CC1=C(C)C(=O)C=C2C(C)(C)CCCC12C
|
|
| MCULE-5352426534 |
0.68 |
C1(CC(OC)=O)=C(C)C(=O)C=C2C(CCCC21C)(C)C
|
|
| MCULE-2890971693 |
0.68 |
[C@@]12(C(=O)CO1)[C@]1(C[C@H](O)[C@@]3([H])[C@]([H])([C@]1([H])CC2)CCC1=CC(=O)C=C[C@@]13C)C
|
|
| MCULE-3919802292 |
0.68 |
[C@]12(C)CC(C(OC)=O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC=C2C(=O)COC(C)=O
|
|
| MolPort-002-509-382 |
0.68 |
COC(=O)C1C[C@@]2(C)C(CC=C2C(=O)COC(C)=O)C2CCC3=CC(=O)C=C[C@]3(C)C12
|
|
| MolPort-022-880-509 |
0.67 |
CCOC(=O)C12CCCCC1=CC(=O)CC2
|
|
| MolPort-046-688-860 |
0.67 |
CCC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]12C
|
|
| MolPort-046-688-862 |
0.67 |
CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]12C)C(=O)CO
|
|
| MolPort-046-765-392 |
0.67 |
CCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@@H]3C[C@]12C
|
|
| MolPort-039-338-979 |
0.67 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-046-153-766 |
0.67 |
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-046-153-738 |
0.67 |
CC(C)=C1C[C@H]2O[C@@]2(C)CC\C=C(C)/CC1=O
|
|
| MolPort-046-158-426 |
0.67 |
CC(C)=C1C[C@@H]2O[C@@]2(C)CC\C=C(C)\CC1=O
|
|
| MolPort-046-697-187 |
0.67 |
CC1CC=C2C(C)C1(C)CC(O)\C(C)=C\CCC1(C)OC1C2=O
|
|
| MolPort-019-937-189 |
0.67 |
CC(CCC1=C(C)C(=O)[C@@H](OC(C)=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MCULE-4761848352 |
0.67 |
CC1(C(=O)CC[C@@]2(C)[C@H]1CC(C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](OC(=O)C)C(=O)C=12)=O)C
|
|
| MCULE-8874070727 |
0.67 |
C1[C@@]2(O[C@@H]2C/C(=C(/C)\C)/C(=O)CC(C)=CC1)C
|
|
| MCULE-5590913017 |
0.67 |
C1C(C)C2(C)CC(O)C(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MCULE-4871716191 |
0.67 |
CC1([C@@H](O)CC[C@@]2(C)[C@H]1CC(C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](OC(=O)C)C(=O)C=12)=O)C
|
|
| MCULE-1193956374 |
0.67 |
C1(C)C(=O)[C@@H]2O[C@@H]2[C@@H](C)C=1
|
|
| MolPort-039-338-790 |
0.67 |
COC(=O)[C@H](C)CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
| MolPort-046-688-863 |
0.67 |
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]12C
|
|
| MolPort-039-338-978 |
0.67 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
| MolPort-002-528-109 |
0.66 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]12C
|
|
| MolPort-046-702-680 |
0.66 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-046-596-256 |
0.66 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]12C
|
|
| MolPort-006-119-261 |
0.66 |
C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-539-057 |
0.66 |
CCCCCC1CC(=O)C=C(C)C1C(=O)OCC
|
|
| MolPort-046-596-926 |
0.66 |
CC12CC3OC33C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-002-534-301 |
0.66 |
C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-697-189 |
0.66 |
CC1C(O)C=C2C(C)C1(C)CC\C(C)=C\CCC1(C)OC1C2=O
|
|
| MolPort-001-793-303 |
0.66 |
CCOC(=O)C1CCC(=O)C=C1C
|
|
| MolPort-002-508-698 |
0.66 |
CCOC(=O)C1C(CC)CC(=O)C=C1C
|
|
| MolPort-002-509-004 |
0.66 |
CCCCCCC1CC(=O)C=C(C)C1C(=O)OCC
|
|
| MolPort-000-741-514 |
0.66 |
CCCCC(CC)C1CC(=O)C=C(C)C1C(=O)OCC
|
|
| MolPort-000-740-119 |
0.66 |
CCCCC1CC(=O)C=C(C)C1C(=O)OCC
|
|
| MolPort-002-509-866 |
0.66 |
CCOC(=O)C1C(CC(C)C)CC(=O)C=C1C
|
|
| MolPort-000-717-454 |
0.66 |
CCCCCCCC1CC(=O)C=C(C)C1C(=O)OCC
|
|
| MolPort-000-697-674 |
0.66 |
CCOC(=O)C1C(CC(=O)C=C1C)C(C)C
|
|
| MCULE-9092043148 |
0.66 |
[C@@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])CC[C@](O)(C(=O)COC(C)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-1625834654 |
0.66 |
C123C(CCC4=CC(=O)CCC14C)C1CCC(O)(C(CO)=O)C1(CC2O3)C
|
|
| MCULE-3580664146 |
0.66 |
C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MCULE-4246019761 |
0.66 |
C(C)(=O)OC1CC2(C3CCC4(C)C(CCC4C3CCC2=CC1=O)OC(C)=O)[H]
|
|
| MCULE-1835452878 |
0.66 |
C(C)(=O)OC1CC2(C)C3CCC4(C)C(CCC4C3CCC2=CC1=O)=O
|
|
| MCULE-7500403231 |
0.66 |
[C@@]123[C@@]([H])(CCC4=CC(=O)CC[C@]14C)C1CC[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-8469102313 |
0.66 |
C(C)(=O)OC1CC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2=CC1=O
|
|
| MCULE-3008910536 |
0.66 |
C1(C)=CC(=O)CC(C(CCCC)CC)C1C(OCC)=O
|
|
| MCULE-7051647001 |
0.66 |
O=C1CC(CC)C(C(=O)OCC)C(C)=C1
|
|
| MCULE-7553498370 |
0.66 |
C1(C)=CC(=O)CC(CCCCCCC)C1C(OCC)=O
|
|
| MCULE-9523048589 |
0.66 |
C(OCC)(C1C(C)CC(C=C1C)=O)=O
|
|
| MCULE-5409598406 |
0.66 |
C1(C)=CC(=O)CC(CCCCCC)C1C(OCC)=O
|
|
| MCULE-1015687242 |
0.66 |
C1(C)=CC(=O)CC(C(C)C)C1C(OCC)=O
|
|
| MCULE-1260945499 |
0.66 |
C1(C)=CC(=O)CC(CC(C)C)C1C(OCC)=O
|
|
| MCULE-2910628288 |
0.66 |
C1(C)C(CCC(=O)C=1CC)C(OCC)=O
|
|
| MCULE-9206020628 |
0.66 |
C1CC2=CC(=O)[C@@]3(O[C@@H]3[C@@]2([C@H]([C@@H]1OC(=O)C)C)C)C(=C)C
|
|
| MCULE-1866389787 |
0.66 |
C1CC2(C(=O)OC)CC=CCCC2=CC1=O
|
|
| MCULE-3230992952 |
0.66 |
C1CC2=CC([C@@]3(O[C@@H]3[C@]2(C)[C@H]([C@@H]1O)C)C(=C)CO)=O
|
|
| MCULE-6037100028 |
0.66 |
O(C1C(C=CC2(C)CC=CCC21)=O)C(C)=O
|
|
| MCULE-2614241915 |
0.66 |
C[C@]12C[C@H](O)[C@]3([H])[C@]4(C=CC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(C(=O)C)OC(=O)CC)C
|
|
| MolPort-023-274-323 |
0.66 |
C[C@H]1[C@@H](CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(C)=C)OC(C)=O
|
|
| MolPort-008-268-236 |
0.66 |
C[C@H]1[C@H](O)CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(=C)CO
|
|
| MolPort-046-692-277 |
0.66 |
CCCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)C1=O
|
|
| MolPort-006-123-274 |
0.66 |
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(C)=O
|
|
| MolPort-046-203-369 |
0.65 |
CCOC(=O)C12CCCC1=CC(=O)CC2
|
|
| MolPort-046-762-599 |
0.65 |
CC(=O)OCC(=O)C1=CC[C@@H]2C3C[C@@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]33O[C@@H]3C[C@]12C
|
|
| MolPort-006-069-349 |
0.65 |
CCCCCC1=CC(=O)C=C(OC)C1=O
|
|
| MCULE-8108870987 |
0.65 |
C1(OC)C(=O)C(CCCCC)=CC(=O)C=1
|
|
| MCULE-3130202047 |
0.65 |
C1C(O)[C@@]2(C3CC([C@@]4(C(OC(C)C([C@@]4(C(OC)=O)[C@]3(C)C(C(=C2C(C)(C)C1=O)O)=O)=O)=O)C)=C)C
|
|
| MCULE-9618013702 |
0.65 |
O=C1C=C2C(COCC2)CC1
|
|
| MCULE-2991933231 |
0.65 |
[C@]12(C)CCC(C=C1CCC[C@@H]2OC(C)(C)C)=O
|
|
| MCULE-6421717076 |
0.65 |
O=C(OC)[C@H]1[C@]2([H])[C@@]3(O[C@]3([H])C[C@]3([C@@]2([H])CC[C@]23CC(=O)CO2)C)[C@]2(CCC(=O)C=C2C1)C
|
|
| MCULE-9858855246 |
0.65 |
O=C(OC)[C@H]1[C@]2([H])[C@@]3(O[C@]3([H])C[C@]3([C@@]2([H])CC[C@]23CC(=O)CO2)C)[C@]2(CCC(=O)C=C2C1)C
|
|
| MCULE-4917707226 |
0.65 |
C12(C(OCC)=O)C=CC(=O)C1C1CC2C=C1
|
|
| MCULE-9287144806 |
0.65 |
C1=CC2(C)C3CCC4(C)C(C(C)=O)OC(=O)CC4C3CCC2=CC1=O
|
|
| MCULE-7646984935 |
0.65 |
NC1CC(C(C2OCCCC=2)=O)=CC1
|
|
| MCULE-8967422657 |
0.65 |
O1C(C)(C)CCCC1(C)C(=O)C=CCC
|
|
| MCULE-7783857639 |
0.65 |
C1(C(C)C(C(=O)OC2CC(C)CCC2C(C)C)C(C)=CC1=O)C(=O)OC1CC(C)CCC1C(C)C
|
|
| MolPort-002-799-650 |
0.65 |
CC(C)(C)O[C@H]1CCCC2=CC(=O)CC[C@]12C
|
|
| MolPort-046-420-032 |
0.65 |
O=C1CCC2COCCC2=C1
|
|
| MolPort-006-668-247 |
0.65 |
COC(=O)[C@@]12C(=O)C(C)OC(=O)[C@@]1(C)C(=C)CC1[C@@]3(C)C(O)CC(=O)C(C)(C)C3=C(O)C(=O)[C@@]21C
|
|
| MolPort-023-278-923 |
0.65 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CC(=O)CO2)[C@H]13
|
|
| MolPort-038-386-633 |
0.65 |
CC(=O)C1OC(=O)CC2C3CCC4=CC(=O)C=CC4(C)C3CCC12C
|
|
| MolPort-002-135-205 |
0.65 |
CC\C=C\C(=O)C1(C)CCCC(C)(C)O1
|
|
| MolPort-023-276-142 |
0.64 |
CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-001-739-910 |
0.64 |
COC(=O)C12C(O)=C(C)C(=O)C1(C)C(C)=CC1C2(C)CCC2C(C)(C)C3CCC12C(=O)O3
|
|
| MolPort-002-520-230 |
0.64 |
CCC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]12C
|
|
| MolPort-046-692-054 |
0.64 |
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-046-697-190 |
0.64 |
CC1CC(O)C2=C(C)C1(C)CC\C(C)=C\CCC1(C)OC1C2=O
|
|
| MCULE-8796757470 |
0.64 |
O=C1CCC23C4CCC5(C)C(CCC5C4(CCC2=C1)OC3=O)C(N)=O
|
|
| MCULE-8177568528 |
0.64 |
C1(=O)C(C2[C@@]([H])(C=C1O)[C@@]1(C)[C@]([H])([C@]3([C@@](CC1=O)(C)[C@@H]([C@](O)(C)C(=O)/C=C/C(O)(C)C)[C@H](O)C3)C)CC=2)(C)C
|
|
| MCULE-1814135588 |
0.64 |
C1[C@@]2([H])[C@]3(C)C(=O)C[C@]4(C)[C@@]([H])([C@@](C)(O)C(C=CC(C)(C)O)=O)[C@H](O)C[C@@]4(C)[C@]3([H])CC=C2C(C)(C)C(=O)C=1O
|
|
| MCULE-9503445542 |
0.64 |
[C@]12(C)CC(O)[C@]3(C(CCC4=CC(=O)C=C[C@]34C)C1CC=C2C(=O)COC(CC)=O)F
|
|
| MCULE-9315688246 |
0.64 |
C1CC23C4C=C(C)C5(C(C(=C(C5=O)C)O)(C4(CCC2C(C)(C1OC3=O)C)C)C(OC)=O)C
|
|
| MCULE-8321853166 |
0.64 |
C1C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(=C2C)C1O
|
|
| MCULE-5710990298 |
0.64 |
NC1CC(C(C2OCCC=2)=O)=CC1
|
|
| MCULE-6036890686 |
0.64 |
O=C(OCC)C1C(=O)C=C(C)C(C(=O)OCC)C1CC
|
|
| MolPort-039-338-977 |
0.64 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-000-165-331 |
0.64 |
CCCCCCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O
|
|
| MolPort-000-165-326 |
0.64 |
CCCC\C=C\CCCCCCCCCC1=C(O)C(=O)C=C(OC)C1=O
|
|
| MolPort-001-739-300 |
0.63 |
COC(=O)[C@]12C(O)=C(C)C(=O)[C@@]1(C)C(C)=CC1[C@@]34CC[C@@H](OC(C)=O)C(C)(C)C3C(C[C@@]21C)OC4=O
|
|
| MolPort-035-705-836 |
0.63 |
CC(COC(C)=O)C1=C(O)C(=O)C2=C([C@H](O)[C@@H](O)[C@H]3C(C)(C)CCC[C@]23C)C1=O
|
|
| MolPort-006-118-951 |
0.63 |
CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-000-827-126 |
0.63 |
CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C
|
|
| MolPort-027-848-173 |
0.63 |
CCCCCCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C
|
|
| MolPort-002-530-377 |
0.63 |
CCCCCCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-002-507-474 |
0.63 |
CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C
|
|
| MolPort-046-596-371 |
0.63 |
CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(O)C[C@]12C
|
|
| MolPort-046-765-420 |
0.63 |
CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-002-799-473 |
0.63 |
CC(=O)OCC1CCCC2=C(C)C(=O)CCC12COC(C)=O
|
|
| MCULE-5462754937 |
0.63 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(CC)=O
|
|
| MCULE-4877956227 |
0.63 |
[C@]12([H])[C@@H](O)C[C@]3(C)[C@@](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)C=C[C@]21C)(O)C(=O)COC(=O)C(C)(C)C
|
|
| MCULE-8015339526 |
0.63 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCCCCC)=O)[H]
|
|
| MCULE-9628114351 |
0.63 |
[C@]12(C)C[C@H](O)[C@@]3([C@@]4(C)C=CC(=O)C=C4CC[C@@]3([H])[C@@]1(CC[C@]2(O)C(=O)COC(=O)CC(C)(C)C)[H])[H]
|
|
| MCULE-6328864567 |
0.63 |
[C@]12(C)CC(O)C3[C@@]([H])(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)C(C)(C)C
|
|
| MCULE-4494500718 |
0.63 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CC)=O)[H]
|
|
| MCULE-8198401941 |
0.63 |
C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2=C)=C1
|
|
| MCULE-7796574971 |
0.63 |
C1(CC(OC)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
|
|
| MCULE-9904933861 |
0.63 |
C1(CC(OC)=O)=C(C)C(=O)CC2C(CCCC12C)(C)C
|
|
| MCULE-1565907583 |
0.63 |
O=C1C(OC)=C(OC)C(=O)C(C)=C1CCCCCCCCCC
|
|
| MCULE-6391829243 |
0.63 |
C1(OC)C(=O)C(CCCCCCCCCCO)=C(C(=O)C=1OC)C
|
|
| MCULE-5893556382 |
0.63 |
C1(C(CCCC=1O)=O)C(CC(OC)=O)C1C(CCCC=1O)=O
|
|
| MCULE-4484818094 |
0.63 |
O=C(OC1CC(C)=C(CC=C)C1=O)C1C(/C=C(\C)/C)C1(C)C
|
|
| MolPort-001-825-650 |
0.63 |
COC(=O)CC1=C(C)C(=O)CC2C(C)(C)CCCC12C
|
|
| MolPort-001-758-008 |
0.63 |
COC1=C(OC)C(=O)C(CCCCCCCCCCO)=C(C)C1=O
|
|
| MolPort-002-696-120 |
0.63 |
COC(=O)CC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C
|
|
| MolPort-003-941-153 |
0.63 |
CCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O
|
|
| MolPort-002-841-867 |
0.63 |
CC(C)CCCC(C)[C@H]1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OC(C)(C)C
|
|
| MolPort-000-165-332 |
0.63 |
CCCC\C=C\CCCCCCCCCCCCCC1=C(OC)C(=O)C(C)=C(OC)C1=O
|
|
| MolPort-046-765-487 |
0.63 |
CCCCCCC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-006-395-031 |
0.63 |
COC(=O)[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21
|
|
| MolPort-046-763-074 |
0.63 |
CCC(=O)OCC(=O)C1(OC(=O)CC)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]33O[C@H]3C[C@]12C
|
|
| MolPort-046-762-597 |
0.62 |
CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C
|
|
| MolPort-002-508-657 |
0.62 |
CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@]12C
|
|
| MolPort-000-789-164 |
0.62 |
COC(=O)C1C(CC(=O)C=C1C)C(C)C
|
|
| MolPort-002-538-832 |
0.62 |
COC(=O)C1C(CC(C)C)CC(=O)C=C1C
|
|
| MolPort-002-537-778 |
0.62 |
CCC1CC(=O)C=C(C)C1C(=O)OC
|
|
| MolPort-002-509-426 |
0.62 |
CCCC1CC(=O)C=C(C)C1C(=O)OC
|
|
| MolPort-042-923-467 |
0.62 |
COC(=O)C1C(C)CC(=O)C=C1C
|
|
| MolPort-000-713-739 |
0.62 |
CCCCCC1CC(=O)C=C(C)C1C(=O)OC
|
|
| MolPort-002-529-145 |
0.62 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]2(C)[C@@]1(O)C(=O)CO)OC(C)=O
|
|
| MolPort-046-597-650 |
0.62 |
C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(C[C@]2(C)[C@@]1(O)C(=O)CO)OC(C)=O
|
|
| MCULE-1338692318 |
0.62 |
[C@]12(C)CC(O)[C@]3(C(CCC4=CC(=O)C=C[C@]34C)C1CC=C2C(=O)COC(C)=O)F
|
|
| MCULE-7557361657 |
0.62 |
COC(C1C(C)=CC(=O)CC1CC(C)C)=O
|
|
| MCULE-5808327631 |
0.62 |
C1(C)=CC(=O)CC(C(C)C)C1C(OC)=O
|
|
| MCULE-2093089655 |
0.62 |
C1(C)=CC(=O)CC(CCC)C1C(OC)=O
|
|
| MCULE-9361020402 |
0.62 |
C1(C(OC)=O)CCC(=O)C=C1C
|
|
| MCULE-4072425654 |
0.62 |
O=C1CC(C)C(C(=O)OC)C(C)=C1
|
|
| MCULE-3551560150 |
0.62 |
C1(C)=CC(=O)CC(CCCCC)C1C(OC)=O
|
|
| MCULE-9358218393 |
0.62 |
C1(C)=CC(=O)CC(CC)C1C(OC)=O
|
|
| MCULE-8064344923 |
0.62 |
[C@]12(C)C[C@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-9693974809 |
0.62 |
O=C1[C@]2([C@](C(=O)C(C)=C1O)([H])O2)[H]
|
|
| MCULE-6981908624 |
0.62 |
C12(C)C=CC(C=C1C(CC1([H])C3(C(C)(C(CC3)(OC(CC)=O)C(=O)COC(C)=O)CC(O)C21[H])[H])C)=O
|
|
| MCULE-6568122363 |
0.62 |
[C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@@](CC3)(OC(CC)=O)C(=O)COC(C)=O)C[C@H](O)[C@]21[H])[H])C)=O
|
|
| MCULE-7648693618 |
0.62 |
[C@]12(C)CC=C3C(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-3718325887 |
0.62 |
O(C(CC)=O)[C@]1(C(COC(C)=O)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(C=C[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)=O
|
|
| MCULE-5657172823 |
0.62 |
O(C(CCCC)=O)[C@]1(C(COC(C)=O)=O)CC[C@H]2[C@@H]3CCC4=CC(C=C[C@]4(C)[C@H]3[C@H](C[C@@]21C)O)=O
|
|
| MCULE-7071448896 |
0.62 |
O=C(C1OCCC=1)C1CCC2(CC2)CC1
|
|
| MCULE-6899994435 |
0.62 |
O=C(C1OCCC=1)C1CC2(CC2)CCC1
|
|
| MCULE-6032912429 |
0.62 |
[C@]12(C)C[C@H](OC(CCC)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC=C2C(=O)COC(C)=O)F
|
|
| MCULE-8329941805 |
0.62 |
[C@]12(C)C[C@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-6074025811 |
0.62 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-4387351983 |
0.62 |
[C@]12(C)C[C@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-4900002928 |
0.62 |
C1=CC2(C)C3[C@@H](OC(C)=O)CC4(C)[C@](C(=O)COC(C)=O)(O)CCC4C3C[C@H](C)C2=CC1=O
|
|
| MCULE-6218547779 |
0.62 |
C12=CC[C@]3([C@@]([H])(CC[C@]3(O)C(=O)COC(C)=O)[C@]1([H])CCC1=CC(=O)C=C[C@]21C)C
|
|
| MCULE-2014104728 |
0.62 |
[C@]12(C)CC=C3[C@@]([H])(CCC4=CC(=O)C=C[C@]34C)C1C[C@@H](C)[C@]2(O)C(=O)COC(C)=O
|
|
| MolPort-006-393-951 |
0.62 |
[K+].COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]2(O)CCC([O-])=O)[C@H]13
|
|
| MolPort-020-001-866 |
0.62 |
CCC(=O)OC1(CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3C(O)CC12C)C(=O)COC(C)=O
|
|
| MolPort-046-765-474 |
0.62 |
C[C@]12CC[C@]34OC(=O)[C@H](CC5=CC(=O)CC[C@]35C)C4[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-023-276-091 |
0.62 |
CC1=C(O)C(=O)[C@@H]2O[C@@H]2C1=O
|
|
| MolPort-005-943-418 |
0.62 |
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
|
|
| MolPort-002-512-073 |
0.62 |
CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C)OC(C)=O
|
|
| MolPort-002-799-475 |
0.62 |
COC(=O)C1CCCC2=C(C)C(=O)CCC12C(=O)OC
|
|
| MolPort-029-999-964 |
0.62 |
CCCC(=O)OC1C[C@@]2(C)C(CC=C2C(=O)COC(C)=O)C2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F
|
|
| MolPort-002-528-899 |
0.62 |
CCCC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC=C2C(=O)COC(C)=O)[C@@H]2CCC3=CC(=O)C=C[C@]3(C)[C@@]12F
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CC(C)C1=C(O)C(=O)C2=C(CC[C@H]3C(C)(C)CCC[C@]23C)C1=O
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CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(CC12C)OC(C)=O
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CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]12C)OC(C)=O
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C[C@@H]1CC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(C[C@]12C)OC(C)=O
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CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
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C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O)OC(C)=O
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CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(C[C@]12C)OC(C)=O
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CC(=O)\C=C\C1C2(C)OC2CCC1(C)C
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CCCCCC1=CC(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O
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C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
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CC1OC(=O)C2(C1=O)C(=C)C(C)(CC1=C(C)C3(CCC21C)C=CC(=O)OC3(C)C)C(O)=O
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C
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COC(=O)[C@@]12C=CC(=O)[C@@H]1[C@H]1C[C@@H]2C=C1
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CC1CC2C3CCC(O)(C(=O)COC(C)=O)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
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CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@]12C
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CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
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CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C
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| MCULE-3010634521 |
0.61 |
[C@]12(C)CC(OC(C)=O)[C@]3(C(CCC4=CC(=O)C=C[C@]34C)C1CC=C2C(=O)COC(C)=O)F
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| MCULE-6555213596 |
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C1(=C(C(C2=C(C3CCC2C(C)=C3)C1=O)=O)OC)OC
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|
| MCULE-1972388021 |
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O=C(C1OCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
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| MCULE-1689029135 |
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O=C(C1OCCC=1)C1C2C(C2)CCC1
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| MCULE-4172276793 |
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O=C(C12CCCC1C2)C1OCCC=1
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| MCULE-5917433710 |
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O=C(C1OCCC=1)C1C2(CCOCC2)C1
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| MCULE-8822838184 |
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C1C[C@]2(C)C3[C@@H](OC(=O)C)C[C@]4(C)[C@@H](C(=O)COC(=O)C)CCC4C3CCC2=CC1=O
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| MCULE-1714768829 |
0.61 |
CC(=O)OCC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@]([C@H](C2)O)([H])[C@]2(C)C(=CC(=O)C=C2)[C@@H](C)C3)[H])([H])CC1)O
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| MCULE-6383206380 |
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O=C1C=CC2(C)C3C(O)CC4(C)C(O)(CCC4C3CC(C)C2=C1)C(COC(C)=O)=O
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| MCULE-5825350607 |
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[C@@]12([H])C[C@@H](C3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@H](C[C@]1(C)[C@@](CC[C@@]21[H])(O)C(=O)COC(=O)C)O)C
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| MCULE-1931070505 |
0.61 |
C1(CC2=C(C)C3(C=CC(=O)OC3(C)C)CCC2(C)C2(C1=C)C(=O)OC(C)C2=O)(C(=O)O)C
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| MCULE-6163429552 |
0.61 |
[C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])C3[C@@](C)([C@@](CC3)(O)C(=O)COC(C)=O)CC(O)C21)C)=O
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|
| MCULE-3358949662 |
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O(C(=O)C)C(C)(C)/C=C/C(=O)[C@@](O)(C)[C@@]1([H])[C@H](O)C[C@]2(C)[C@]1(C)CC(=O)[C@@]1(C)[C@]3([H])C=C(O)C(=O)C(C)(C)C3=CC[C@]12[H]
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| MCULE-8460337326 |
0.61 |
C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
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| MCULE-4825273969 |
0.61 |
[C@]12(C(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
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|
| MCULE-4986901322 |
0.61 |
C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
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| MCULE-3655751389 |
0.61 |
[C@]12(O[C@@H]1C[C@@]1([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]21C)C(=O)C
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|
| MCULE-7409296969 |
0.61 |
[C@@]12(C(C)=O)O[C@]1(C)CC1[C@]3(C(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
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|
| MCULE-6390957697 |
0.61 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC=C2C(=O)COC(C)=O
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| MCULE-8546366669 |
0.61 |
[C@]12(C)C[C@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(=O)COC(C)=O)[H]
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| MCULE-5035790043 |
0.61 |
[C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@@](CC3)(OC(C)=O)C(=O)COC(C)=O)C[C@H](OC(C)=O)[C@]21[H])[H])C)=O
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|
| MCULE-1684395189 |
0.61 |
C1=CC2C(C(CCC2C2(C)C1C(C)(C(CCC)=O)OC2=O)C)O
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| MCULE-6243457309 |
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C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
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| MCULE-9513148820 |
0.61 |
O=C1C=C(CCC2OCCCC2)CCC1
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|
| MCULE-2846121944 |
0.61 |
O=C(C1OCCC=1)C1C2(CC2)C1
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|
| MCULE-2469940549 |
0.61 |
CC(C1C(C(C2OCCC=2)=O)C1)(C)C
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|
| MCULE-8388945163 |
0.61 |
CC(C(C1OCCC=1)=O)C1CCC1
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| MCULE-6085619223 |
0.61 |
[C@]12(C)C=CC(C=C1CC[C@@]1([H])C3[C@@](C)(OC(CC3)=O)CCC21)=O
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|
| MCULE-7345759760 |
0.61 |
O=C1CCC2(C)C(CCCC2=C1OC)=O
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|
| MCULE-6344173047 |
0.61 |
C12CC=C(OC)CC=1CC[C@]1([H])[C@]2([H])CC[C@]2(CC)C(CC[C@]21[H])=O
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|
| MCULE-4237653760 |
0.61 |
O=C1CCC2C3CCC4CC(=CCC=4C3CCC21CC)OC
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|
| MCULE-7760391261 |
0.61 |
O=C1O[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)C=C2)CC3)[H])([H])CC1
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|
| MCULE-5483330032 |
0.61 |
O[C@@H]1[C@H]2[C@@H](C[C@H](C)C3[C@]2(C)C=CC(=O)C=3)[C@H]2[C@@](C)([C@](C(=O)COC(=O)CCC(O)=O)(O)CC2)C1
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|
| MCULE-7209202316 |
0.61 |
C12(C)CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)COC(CCC(O)=O)=O
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|
| MCULE-3190191335 |
0.61 |
C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@](O)(C(=O)COC(=O)CCC(O)=O)CC3)CC2
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|
| MCULE-8945561023 |
0.61 |
C1=C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@](C(=O)COC(=O)CCC(=O)O)(O)CC[C@@]4([H])[C@]3([H])C[C@H](C)C2=CC1=O
|
|
| MCULE-5290043179 |
0.61 |
O=C1CCC23C4CCC5(C)C(CCC5C4(CCC2=C1)OC3OC)C(OC)=O
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|
| MCULE-8109250856 |
0.61 |
[C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)C=CC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC(=O)O)O
|
|
| MCULE-6665058711 |
0.61 |
C12(C)CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)COC(CCC(O)=O)=O
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| MolPort-002-526-864 |
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CC(=O)[C@@]12O[C@]1(C)CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
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| MolPort-046-596-327 |
0.61 |
CC(=O)[C@@]12O[C@]1(C)CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
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|
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CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
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CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
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CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C
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CC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
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CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
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CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
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CC(=O)OCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
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CC(=O)OCC(=O)[C@]1(CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(C[C@]12C)OC(C)=O)OC(C)=O
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CC(=O)OCC(=O)C1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(CC12C)OC(C)=O)OC(C)=O
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CCOC(=O)C1CCC(=O)C=C1C(F)(F)F
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CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]12C)OC(C)=O)OC(C)=O
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C[C@H]1CC2C3CC[C@](OC(C)=O)(C(=O)COC(C)=O)[C@@]3(C)CC(OC(C)=O)C2[C@@]2(C)C=CC(=O)C=C12
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C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(=O)COC(C)=O)[C@@]3(C)C[C@H](OC(C)=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
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CCCC(=O)C1(C)OC(=O)C2(C)C1C=CC1C(O)C(C)CCC21
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C[C@@H]1CCC=C2C(=O)C=C[C@@H](C(C)(C)O)[C@@]12C
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CC[C@]12CC[C@H]3[C@@H](CCC4=C3CC=C(C4)OC)[C@@H]1CCC2=O
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COC1=C2CCCC(=O)C2(C)CCC1=O
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C[C@@H]1C[C@H]2[C@H]3CCC(OC(=O)CCC(O)=O)(C(=O)CO)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
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C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
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C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)CCC(O)=O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
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C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
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CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
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C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
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CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
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C[C@H]1CC2C3CC[C@](O)(C(=O)COC(C)=O)[C@@]3(C)CC=C2[C@@]2(C)CCC(=O)C=C12
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CCCC(=O)OC[C@]1(C)C=C(C=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@@]3(CC[C@@]12C)C(=O)OC
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CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
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0.60 |
CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(=O)C(C)(C)C)[C@@H]3CC=C2C1
|
|
| MolPort-039-338-789 |
0.60 |
COC(=O)[C@H](C)CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
| MolPort-046-765-349 |
0.60 |
CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]12C)C(=O)COC(C)=O
|
|
| MolPort-003-666-471 |
0.60 |
[Na+].C[C@H]1CC2C3CC[C@](O)(C(=O)COC(=O)CCC([O-])=O)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-046-765-479 |
0.60 |
C[C@]12CC=C3[C@H]([C@@H]1CC[C@@]21CCC(=O)O1)C(CC1=CC(=O)CC[C@]31C)C(O)=O
|
|
| MolPort-020-393-553 |
0.60 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-003-986-216 |
0.60 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
|
|
| MolPort-006-393-950 |
0.60 |
[2H]C([2H])([2H])OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
|
|
| MolPort-006-069-223 |
0.60 |
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-035-394-839 |
0.60 |
COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13
|
|
| MolPort-006-114-238 |
0.60 |
[Na+].C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC([O-])=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-006-167-612 |
0.60 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23OC2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)C13
|
|
| MolPort-042-683-898 |
0.60 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)C13
|
|
| MolPort-046-761-006 |
0.60 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
|
|
| MolPort-002-145-709 |
0.60 |
COC(=O)C1CC2=CC(=O)CCC2(C)C2=CCC3(C)C(CCC33CCC(=O)O3)C12
|
|
| MolPort-046-793-025 |
0.60 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)CCC(O)=O)(C(=O)C=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MCULE-8553893906 |
0.60 |
O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(COC(C)=O)=O)C=O
|
|
| MCULE-6651693585 |
0.60 |
O=C1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CCC2=C1)C(O)=O
|
|
| MCULE-1327799211 |
0.60 |
C12C3C=CC4C(=O)OC3C1C=CC24
|
|
| MCULE-2156810295 |
0.60 |
[C@]12(C)CCC(C=C1[C@@H](C)CC1C3[C@@](C)([C@@](CC3)(O)C(=O)COC(C)=O)CC=C21)=O
|
|
| MCULE-4800012179 |
0.60 |
O=C1CCC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2=C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-4935129848 |
0.60 |
C12=CC[C@]3(C(CC[C@]3(O)C(=O)COC(C)=O)C1CCC1=CC(=O)CC[C@]21C)C
|
|
| MCULE-1759693409 |
0.60 |
C1(Cl)=C(C2CCC1C=C2)C(C(OCC)=O)=O
|
|
| MCULE-8026798132 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C5=C(CC(=C(C5CC4C3CC=C2C1)C(OC)=O)C(OC)=O)C(C)=O
|
|
| MCULE-5577107972 |
0.60 |
[Na+].C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@](O)(C(=O)COC(=O)CCC([O-])=O)CC3)C[C@@H]2C
|
|
| MCULE-4306149194 |
0.60 |
[C@@]123[C@@]4(C)CCC(=O)C=C4C[C@@H](C(OC)=O)[C@@]1([H])[C@]1([H])CC[C@]4(CCC(=O)O4)[C@]1(C[C@@]2([H])O3)C
|
|
| MCULE-4098552700 |
0.60 |
C1[C@@]2(C)C(C[C@@H](C(OC)=O)[C@]3([H])C2=CC[C@@]2(C)[C@@]3([H])CC[C@]32CCC(=O)O3)=CC(=O)C1
|
|
| MCULE-4777670330 |
0.60 |
C123C4(C)CCC(=O)C=C4CC(C(OC)=O)C1C1CCC4(CCC(=O)O4)C1(CC2O3)C
|
|
| MCULE-2319475587 |
0.60 |
C1C[C@]2(C)[C@@]34O[C@@H]3C[C@]3(C)[C@]5(CCC(=O)O5)CC[C@@]3([H])[C@]4([H])[C@H](C(OC)=O)CC2=CC1=O
|
|
| MCULE-3263336722 |
0.60 |
C1(=C(CC(=C(C1)C(C(OCC)=O)=O)Cl)C)C
|
|
| MCULE-2555920424 |
0.60 |
O=C(OC)[C@H]1[C@]2([H])C(=CC[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)[C@]2(C)C(=CC(=O)CC2)C1
|
|
| MCULE-7854744392 |
0.60 |
[C@@]123[C@@]4(C)CCC(=O)C=C4C[C@@H](C(OC)=O)[C@@]1([H])[C@]1([H])CC[C@]4(CCC(=O)O4)[C@]1(C[C@@]2([H])O3)C
|
|
| MCULE-3182648614 |
0.60 |
C1(=O)C=C(OC)C(=O)C(C[C@H](O)C)=C1C
|
|
| MCULE-3334544373 |
0.60 |
C12=CCC3(C(CCC43CCC(=O)O4)C1C(CC1=CC(=O)CCC21C)C(OC)=O)C
|
|
| MCULE-1065163743 |
0.60 |
[C@]12([H])[C@@H](O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)COC(=O)C
|
|
| MCULE-3045904199 |
0.60 |
C1(CCCCCCCCCCC)=C(O)C(=O)C=C(OC(C)=O)C1=O
|
|
| MCULE-6828135112 |
0.60 |
C1[C@@H]2C[C@]32[C@]2(O)C(=O)C[C@@](C)(C=C)C=C2C(=O)C(O)=C3[C@@](C(=O)O)(C)C1
|
|
| MCULE-7083098838 |
0.60 |
O=C(C12CCCC1C2)C1OCCCC=1
|
|
| MCULE-4846663089 |
0.60 |
O=C(C1OCCCC=1)C1CC2C(C2)CC1
|
|
| MCULE-1885429632 |
0.60 |
[C@]12(C)CCC(CC1=CC(=O)C1C2CC[C@]2(C1CCC2OC(C)=O)C)OC(C)=O
|
|
| MCULE-5957376137 |
0.60 |
O=C(C1OCCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
|
|
| MCULE-4735662565 |
0.60 |
O=C(C1OCCCC=1)C1C2C(C2)CCC1
|
|
| MCULE-6631619200 |
0.60 |
O=C(C12CCCCC1C2)C1OCCCC=1
|
|
| MCULE-3785825090 |
0.60 |
C1(C=O)[C@]2([H])C(=O)[C@@H](O)[C@@H](C)[C@@]2([H])C[C@]2(C)CCC(C(C)CO)=C2CC=1
|
|
| MCULE-7639346141 |
0.60 |
C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)[C@H]1O
|
|
| MCULE-5021218903 |
0.60 |
[C@]12(C)C[C@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-2126738487 |
0.60 |
C1=CC(O)(C(OC(C(CC(C)C(=O)C(=CC(C)C1=O)C)C)=O)CC)C
|
|
| MCULE-9191884874 |
0.60 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)C=CC34C)C1C[C@@H](O)[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-7236722260 |
0.60 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@@](CCC21)(C)OC(=O)C)=O
|
|
| MCULE-7490760496 |
0.60 |
O=C1C=C2CC[C@H]3[C@@H]4CC[C@H](OC(=O)CCCCCCCCC=C)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=C1
|
|
| MCULE-7919520627 |
0.60 |
[C@@]12([H])CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCCCCC=C
|
|
