| MCULE-4079562606 |
1 |
[C@]12(C)[C@@]3(CO3)[C@@H]3O[C@@H]3[C@@]1(O)[C@@H]1[C@H](C(C)=C)[C@H](OC1=O)[C@H]2O |
|
| MolPort-039-338-357 |
1 |
CC(=C)[C@@H]1[C@@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]1(C)[C@@H]2O |
|
| MCULE-1451397208 |
0.97 |
[C@@]12(C)[C@@]3(O)CO[C@@H]1[C@H]1OC(=O)[C@@H]([C@@H]1C(C)=C)[C@]2(O)[C@H]1O[C@@H]31 |
|
| MolPort-039-052-517 |
0.97 |
CC(=C)[C@@H]1[C@@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(O)CO[C@H]2[C@]13C |
|
| MCULE-9197885325 |
0.96 |
[C@]12(C)[C@@]3(CO3)[C@@H]3O[C@@H]3[C@@]1(O)[C@@H]1[C@H](C(C)=C)[C@H](OC1=O)[C@H]2OC(C)=O |
|
| MCULE-4463783872 |
0.96 |
[C@@]12(C)[C@@]3(OC(=O)C)CO[C@@H]1[C@H]1OC(=O)[C@@H]([C@@H]1C(C)=C)[C@]2(O)[C@H]1O[C@@H]31 |
|
| MolPort-039-052-522 |
0.96 |
CC(=O)O[C@@H]1[C@H]2OC(=O)[C@@H]([C@@H]2C(C)=C)[C@]2(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]12C |
|
| MolPort-039-338-145 |
0.96 |
CC(=O)O[C@]12CO[C@@H]3[C@H]4OC(=O)[C@@H]([C@@H]4C(C)=C)[C@](O)([C@H]4O[C@@H]14)[C@]23C |
|
| MCULE-1845563716 |
0.88 |
O=C1O[C@]2([H])[C@H](C(C)(O)C)[C@]1([C@]1([C@]3([C@]2([H])OC(=O)[C@@]23O[C@]2([H])C1)C)O)[H].O=C1OC2C(C(=C)C)C1C1(C3(C2OC(=O)C23OC2C1)C)O |
|
| MCULE-1130606606 |
0.88 |
O1[C@@H]2C[C@@]3([C@H]4C(=O)O[C@H]([C@H]4C(=C)C)[C@@H]4[C@]3(C)[C@]12C(=O)O4)O |
|
| MCULE-5844154032 |
0.88 |
[C@@]123C(=O)O[C@@H]4[C@@H]5OC(=O)[C@@H]([C@@H]5C(C)=C)[C@@](C[C@]1(O2)[H])(O)[C@]34C |
|
| MCULE-4803801964 |
0.88 |
O1[C@@H]2C[C@@]3([C@H]4C(=O)O[C@H]([C@H]4C(=C)C)[C@@H]4[C@]3(C)[C@]12C(=O)O4)O.O1[C@@H]2C[C@@]3([C@H]4C(=O)O[C@H]([C@H]4C(C)(C)O)[C@@H]4[C@]3(C)[C@]12C(=O)O4)O |
|
| MCULE-3285933896 |
0.88 |
O=C1O[C@]2([H])[C@@H](C(=C)C)[C@]1([C@]1([C@]3([C@]2([H])OC(=O)[C@@]23O[C@]2([H])C1)C)O)[H] |
|
| MCULE-1048308281 |
0.88 |
C123C(=O)OC4C5OC(=O)C(C5C(C)=C)C(CC1(O2)[H])(O)C34C |
|
| MolPort-003-800-101 |
0.88 |
CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C.CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C |
|
| MolPort-046-683-168 |
0.88 |
CC(=C)C1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C.CC(C)(O)C1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C |
|
| MCULE-6893538378 |
0.87 |
[C@@]12(O)[C@@H]3[C@H](C(C)(C)O)[C@@H](OC3=O)[C@H]3OC(=O)C([C@@]4(OC14)[H])[C@@]23C.[C@@]123C(=O)O[C@@H]4[C@@H]5OC(=O)[C@@H]([C@@H]5C(C)=C)[C@@](C[C@]1(O2)[H])(O)[C@]34C |
|
| MolPort-002-535-209 |
0.87 |
CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C.CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C3O[C@H]3C3C(=O)O[C@H]2[C@]13C |
|
| MolPort-046-764-663 |
0.82 |
C[C@@]12[C@H]3[C@@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)[C@H]1O[C@H]1[C@@H]2O |
|
| MCULE-3420584861 |
0.81 |
[C@@H]12OC1(C)C[C@@H](OC(=O)C)[C@H]1C(=C)C(=O)O[C@@H]1[C@@H]1O[C@]1(C)CC2 |
|
| MolPort-039-052-446 |
0.81 |
CC(=O)O[C@@H]1C[C@]2(C)O[C@H]2CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@H]12 |
|
| MolPort-044-723-209 |
0.81 |
CC(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@H]12 |
|
| MCULE-5500763468 |
0.80 |
C1C[C@@]2(C)[C@]3([H])CC[C@H]4C(=C)C[C@@]3(C4)[C@@H](O)[C@@H]3OC(=O)[C@@](CO)([C@]23[H])C1 |
|
| MolPort-038-386-039 |
0.80 |
C[C@@]12CCC[C@]3(CO)[C@H]1[C@@H](OC3=O)[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3 |
|
| MCULE-4831133913 |
0.79 |
C123C(O)CC(C(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O)O |
|
| MCULE-9259214707 |
0.79 |
C1C[C@]2(C)[C@@]3([H])[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(=C)C[C@]64[H])CC[C@@]5(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O |
|
| MCULE-4238406488 |
0.79 |
C1C[C@@]2([C@@]3([C@@H](CC[C@H]2C)C(=C)C(=O)O3)[C@@H]2O[C@]12C)[H] |
|
| MCULE-1483617312 |
0.79 |
[C@H]12[C@@](O1)(C)CC[C@@]1([H])[C@H](C)CC[C@H]3C(C(=O)O[C@@]231)=C |
|
| MCULE-3568270570 |
0.79 |
C12C(O1)(C)CCC1([H])C(C)CCC3C(C(=O)OC231)=C |
|
| MCULE-8535981390 |
0.79 |
[C@]12(C)[C@@]3(CO3)[C@@H]3O[C@@H]3[C@@]1(O)[C@@H]1[C@H](C(O)(C)C)[C@H](OC1=O)[C@H]2O |
|
| MCULE-2755410519 |
0.79 |
C12(O)C(=C)CCC(O)C1(C)CCC1C(C(=O)OC21)C |
|
| MolPort-039-338-405 |
0.79 |
C[C@@]1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@@H]2O[C@@H]2[C@]23OC(=O)[C@@]4(CCC(=C)C[C@@H]24)CC[C@@]13C |
|
| MolPort-038-386-084 |
0.79 |
CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)CC2O)C(=C)C5 |
|
| MolPort-035-668-921 |
0.79 |
C[C@@H]1CCC2C(=C)C(=O)OC22[C@@H]3O[C@]3(C)CC[C@@H]12 |
|
| MolPort-044-179-483 |
0.79 |
C[C@H]1C2CC[C@@]3(C)[C@H](O)CCC(=C)[C@]3(O)[C@H]2OC1=O |
|
| MolPort-039-052-520 |
0.79 |
CC(C)(O)[C@@H]1[C@@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]1(C)[C@@H]2O |
|
| MolPort-007-549-135 |
0.79 |
CC1C2CCC3(C)C(O)CCC(=C)C3(O)C2OC1=O |
|
| MolPort-002-507-302 |
0.79 |
C[C@@H]1CC[C@H]2C(=C)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12 |
|
| MCULE-1480212854 |
0.78 |
C123C(O)C(O)C(C(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O)O |
|
| MolPort-038-386-083 |
0.78 |
CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)C(O)C2O)C(=C)C5 |
|
| MCULE-9561383442 |
0.77 |
[C@]12(C)[C@@]3(CO3)[C@@H]3O[C@@H]3[C@@]1(O)[C@@H]1[C@H](C(O)(C)C)[C@H](OC1=O)C2 |
|
| MCULE-7580636459 |
0.77 |
[C@]12(C)[C@@H](O)CCC(=C)C1COC2=O |
|
| MCULE-3200180671 |
0.77 |
[C@@]12(C)[C@H](O)C[C@H](O)[C@@]1([H])[C@H](C)[C@H]([C@@H]1OC(=O)C(=C)[C@H]1[C@H]2OC(C)=O)O |
|
| MCULE-9180779667 |
0.77 |
C=CC1(C)CC(OC(=O)C(C(COC(=O)C)O)=C)C(C(=C)C(=O)OC)C(O)C1C(=C)CO |
|
| MolPort-002-515-776 |
0.77 |
C[C@H]1[C@@H]2[C@@H](O)C[C@@H](O)[C@@]2(C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(=O)C2=C)[C@@H]1O |
|
| MolPort-006-668-457 |
0.77 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(=C)C(O)COC(C)=O)C=C |
|
| MolPort-038-386-575 |
0.77 |
C[C@@H]1C2C(=O)O[C@@H]3[C@H](O)C4C(=C)C[C@H](O)[C@@H](O)[C@]4(C)C([C@@H](O)[C@@H]1O)[C@]23C |
|
| MolPort-039-052-518 |
0.77 |
CC(C)(O)[C@@H]1[C@H]2C[C@@]3(C)[C@@]4(CO4)[C@@H]4O[C@@H]4[C@@]3(O)[C@H]1C(=O)O2 |
|
| MCULE-7034575967 |
0.76 |
[C@]12(C(C)(O)CC(OCC)=O)[C@H](O1)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)OC(C)=O |
|
| MCULE-4092375452 |
0.76 |
C1C=C(C)CC(OC(=O)C)C2C(COC)C(=O)OC2C2OC2(C)C1 |
|
| MCULE-6561939625 |
0.76 |
C1CC(C)C(O)(C2(C)CC(O)C(=O)C(C)(C)OC21)CCC1C2(C(OC(C)(C)C(OC(=O)C)CC2)CCC1=C)C |
|
| MolPort-046-697-232 |
0.76 |
CC1CCC2OC(C)(C)C(=O)C(O)CC2(C)C1(O)CCC1C(=C)CCC2OC(C)(C)C(CCC12C)OC(C)=O |
|
| MolPort-046-153-173 |
0.76 |
COCC1C2C(OC1=O)C1OC1(C)CC\C=C(C)\CC2OC(C)=O |
|
| MolPort-002-514-788 |
0.76 |
CCOC(=O)CC(C)(O)[C@@]12O[C@@H]1CC1C3CC=C4CC(CC[C@]4(C)C3CC[C@]21C)OC(C)=O |
|
| MCULE-8356623115 |
0.75 |
[C@H]1(C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=C)[C@H]([C@@](C([C@H]2O[C@@H]12)=O)(C)O)OC(C(=C)C)=O)C |
|
| MCULE-3122157928 |
0.75 |
[C@H]1(C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H]([C@@H](OC(C)=O)[C@](C)(C([C@H]2O[C@@H]12)=O)O)OC(=O)C(=C)C)C |
|
| MCULE-6400529160 |
0.75 |
C1CC(=C)C2C(C3C1C(O)(COC(=O)C)C(=O)O3)C(C(O)C2)=C |
|
| MCULE-1897312553 |
0.75 |
[C@@]12(C)[C@@H](OC(C)=O)[C@@H](O)[C@]3([H])[C@@](C)([C@@]1(O)C(=O)C[C@@](C=C)(C)O2)[C@@H](O)CCC3(C)C |
|
| MCULE-2182684633 |
0.75 |
CC(OC1C2(C)C(C(CC(C=C)(O2)C)=O)(O)C2(C)C(C(CCC2O)(C)C)C1O)=O |
|
| MCULE-7944691209 |
0.75 |
C1[C@H](O)[C@@]2([C@@]3(O)C(=O)C[C@@](C=C)(C)O[C@]3(C)[C@@H](OC(C)=O)[C@@H](O)[C@@]2([H])C(C)(C)C1)C |
|
| MCULE-4671071406 |
0.75 |
C1C[C@@]2([H])[C@H](C)CC[C@@]3([H])[C@@H](C)C(=O)O[C@@]23[C@H](O)C1=C |
|
| MolPort-046-762-527 |
0.75 |
CC(=O)O[C@H]1[C@@H](O)[C@@H]2C(C)(C)CC[C@@H](O)[C@]2(C)[C@]2(O)C(=O)CC(C)(O[C@]12C)C=C |
|
| MolPort-003-983-766 |
0.75 |
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)C2(O)C(=O)C[C@@](C)(O[C@]12C)C=C |
|
| MolPort-002-493-717 |
0.75 |
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C |
|
| MolPort-006-168-487 |
0.75 |
CC(=O)OC1C(O)C2C(C)(C)CCC(O)C2(C)C2(O)C(=O)CC(C)(OC12C)C=C |
|
| MolPort-001-740-677 |
0.75 |
CC(=O)OCC1(O)C2CCC(=C)C3CC(O)C(=C)C3C2OC1=O |
|
| MolPort-001-741-114 |
0.75 |
C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=C)[C@@H](OC(C)=O)[C@@](C)(O)C(=O)[C@H]2O[C@@H]12 |
|
| MolPort-001-741-116 |
0.75 |
C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=C)[C@@H](OC(=O)C(C)=C)[C@@](C)(O)C(=O)[C@H]2O[C@@H]12 |
|
| MolPort-003-941-087 |
0.75 |
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@H]2C(=O)C[C@@](C)(O[C@]12C)C=C |
|
| MolPort-035-706-204 |
0.75 |
C[C@@H]1[C@@H]2CC[C@@H](C)[C@@H]3CCC(=C)[C@@H](O)[C@@]23OC1=O |
|
| MCULE-7070451847 |
0.74 |
C1[C@@H](OC(=O)C(C)C)[C@]2([H])[C@@]3(C)CC[C@]4(COC(=O)C4)O[C@@]3(C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2(C)C(C)=C1 |
|
| MCULE-5956894545 |
0.74 |
C123C(O)CCC(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O |
|
| MCULE-5879866289 |
0.74 |
CC(CCC(=O)O[C@@H]1[C@@H]([C@]2(O[C@](C=C)(C)CC(=O)[C@]2(O)[C@]2(C)[C@@]1(C(CC[C@@H]2O)(C)C)[H])C)OC(=O)C)C |
|
| MCULE-3711572146 |
0.74 |
[C@]123[C@@H](C)CCC[C@]1(C)C[C@@]1([C@@]([H])(C(=C)C(O1)=O)[C@@H]2O3)[H] |
|
| MolPort-035-706-493 |
0.74 |
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C |
|
| MolPort-046-196-804 |
0.74 |
CC1(C)CCC(O)C2(C)C1C(O)C(OC(=O)CCC(O)=O)C1(C)OC(C)(CC(=O)C21O)C=C |
|
| MolPort-035-705-823 |
0.74 |
CC(C)C(=O)O[C@@H]1CC=C(C)[C@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)O[C@@]4(COC(=O)C4)CC[C@]3(C)[C@@H]12 |
|
| MCULE-4885135712 |
0.73 |
[C@@]12(O)[C@@H]3[C@H](C(C)(C)O)[C@@H](OC3=O)[C@H]3OC(=O)C([C@@]4(OC14)[H])[C@@]23C |
|
| MCULE-4687597526 |
0.73 |
C1C[C@]2(C)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@]4(C)[C@@]([H])(C(C)=O)CC[C@]4(O)C3CC=C2C[C@H]1O |
|
| MCULE-5935925259 |
0.73 |
O1C[C@]2(C=C)C([C@H]([C@@H]([C@@H](OC(=O)C(CO)=C)C2)C(=C)C(OC)=O)O)C(C1=O)=C |
|
| MCULE-6732636598 |
0.73 |
[H]Cl.CC(CCC(=O)O[C@@H]1[C@@H]([C@]2(O[C@](C=C)(C)CC(=O)[C@]2(O)[C@]2(C)[C@@]1(C(CC[C@@H]2O)(C)C)[H])C)OC(=O)C)C |
|
| MCULE-9782090212 |
0.73 |
C=CC1(C)CC(OC(=O)C(C(CO)O)=C)C(C(=C)C(=O)O)C(O)C1C(=C)CO |
|
| MCULE-8026370890 |
0.73 |
C=CC1(C)CC(OC(=O)C(C(CO)O)=C)C(C(=C)C(=O)OC)C(O)C1C(=C)CO |
|
| MCULE-5323981543 |
0.73 |
C1C2(O)COC(=O)C2C(C(O)C(=C)C(=O)O)C(C(C)C)C1 |
|
| MCULE-7238325614 |
0.73 |
C1C[C@@]23[C@]([C@]([C@H]1O)(C)C(=O)O2)([H])[C@H](C(=O)O)[C@@]12CC(=C)[C@@]([H])(C1)CC[C@@]32[H] |
|
| MolPort-001-740-239 |
0.73 |
COC(=O)C(=C)[C@H]1[C@H](O)C2C(=C)C(=O)OC[C@]2(C[C@@H]1OC(=O)C(=C)CO)C=C |
|
| MolPort-006-668-663 |
0.73 |
CC1(CC(OC(=O)C(=C)C(O)CO)C(C(O)C1C(=C)CO)C(=C)C(O)=O)C=C |
|
| MolPort-006-668-664 |
0.73 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(=C)C(O)CO)C=C |
|
| MolPort-035-705-879 |
0.73 |
CC(=O)O[C@H]1C[C@@H]2C(C)(C)[C@H](C[C@H](OC(C)=O)[C@@]2(C)[C@@H]2[C@@H](OC(C)=O)[C@H](O)[C@@H]3C[C@]12C(=O)C3=C)OC(C)=O |
|
| MolPort-042-675-451 |
0.73 |
CC(C)C1CCC2(O)COC(=O)C2C1C(O)C(=C)C(O)=O |
|
| MolPort-035-765-923 |
0.73 |
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C2C(=O)C[C@@](C)(O[C@]12C)C=C |
|
| MolPort-046-761-512 |
0.73 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@@]3(C[C@H](O)[C@@H]1O)OC2=O)C(=C)C5 |
|
| MolPort-039-338-274 |
0.73 |
CC(C)CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2C(CC=C3C[C@@H](O)CC[C@]23C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C |
|
| MolPort-039-141-967 |
0.73 |
CC(C)CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2[C@@H](CC=C3C[C@@H](O)CC[C@]23C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C |
|
| MolPort-039-052-514 |
0.73 |
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@@H]2[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C |
|
| MCULE-9070200931 |
0.72 |
C1C=C(C)CC(O)C2C(COC)C(=O)OC2C2OC2(C)C1 |
|
| MCULE-7570417588 |
0.72 |
C12(OC1C1OC(C(O)(C)C)CC1(O)CC2=O)C/C=C(\C)/C |
|
| MCULE-2704123094 |
0.72 |
C1CC(C=O)C2C(O)C(C(=C)C(=O)OC)C(OC(=O)C(C(CO)O)=C)CC2(C)C1O |
|
| MCULE-7957245335 |
0.72 |
C1C(O)C2(C)CC(OC(=O)C(=C)C(O)CO)C(C(=C)C(=O)OC)C(O)C2C(O)(CO)C1 |
|
| MCULE-3109239959 |
0.72 |
C1(C2OC(=O)C(C)C2O)OC(CCC(=O)O)CCC1 |
|
| MCULE-1118824383 |
0.72 |
O=C(CO)O[C@@H]1C[C@](C=C)(C)[C@@H](O)[C@H](C)[C@]23CC[C@@H](C)[C@]1([C@]2([H])C(=O)CC3)C |
|
| MCULE-3928791581 |
0.72 |
C[C@H]1[C@@H]([C@](C[C@@H](OC(=O)CO)C2([C@H](C)CCC31CCC(=O)[C@]32[H])C)(C)C=C)O |
|
| MCULE-9718510983 |
0.72 |
[C@@]123C[C@@]4([H])[C@](C[C@@]1(C)CCC[C@]2(O3)C)([H])OC(=O)C4=C |
|
| MCULE-3998592213 |
0.72 |
C123CCC(O)C(C(=O)O1)(C)C2([H])C(C12CC(C(C1)(O)CCC23[H])=C)C(=O)O |
|
| MCULE-4714508692 |
0.72 |
C1C(O)C2(C)C3C(C)(C(C(C2C(C)(C1=O)C)OC(=O)C)OC(=O)C)C1C(OC(C(C1(C(=C)C3)C)=O)(C)C(OC)=O)=O |
|
| MCULE-3968933372 |
0.72 |
C1C(O)C2(C)C3C(C(C(C2C(C)(C1=O)C)O)OC(=O)C)(C1C(OC(C(C1(C(=C)C3)C)=O)(C)C(OC)=O)=O)C |
|
| MCULE-3845894301 |
0.72 |
C1[C@@H](O)[C@]23[C@]4([H])CC[C@H]5C(C([C@@]4([C@@H]5O)C(OC2)(O)[C@@H](O)[C@]3([H])[C@@](COC(=O)C)(C)C1)=O)=C |
|
| MolPort-046-697-431 |
0.72 |
CC(C)=CCC12OC1C1OC(CC1(O)CC2=O)C(C)(C)O |
|
| MolPort-019-937-178 |
0.72 |
COC(=O)C(=C)C1C(O)C2C(O)(CO)CCC(O)C2(C)CC1OC(=O)C(=C)C(O)CO |
|
| MolPort-046-793-300 |
0.72 |
C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO |
|
| MolPort-019-931-850 |
0.72 |
CC1C(O)C(OC1=O)C1CCCC(CCC(O)=O)O1 |
|
| MolPort-046-761-510 |
0.72 |
CC12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@](O)(CC[C@H]4[C@@]3(CC[C@@H]1O)OC2=O)C(=C)C5O |
|
| MolPort-035-705-881 |
0.72 |
CC(=O)O[C@H]1C[C@@H]2[C@]3([C@H](O)[C@@H]1C(=C)C3=O)[C@H](O)C[C@@H]1C(C)(C)CC[C@H](O)[C@@]21C |
|
| MolPort-039-052-431 |
0.72 |
CC(=O)OC[C@]1(C)CC[C@@H](O)[C@]23CO[C@@](O)([C@@H](O)[C@H]12)[C@@]12[C@H](O)[C@@H](CC[C@@H]31)C(=C)C2=O |
|
| MolPort-039-338-772 |
0.72 |
CC(=O)O[C@@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]14CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]4O)C(=O)C2=C |
|
| MolPort-046-153-172 |
0.72 |
COCC1C2C(OC1=O)C1OC1(C)CC\C=C(C)\CC2O |
|
| MolPort-006-668-279 |
0.72 |
COC(=O)C1(C)OC(=O)C2C3(C)C(OC(C)=O)C(OC(C)=O)C4C(C)(C)C(=O)CC(O)C4(C)C3CC(=C)C2(C)C1=O |
|
| MolPort-005-944-039 |
0.72 |
COC(=O)C1(C)OC(=O)[C@@H]2[C@]3(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C4C(C)(C)C(=O)CC[C@]4(C)C3CC(=C)[C@@]2(C)C1=O |
|
| MolPort-006-668-369 |
0.72 |
COC(=O)C(=C)C1C(O)C2C(CCC(O)C2(C)CC1OC(=O)C(=C)C(O)CO)C=O |
|
| MolPort-009-194-208 |
0.72 |
CC1CC[C@@]23CCC(=O)[C@H]2[C@@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO |
|
| MolPort-006-395-732 |
0.72 |
C[C@@H]1CCC23CCC(=O)[C@H]2C1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO |
|
| MolPort-001-741-705 |
0.72 |
CC(CO)C(=O)O[C@H]1CC(C)(C=C)C([C@H]2OC(=O)C(=C)[C@H]12)C(=C)CO |
|
| MolPort-002-513-613 |
0.72 |
C[C@@]12CCC[C@]3(C)C[C@H]4OC(=O)C(=C)[C@H]4C[C@@]13O2 |
|
| MolPort-005-944-397 |
0.72 |
COC(=O)C1(C)OC(=O)C2C3(C)C(OC(C)=O)C(O)C4C(C)(C)C(=O)CC(O)C4(C)C3CC(=C)C2(C)C1=O |
|
| MCULE-7857517846 |
0.71 |
O=C1O[C@]2([H])[C@H](C(C)(O)C)[C@]1([C@]1([C@]3([C@]2([H])OC(=O)[C@@]23O[C@]2([H])C1)C)O)[H] |
|
| MCULE-5806529662 |
0.71 |
O1[C@@H]2C[C@@]3([C@H]4C(=O)O[C@H]([C@H]4C(C)(C)O)[C@@H]4[C@]3(C)[C@]12C(=O)O4)O |
|
| MCULE-2779552409 |
0.71 |
C1(C2(C)C(CC(OC(C)=O)C3(C4C(=O)OC(C)C(=O)C4(C)C(=C)CC23)C)C(OC(C1)=O)(C)C)O |
|
| MCULE-5890565313 |
0.71 |
C123C(=O)OC4C5OC(=O)C(C5C(C)(C)O)C(CC1(O2)[H])(O)C34C |
|
| MCULE-3811447344 |
0.71 |
O=C1O[C@]2([H])[C@@H](C(C)(O)C)[C@]1([C@]1([C@]3([C@]2([H])OC(=O)[C@@]23O[C@]2([H])C1)C)O)[H] |
|
| MCULE-3919243085 |
0.71 |
C1CC(=O)C2C(O)C(C(=C)C(=O)OC)C(OC(=O)C(C(CO)O)=C)CC2(C)C1O |
|
| MCULE-7490014751 |
0.71 |
CC1([C@@H]2[C@@H]([C@@H]([C@@]3([C@@](O)([C@@]2(C)[C@@H](O)CC1)C(=O)C[C@@](C=C)(C)O3)C)O)OC(=O)C)C |
|
| MCULE-5051144608 |
0.71 |
C1(=C)[C@@]2([H])[C@]([H])(C(=C)C[C@@H]([C@@H]3[C@@H]2OC(=O)C3=C)OC(=O)C(CO)=C)C[C@@H]1O |
|
| MCULE-9728345441 |
0.71 |
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-4110382383 |
0.71 |
C12(C(C)CCC(O)C1O)C(=O)OC(=C)C2O |
|
| MCULE-5499763478 |
0.71 |
[C@@]12(C(C)(O)[C@@H]3OC(=O)C(=C)[C@@H]3CC[C@@H]1C)CCC(=O)O2 |
|
| MCULE-6118010482 |
0.71 |
[C@]12(C)C(O1)C[C@@]1([H])C(=C)CC[C@@H]3[C@H](OC(C3=C)=O)[C@@]21[H] |
|
| MolPort-001-741-258 |
0.71 |
OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |
|
| MolPort-002-509-243 |
0.71 |
C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CCC1=C |
|
| MolPort-006-668-187 |
0.71 |
CC1OC(=O)C2C3(C)C(CC4C(C)(C3CC(=C)C2(C)C1=O)C(O)CC(=O)OC4(C)C)OC(C)=O |
|
| MolPort-003-665-993 |
0.71 |
CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C |
|
| MolPort-039-338-774 |
0.71 |
CC(=O)OC[C@H]1C(C)(C)CC[C@@H](OC(C)=O)[C@@]11COC(=O)[C@]23CC(C[C@@H](OC(C)=O)[C@H]12)C(=C)C3=O |
|
| MolPort-006-668-409 |
0.71 |
COC(=O)C(=C)C1C(O)C2C(=O)CCC(O)C2(C)CC1OC(=O)C(=C)C(O)CO |
|
| MolPort-006-668-666 |
0.71 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(C)C)C=C |
|
| MolPort-003-940-355 |
0.71 |
CC(=O)O[C@@H]1[C@H](O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C |
|
| MolPort-001-741-128 |
0.71 |
C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)[C@@]11CCC(=O)O1 |
|
| MolPort-039-052-438 |
0.71 |
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-046-697-222 |
0.71 |
CC1CCC(O)C(O)C11C(O)C(=C)OC1=O |
|
| MolPort-039-338-691 |
0.71 |
CC(=O)O[C@H]1CCC(C)(C)[C@@H](C=O)[C@@]11COC(=O)[C@@]23C[C@@H](C[C@H](O)[C@@H]12)C(=C)C3=O |
|
| MolPort-039-052-411 |
0.71 |
C[C@@]12CC[C@H]3O[C@]3(C)C[C@@H]3OC(=O)C(=C)[C@H]3C[C@@H]1O2 |
|
| MCULE-3903147146 |
0.70 |
C1CC2(C3C(C(CC2C(C)(C1=O)C)OC(=O)C)(C1C(OC(C(C1(C(=C)C3)C)=O)(C)C(OC)=O)=O)C)C |
|
| MCULE-1674715929 |
0.70 |
C1(C(O)=O)C2CCC3(O2)COC(=O)CC13 |
|
| MCULE-8471961702 |
0.70 |
C1C(C(=C)C)C2(CC(O)C3(OC3C2OC(=O)C(N)CCC(=O)O)C)C(C)C1 |
|
| MCULE-3168594210 |
0.70 |
O[C@H]1C[C@@](C)(C=C)[C@H](C(=C)CO)[C@H]2OC(=O)C(=C)[C@@H]21 |
|
| MCULE-4824022658 |
0.70 |
C1C(O)[C@]2([H])C(=C)C(=O)O[C@]2([H])C(C(C)=C)C1(C=C)C |
|
| MCULE-5455459863 |
0.70 |
[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@H](O)[C@H](C)[C@@]4(O)[C@]3(C)[C@H](OC(=O)[C@@H]4O)CC2=C(C)C1 |
|
| MCULE-9714224858 |
0.70 |
C1C[C@]2(C)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(=O)C)[C@]4(C)[C@]([H])(C(C)=O)CC[C@]54O[C@@]35CC[C@@]2([H])C[C@H]1O |
|
| MolPort-001-740-741 |
0.70 |
C[C@]1(C[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@H]1C(=C)CO)C=C |
|
| MolPort-039-338-775 |
0.70 |
CC(=O)O[C@@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]14CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]4OC(C)=O)C(=O)C2=C |
|
| MolPort-005-944-399 |
0.70 |
COC(=O)C1(C)OC(=O)C2C3(C)C(CC4C(C)(C)C(=O)CCC4(C)C3CC(=C)C2(C)C1=O)OC(C)=O |
|
| MolPort-039-052-686 |
0.70 |
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@]2(C)[C@@H](CC[C@@]22O[C@]22CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@@H]12)C(C)=O |
|
| MolPort-002-799-418 |
0.70 |
OC(=O)C1C2CCC3(COC(=O)CC13)O2 |
|
| MolPort-019-937-060 |
0.70 |
C[C@H]1[C@@H](O)[C@H](O)C2[C@@]3(C)[C@H](O)[C@@H](O)CC(C)=C3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23C |
|
| MolPort-039-338-693 |
0.70 |
CC(=O)O[C@H]1CCC(C)(C)[C@H]2[C@H](O)[C@]3(O)OC[C@@]12[C@@H]1CC[C@@H]2[C@@H](O)[C@]31C(=O)C2=C |
|
| MolPort-039-338-576 |
0.70 |
CC(=C)C1[C@H]2OC(=O)C(=C)[C@H]2C(O)CC1(C)C=C |
|
| MCULE-1187896247 |
0.69 |
[C@H]12[C@@H]3[C@@H](CCC(=CCC[C@]1(O2)C)C)C(C(=O)O3)=C |
|
| MCULE-4774272300 |
0.69 |
[C@@H]12[C@@H]3[C@@H](CCC(=CCC[C@]1(O2)C)C)C(C(=O)O3)=C |
|
| MCULE-7405855960 |
0.69 |
O=C1C(=C)[C@@]2(CCC(=CCC[C@]3(O[C@]3([H])[C@@]2([H])O1)C)C)[H] |
|
| MCULE-6512230417 |
0.69 |
[C@]12([H])O[C@]1(C)CCC=C(C)CC[C@@]1([H])C(C(=O)O[C@]21[H])=C |
|
| MCULE-5648274394 |
0.69 |
CC1CCC2C(C(OC2C2OC2(C)CCC=1)=O)=C |
|
| MCULE-3930398727 |
0.69 |
C1C=C(C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2O[C@@]2(C1)C |
|
| MCULE-5799986466 |
0.69 |
C1C(C)OC(CC(O)C2OC2C2OC21)=O |
|
| MCULE-7751199326 |
0.69 |
C1CC(C=O)C2C3OC(=O)C(=C)C3C(O)CC2(C)C1O |
|
| MCULE-6061453971 |
0.69 |
C1C[C@]2([C@]3([H])[C@@H](OC(=O)C)C[C@@]4(O)C(C([C@@]3(C4)[C@H](O)C[C@]2([H])[C@@](COC(=O)C)(C)C1)=O)=C)C |
|
| MCULE-6080310100 |
0.69 |
C1(OCC2(CC[C@]3([C@@]([C@H]([C@@H]([C@@]4([C@]3([H])CCC[C@]34OC3)C)OC(C)=O)OC(=O)C(C)C)(C)O2)C)C1)=O |
|
| MCULE-3650069558 |
0.69 |
O([C@]1([C@]2([C@@](CC[C@H]1OC(=O)C1(OC1C)C)(C)CC(=O)/C(=C(\C)/C)/C2)[H])C)C(C)=O |
|
| MCULE-6024893415 |
0.69 |
C12(OC(C34C(OC(C3(C1=O)C1(C)C(OC(=O)/C(=C/C)/C)CC3(C(=C)C1(O4)C2OC(=O)C)CCC(=O)OC3(C)C)=O)C)=O)C |
|
| MCULE-2313890542 |
0.69 |
[C@@H]1(O)[C@@H](O)[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4(O)[C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C |
|
| MCULE-4724847409 |
0.69 |
[C@@]12(C)[C@H](O)C[C@H](OC(C)=O)[C@@]1([H])[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2OC(C)=O |
|
| MCULE-2167149407 |
0.69 |
[C@@]12([H])[C@@H](OC(=O)C)C[C@H](O)[C@@]1(C)[C@@H](OC(C)=O)[C@@H]1C(=C)C(=O)O[C@H]1C[C@H]2C |
|
| MCULE-1339344349 |
0.69 |
C1(C)(C(O)CC(=O)OC)C2CC(=C)C3(C)C(=O)C(C)OC(=O)C3C2(C)C(OC(=O)C)CC1C(O)(C)C |
|
| MCULE-4840887999 |
0.69 |
C1(=O)C([C@@]2([C@@](C)(CC1)[C@@]1(CC[C@@H]3[C@@H](OC(=O)C)[C@]1(C(=O)C3=C)[C@H](O)C2)[H])[H])(C)C |
|
| MCULE-4603475177 |
0.69 |
C1C=C(C)CC(OC(=O)/C(/C)=C\C)C2C(=C)C(=O)OC2C2OC2(CO)C1 |
|
| MCULE-4966801610 |
0.69 |
C1C[C@]2(C)CC(/C(/CC2[C@@]([C@@H]1OC(C1(OC1C)C)=O)(O)C)=C(\C)/C)=O |
|
| MCULE-4212655398 |
0.69 |
C1=CC2C(OC(C)=O)C3OC(=O)C4([H])C1C2C34 |
|
| MCULE-5895686237 |
0.69 |
C12(CCC(C(OC1=O)(C)C2(C)C)O)C(O)=O |
|
| MolPort-042-675-236 |
0.69 |
CC1CC2OC2C2OC2C(O)CC(=O)O1 |
|
| MolPort-039-052-609 |
0.69 |
CC(=O)O[C@@H]1CC2C[C@]3([C@@H]1[C@]14CCCC(C)(C)[C@H]1[C@H](O)[C@]3(O)OC4)C(=O)C2=C |
|
| MolPort-039-338-381 |
0.69 |
CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@H]2OC(C)=O)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12 |
|
| MolPort-046-761-037 |
0.69 |
C[C@H]1CC[C@H](O)[C@@H]2[C@@H](O)[C@@]3(C[C@]12C)C(=C)COC3=O |
|
| MolPort-035-705-878 |
0.69 |
CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]13C[C@@](O)(C[C@H](OC(C)=O)[C@@H]21)C(=C)C3=O |
|
| MolPort-039-338-770 |
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CC(=O)O[C@H]1CCC(C)(C)[C@@H](CO)[C@@]11COC(=O)[C@@]23C[C@@H](C[C@H](O)[C@@H]12)C(=C)C3=O |
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C[C@]12[C@H]3O[C@H]3C[C@@]3(OC1=O)[C@@H]1CC[C@]4(O)C[C@]1(CC4=C)[C@H]([C@H]23)C(O)=O |
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| MolPort-039-338-812 |
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CC(=O)OC[C@@H]1C(C)(C)CC[C@H](OC(C)=O)[C@]11COC(=O)[C@@]23C[C@H](C[C@H](O)[C@@H]12)C(=C)C3=O |
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| MolPort-046-033-497 |
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C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |
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CC(=O)O[C@H]1CCC(C)(C)[C@H]2[C@H](O)[C@]3(O)OC[C@@]12[C@@H]1CC[C@@H]2C[C@]31C(=O)C2=C |
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C\C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |
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COC(=O)C(=C)[C@@H]1[C@@H](O)C[C@@]2(COC(=O)C(=C)[C@@H]2[C@H]1O)C=C |
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| MolPort-039-101-235 |
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C\C=C(\C)C(=O)OC1C\C(C)=C\CCC2(CO)OC2C2OC(=O)C(=C)C12 |
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CC(=O)OC1C2CCC3C1(C(O)CC1C(C)(C)C(=O)CCC31C)C(=O)C2=C |
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| MolPort-039-338-339 |
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C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)[C@@H]12 |
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CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1([C@H](O)C[C@@H]1C(C)(C)C(=O)CC[C@@]31C)C(=O)C2=C |
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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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CC1OC1(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(CC2[C@]1(C)O)=C(C)C |
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C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@H](O)C[C@H](OC(C)=O)[C@@H]12 |
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| MolPort-001-742-283 |
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CC1OC1(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C[C@H]2[C@]1(C)OC(C)=O)=C(C)C |
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| MolPort-009-684-169 |
0.69 |
C\C1=C\CCC2(C)OC2C2OC(=O)C(=C)C2CC1 |
|
| MolPort-001-741-249 |
0.69 |
O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](O)CC2=C)C1=C |
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| MolPort-006-668-672 |
0.69 |
CC12CC(O)C3C(OC(=O)C3=C)C1C(CCC2O)C=O |
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| MolPort-005-945-638 |
0.69 |
CC(C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(C)[C@H](CCC[C@]22CO2)[C@@]2(C)CCC3(COC(=O)C3)O[C@@]12C |
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CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |
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0.69 |
CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |
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0.69 |
C\C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |
|
| MolPort-001-740-222 |
0.69 |
C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1 |
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0.69 |
C\C=C(/C)C(=O)OC1CC2(CCC(=O)OC2(C)C)C(=C)C23OC45C(C)OC(=O)C4(C(=O)C(C)(OC5=O)C2OC(C)=O)C13C |
|
| MCULE-7462445595 |
0.68 |
C1(=O)[C@@H](O)[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4(O)[C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C |
|
| MCULE-1981205050 |
0.68 |
CC1C2CC3OC(=O)C(O)C4(O)C53COC4(C)C(O)C(O)C5C2(C)C(O)C(=O)C=1 |
|
| MCULE-8323856650 |
0.68 |
[C@@H]12[C@@H]3C(CCC4(O[C@@H]4CC[C@]1(O2)C)C)C(C(=O)O3)C |
|
| MCULE-6149049272 |
0.68 |
CC1(CC[C@@]23CC[C@]4([C@]5([C@H]([C@H]6[C@@H]([C@]4(OC2=O)[C@@H]3C1)O6)[C@]1(CCC(C(C)(C)[C@@H]1CC5)=O)C)C)C)C |
|
| MCULE-3986602871 |
0.68 |
C12C3CC4C(OC(=O)C14)C3OC2=O |
|
| MCULE-7490992029 |
0.68 |
C12(C)C(=O)OCC1C1(CCC2O1)COC(=O)C(C)(C)C |
|
| MCULE-4216057923 |
0.68 |
C1(C)(C(OC)=O)C2CCC3(O2)COC(=O)C13 |
|
| MCULE-9881348957 |
0.68 |
OC([C@H]1[C@@H]2[C@]3(O[C@@H]1CC3)COC2=O)=O |
|
| MCULE-4558102565 |
0.68 |
O(C1C(=C)CC(=O)C2OC2(C)CC2OC(=O)C(=C)C2C1O)C(/C(/C)=C\C)=O |
|
| MCULE-8223475648 |
0.68 |
C1(=O)C[C@@]2(C(=C)C(=O)O[C@]2([H])C[C@@]1(O)C)[H] |
|
| MCULE-9466721629 |
0.68 |
C[C@]12CC[C@@]3([H])C(=C)C(=O)O[C@]3([H])[C@@]3([H])[C@@](O)(C)CC[C@]13O2 |
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| MolPort-039-338-813 |
0.68 |
CC(=O)O[C@H]1CCC(C)(C)[C@@H](CO)[C@@]11COC(=O)[C@@]23C[C@H](CC[C@@H]12)C(=C)C3=O |
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| MolPort-002-730-171 |
0.68 |
O=C1OC2C3CC4C2OC(=O)C4C13 |
|
| MolPort-029-942-982 |
0.68 |
C\C=C(\C)C(=O)OC1C(O)C2C(CC3(C)OC3C(=O)CC1=C)OC(=O)C2=C |
|
| MolPort-044-754-056 |
0.68 |
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O |
|
| MolPort-002-806-682 |
0.68 |
COC(=O)C1(C)C2CCC3(COC(=O)C13)O2 |
|
| MolPort-039-052-362 |
0.68 |
CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3C1 |
|
| MolPort-046-764-540 |
0.68 |
O[C@@H]1C[C@]2(O)C[C@@H](OC2=O)[C@@H]1O |
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| MolPort-042-683-850 |
0.68 |
OC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 |
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| MolPort-023-334-680 |
0.68 |
CC1=CC(=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@]13C2[C@@H](O)[C@@H]4O |
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| MolPort-046-418-659 |
0.68 |
C[C@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]3[C@@]1(CC[C@@]3(C)O)O2 |
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0.68 |
CC1=CCC2C(C)(CCCC2(C)C(O)=O)C1CC12OC1C(O)C(=C)C(O)C2O |
|
| MolPort-002-806-685 |
0.68 |
CC(C)(C)C(=O)OCC12CCC(O1)C1(C)C2COC1=O |
|
| MolPort-030-004-859 |
0.68 |
O=C1OC2CC3CC1C2O3 |
|
| MolPort-039-338-420 |
0.68 |
C[C@]1(O)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O |
|
| MCULE-5275306349 |
0.67 |
C12CC(C(C(=O)OCC3CCCO3)C1C(O)=O)C=C2 |
|
| MCULE-9514417628 |
0.67 |
C1CC2(C(CC=C(C2CC23OC2C(O)C(=C)C(O)C3O)C)C(C(O)=O)(C)C1)C |
|
| MCULE-4542355405 |
0.67 |
C1OC(OC2C(C3C(C4CCC5C6C(O)(C)C(C(C(C)C(C)=C)OC76CC5(C4(C)CC3)CO7)OC(=O)C)(CC2)C)(C)C)C(OC2C(O)C(O)C(CO)O2)C(C1O)OC1C(O)C(OC2C(O)C(O)C(O)CO2)C(O)C(CO)O1 |
|
| MCULE-2865063085 |
0.67 |
[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-1678442526 |
0.67 |
C1CC2(C)C3CC(C(O)(C=C)C)OC3(C)C(O)C(OC(C)=O)C2C(C)(C)C1 |
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| MCULE-6204160184 |
0.67 |
[C@]12(C)C[C@H](C(C(=O)O)=C)[C@H]3O[C@@]1([C@@H](C)C3)CC[C@@H]2O |
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| MCULE-9688459180 |
0.67 |
CCCCCCCCC=CCCCCCCCC(O[C@](CO)([C@]1(OC[C@](OC(CCCCCCCC=CCCCCCCCC)=O)([C@]1(OC(CCCCCCCC=CCCCCCCCC)=O)[H])[H])[H])[H])=O |
|
| MCULE-6035868105 |
0.67 |
[C@H]1(C(C(O)(C)[C@@H]2OC(C([C@@H]2CC1)=C)=O)CCC(O)=O)C |
|
| MCULE-4347835968 |
0.67 |
[C@@]12([H])CC[C@H](O)[C@@]1(C)[C@@H](O)[C@@H]1C(=C)C(=O)O[C@H]1C[C@H]2C |
|
| MCULE-1501922749 |
0.67 |
[C@@]12(C)[C@H](O)C[C@H](O)[C@@]1([H])C(C)C[C@@H]1OC(=O)C(=C)[C@H]1C2O |
|
| MCULE-1935435552 |
0.67 |
O=C1C2(C3CC(C4(C(CCC4C4C5OC(=O)C(O)(C)C(C)(C5)C4)C3C3OC3C2(CC=C1)O)C)=O)C |
|
| MCULE-5670082152 |
0.67 |
[C@@]12(C)[C@H](O)CC(=O)OC3C1[C@](C)([C@]1(C)CC[C@@]4(C(O[C@@H]5O[C@H](CO[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H](CO)O6)[C@@H](O)[C@H](O)[C@H]5O)=O)CC[C@@H](C(C)=C)C4[C@@]1([H])C3)CC[C@H]2C(C)=C |
|
| MCULE-4077568356 |
0.67 |
[C@]12(O)C(CCC[C@]1(C)C[C@@H]1[C@H](C2)C(=C)C(O1)=O)=C |
|
| MCULE-3773780560 |
0.67 |
C1CC2(C)CC3OC(=O)C(=C)C3CC2(O)C(=C)C1 |
|
| MCULE-2092078447 |
0.67 |
C1(C(OC(C1(C(O)=O)O)C(O)=O)=O)CCCCCCCCC=C |
|
| MCULE-6632797081 |
0.67 |
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-8519774446 |
0.67 |
C1(=O)OC2(CC1C(C(=O)OCC1CCCO1)C(C2)C)C |
|
| MCULE-4426803651 |
0.67 |
C12(C)C(O)CC(C(=C)C1CC1C(OC(C1=C)=O)C2)O |
|
| MCULE-8011378409 |
0.67 |
C1C[C@]2([C@]3([H])[C@@H](OC(=O)C)C[C@@]4(O)C(C([C@@]3(C4)CC[C@]2([H])[C@@](CO)(C)C1)=O)=C)C |
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| MCULE-8661441910 |
0.67 |
C1(=O)OC2(CC1C(C(OCCOCCCC)=O)C(C2)C)C |
|
| MolPort-001-538-068 |
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OC(=O)C1C2CC(C=C2)C1C(=O)OCC1CCCO1 |
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CC(C1OC23CC4(CO2)C(CCC2C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(OC8OCC(O)C(O)C8O)C7O)C6OC6OC(CO)C(O)C6O)C(C)(C)C5CCC42C)C3C(C)(O)C1OC(C)=O)C(C)=C |
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CC1C[C@@H]2OC(=O)C(=C)[C@H]2C(O)[C@]2(C)[C@H](O)C[C@H](O)[C@@H]12 |
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CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)[C@H]1OC[C@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H]1OC(=O)CCCCCCC\C=C/CCCCCCCC |
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C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)C1CCC(O)=O |
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CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3 |
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CC12CC3OC(=O)C(=C)C3CC1C(=C)C(O)CC2O |
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CC(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C(=O)[C@H](C)\C=C\C(C)(C)C1=O)OC(C)=O |
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CCC(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(=C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(C)=O)[C@@](C)(C[C@]2(OC(C)=O)C(=O)[C@H](C)\C=C\C(C)(C)C1=O)OC(C)=O |
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CCCCOCCOC(=O)C1C2CC(C)(CC1C)OC2=O |
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| MolPort-002-511-770 |
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OCC(O)C(O)C(O)[C@H]1OC(=O)[C@H](O)[C@@H]1O |
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| MolPort-001-739-325 |
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OC(=O)C1OC(=O)C(CCCCCCCCC=C)C1(O)C(O)=O |
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CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3 |
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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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COC(=O)[C@@H]1[C@@H](O)C2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@@H](CC[C@@]22CC(O)C(=O)O2)C13 |
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CC1CC2(C)CC(C1C(=O)OCC1CCCO1)C(=O)O2 |
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CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@H]2O)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12 |
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CC(=O)OC1C(O)C2(C)OC(CC2C2(C)CCCC(C)(C)C12)C(C)(O)C=C |
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C[C@H]1C[C@@H]2O[C@]11CC[C@H](O)[C@@]1(C)C[C@@H]2C(=C)C(O)=O |
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C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@]2(C)[C@@H](O)CC[C@@H]12 |
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CC1(C)CCC[C@]2(COC(=O)[C@@]34C[C@@H](C[C@@H](O)[C@@H]23)C(=C)C4=O)[C@@H]1C=O |
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CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H]1OC(=O)CCCCCCC\C=C/CCCCCCCC |
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C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CC[C@H](C4[C@H]4CC6OC(=O)C[C@@H](O)[C@@]7(C)[C@@H](CC[C@](C)(C67)[C@]4(C)CC5)C(C)=C)C(C)=C)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
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CC12CC(OC(=O)C1(C)O)C(C2)C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CC(=O)C12C |
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CC12CCCC(=C)C1(O)CC1C(C2)OC(=O)C1=C |
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C[C@]12CCCC(=C)[C@]1(O)C[C@H]1[C@@H](C2)OC(=O)C1=C |
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CC(=O)O[C@H]1C[C@]2(O)C[C@@]3(CC[C@@H]4[C@](C)(CO)CCC[C@@]4(C)[C@H]13)C(=O)C2=C |
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CC(C)CCCC(O)C1CC(CO)OC1=O |
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CC(=O)OCC12CCC(O1)C1C(=O)OC(=O)C21C |
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| MCULE-8370755517 |
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[C@H]1(OC(C(C)CC)=O)[C@@H]2OC(C(=C)[C@@H]2CC(=O)[C@H](C)[C@@]1(O)C(=O)/C=C/C)=O |
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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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C12(C)OC(=O)C3(C(OC(C3(C1=C)C1(C(C2)C2(C)C=CC(=O)C(C)(C)C2CC1)C)=O)C)O |
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C1(C2C(=O)CCC2C2C1(OC)C(O)C(C)OC2=O)O |
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| MCULE-3099268900 |
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C(=O)(OC1CCC(CC1)C(C)(C)C)C1CC=CCC1C(=O)OCC1CCCO1 |
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| MCULE-5750073439 |
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| MCULE-1899400964 |
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C(CCC(O)C1CC(CO)OC1=O)(C)C |
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| MCULE-6532932932 |
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C(CCC(O)C1CC(CO)OC1=O)C(C)C |
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| MCULE-9498905440 |
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C(C)(CCC(O)C1CC(CO)OC1=O)CC |
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| MCULE-1740263144 |
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O=C(CCN(C)C)O[C@@H]1[C@@H]([C@]2(O[C@](C=C)(C)CC(=O)[C@]2(O)[C@]2(C)[C@@]1(C(CC[C@@H]2O)(C)C)[H])C)OC(=O)C.[H]Cl |
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| MCULE-6909627093 |
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Cl.[C@@]12(C)[C@@H](OC(C)=O)[C@@H](OC(CCN(C)C)=O)[C@]3([H])[C@@](C)(C1(O)C(=O)C[C@@](C=C)(C)O2)[C@@H](O)CCC3(C)C |
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| MCULE-1871322968 |
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[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H]1OC(=O)[C@@](C)(OC(C)=O)[C@H]21)[H] |
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| MCULE-4251451769 |
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C1C(OC(C)=O)C2(C)C(C=O)=C(C)CCC2OC1C(O)(C)C |
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O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@@H]1O |
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[C@]123[C@H](O)[C@H](C(=C)C1=O)CC[C@@]2([H])[C@]12[C@@H](O)CCC(C)(C)[C@]1([C@H](O)[C@@]3(O)OC2)[H] |
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[C@@H]1(O[C@@H]2O[C@H](CO)[C@H]([C@H](O)[C@H]2O)O)[C@@H](O)[C@H](O)[C@H](O[C@@H]1OC1CC2[C@]3(C)CCC[C@](C)(C3CC[C@@]32CC(=C)[C@@H]1C3)C(=O)O[C@H]1O[C@@H](CO)[C@@H]([C@@H](O)[C@@H]1O)O)CO |
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| MCULE-9373297718 |
0.65 |
[C@@]12(C)C(=O)OC[C@@H]1C1(CCC2O1)CO |
|
| MCULE-5065272092 |
0.65 |
C12(C)COC(CC1([H])CCC2=C)=O |
|
| MCULE-1442347162 |
0.65 |
[C@]12(C)COC(C[C@]1([H])CCC2=C)=O |
|
| MCULE-5229443843 |
0.65 |
CC1OCC2(OC(=O)CC2)CC1 |
|
| MCULE-6052588676 |
0.65 |
C1C[C@@H]2O[C@@]3([H])OC[C@@]1(C)[C@@]3([C@]12COC(=O)[C@]23[C@H](O)C(=C)[C@H](CC[C@]21[H])C3)[H] |
|
| MCULE-7458976787 |
0.65 |
C12(C(C)OC(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)OC(C)=O |
|
| MCULE-3177433674 |
0.65 |
C1C2(C)C(=C)C3(C4(C5OC(C)(C6=CC(=O)OC(C)(C)C76OC57)C41)C)C(O)(C2=O)C(C)OC3=O |
|
| MolPort-005-944-877 |
0.64 |
C\C=C(\C)C(=O)OC1C2OC2C2(CO2)C2C3OC(=O)C(C)C3CCC12C |
|
| MolPort-006-167-612 |
0.64 |
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-003-986-216 |
0.64 |
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-046-158-429 |
0.64 |
CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](CC[C@H]3[C@]22CO[C@@H](O)[C@H]12)C(=C)C4=O |
|
| MolPort-000-773-088 |
0.64 |
CC(C)[C@@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)C1CCC2C3CC(=O)OC4C[C@H](OC(C)=O)[C@@H](C[C@]4(C)C3CC[C@]12C)OC(C)=O |
|
| MolPort-006-393-950 |
0.64 |
[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-002-512-883 |
0.64 |
CC(C)COCC1CC2(CC(C)C(=O)C=C2O)C(=O)O1 |
|
| MolPort-002-506-919 |
0.64 |
C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]11CCC2(COC(=O)C2)O1 |
|
| MolPort-002-513-483 |
0.64 |
C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1=C |
|
| MolPort-039-338-773 |
0.64 |
CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](CC[C@@H]3[C@]22CO[C@@H](O)[C@H]12)C(=C)C4=O |
|
| MolPort-039-338-689 |
0.64 |
CC1(C)[C@H]2[C@H](O)OC[C@@]22[C@H](C[C@@H]1O)OC(=O)[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3=O |
|
| MolPort-001-742-428 |
0.64 |
C[C@@]12C[C@H]3OC(=O)C(=C)[C@H]3CC1C(=C)CC[C@H]2O |
|
| MolPort-039-052-513 |
0.64 |
CC(=O)O[C@@H]1C(=C)[C@@H]2C[C@@]11[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H]1[C@H](C2)OC(C)=O |
|
| MolPort-003-932-235 |
0.64 |
O=C(OCC1CO1)C1CCCCC1C(=O)OCC1CO1 |
|
| MolPort-039-052-576 |
0.64 |
C[C@@]12CCC[C@](C)([C@H]1[C@H](O)C[C@@]13C[C@@H](C[C@H](O)[C@@H]21)C(=C)C3=O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
|
| MolPort-019-937-337 |
0.64 |
C[C@H]1[C@@H](O)[C@H](O)C2[C@@]3(C)[C@H](O)C(=O)C=C(C)C3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23C |
|
| MolPort-046-426-267 |
0.64 |
CO[C@H]1C[C@H]2C=C[C@H]3[C@H]4O[C@@]2([C@@H]3[C@H](O)[C@@H](C)[C@H]4O)\C(C)=C/[C@@H](C)[C@H](OC1=O)[C@@H](C)O |
|
| MolPort-046-690-030 |
0.64 |
COC(=O)C1C(O)C2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13 |
|
| MolPort-039-052-592 |
0.64 |
CC1(C)CC[C@H](O)[C@]23CO[C@@](O)([C@@H](O)[C@H]12)[C@@]12CC(CC[C@@H]31)C(=C)C2=O |
|
| MolPort-039-338-814 |
0.64 |
CC1(C)CC[C@H](O)[C@]23CO[C@@](O)([C@@H](O)[C@H]12)[C@@]12C[C@@H](C[C@@H](O)[C@@H]31)C(=C)C2=O |
|
| MolPort-046-594-427 |
0.64 |
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@@]3(O)C(=C)[C@H]4O |
|
| MolPort-019-937-064 |
0.64 |
CC1=CC(=O)[C@@H](O)[C@]2(C)C3[C@]4(O)OC[C@@]33[C@@H](CC12)OC(=O)[C@H](O)[C@@]3(O)C(=C)[C@H]4O |
|
| MolPort-039-339-010 |
0.64 |
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@@]3(O)C(=C)[C@H]4O |
|
| MolPort-046-689-525 |
0.64 |
CC(C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O)CC(=O)OCCCCCCCCC(O)=O |
|
| MolPort-039-052-554 |
0.64 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@@]21O)C(=C)C3=O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
|
| MolPort-019-936-864 |
0.64 |
CC12CC11C(=O)OCC1(O)C(O)C1CC(C)(C)CC21 |
|
| MolPort-027-835-140 |
0.64 |
CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)[C@H]1OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCCCCCC |
|
| MolPort-019-937-239 |
0.64 |
C[C@@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@H]1C(=C)CC[C@H]2O |
|
| MolPort-046-158-472 |
0.64 |
C\C=C(\C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)C[C@]3([C@H](OC(C)=O)[C@@H]12)C(=C)COC3=O |
|
| MolPort-021-804-707 |
0.64 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(\CO)=C/COC(C)=O)C=C |
|
| MolPort-038-386-661 |
0.64 |
CC(=O)OC1CC(OC2CCC(C)(O)C(C(O)=O)C12C)C(C)(C)O |
|
| MolPort-019-937-067 |
0.64 |
CC1[C@@H](O)[C@@H](O)C2[C@@]3(C)[C@H](O)[C@@H](O)CC(C)(O)C3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23C |
|
| MolPort-039-052-428 |
0.64 |
C[C@H]1[C@H]2C[C@@H]3O[C@]3(C)[C@@H](O)C[C@H]3O[C@]3(C)C[C@@H]2OC1=O |
|
| MolPort-035-394-839 |
0.64 |
COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13 |
|
| MolPort-039-141-212 |
0.64 |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CC[C@H]([C@@H]4[C@H]4CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)C(C)=C)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
|
| MolPort-046-153-777 |
0.64 |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CC[C@H]([C@@H]4[C@H]4CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)C(C)=C)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
|
| MolPort-042-683-898 |
0.64 |
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-039-052-295 |
0.64 |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CC[C@H]([C@@H]4[C@H]4CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)C(C)=C)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
|
| MolPort-028-600-137 |
0.64 |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CC[C@H]([C@H]4[C@H]4CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)C(C)=C)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O |
|
| MolPort-042-624-089 |
0.64 |
CC1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]11CCC2(COC(=O)C2)O1 |
|
| MolPort-044-180-167 |
0.64 |
C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@]11CCC2(COC(=O)C2)O1 |
|
| MolPort-046-158-421 |
0.64 |
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@@H]21)C(=C)C3=O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
|
| MolPort-019-931-858 |
0.64 |
CC1OC(=O)C23C(=C)C(C)(CC4C5(C)OC(C6OC66C5=CC(=O)OC6(C)C)C24C)C(=O)C13O |
|
| MCULE-8535743264 |
0.64 |
[C@]12(C)C[C@@H](OC(C)=O)[C@H](CC1OC(CC1C3[C@@](C)(C(CC3)[C@H](C)[C@@H](OC(C)=O)[C@@H]([C@H](C)C(C)C)OC(C)=O)CCC12)=O)OC(C)=O |
|
| MCULE-7562706031 |
0.64 |
O=C(C1CCCCC1C(OCC1OC1)=O)OCC1OC1 |
|
| MCULE-2033935466 |
0.64 |
O1C2C3C(C(C(C12)C(O)=O)C(O)=O)O3 |
|
| MCULE-2706829691 |
0.64 |
CCCCCCCCCCCCCCCCCC(O[C@@H]([C@@H]1[C@H](OC(CCCCCCCCCCCCCCCCC)=O)[C@@H](OC(CCCCCCCCCCCCCCCCC)=O)CO1)CO)=O |
|
| MCULE-7942598042 |
0.64 |
CC1[C@@H]2C[C@@H]3[C@@]4(C)[C@@]([C@H]([C@H]([C@@H]([C@@H]4[C@@]2(C)[C@H](O)C(=O)C=1)O)O)C)(O)[C@@H](O)C(=O)O3 |
|
| MCULE-5714384003 |
0.64 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@H](O)[C@H](C)[C@@]4(O)[C@]3(C)[C@H](OC(=O)[C@@H]4O)CC2C(C)=C1 |
|
| MCULE-8140752933 |
0.64 |
O=C1C23C4CCC5(C)C(CCC5C4(CCC2(O)CC(O)CC3)O1)C(O)=O |
|
| MCULE-6868177435 |
0.64 |
C1(=O)[C@@H](O)[C@]2(C)[C@@]3([H])C4(O)OC[C@@]53[C@@](O)([C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C(=C)[C@H]4O |
|
| MCULE-1257766731 |
0.64 |
O=C1O[C@@]2([H])[C@]34[C@]([C@]5([C@H](O)C(=O)C=C(C)[C@@]5(C2)[H])C)([H])[C@@]([C@@H](C(=C)[C@]3(O)[C@H]1O)O)(O)OC4 |
|
| MCULE-2381125258 |
0.64 |
C1(=O)[C@@H](O)[C@]2(C)C3C4(OC[C@@]53[C@@](O)([C@@H](O)C(=O)O[C@@H]5CC2C(C)=C1)C(=C)[C@H]4O)O |
|
| MCULE-8693881242 |
0.64 |
C12(C3(C4[C@@]5([H])OC(=O)C(=C)C5CC[C@@](O)(C4(C1)C=C3)C)C)C(O[C@@]1([H])C2C[C@@H](OC(=O)C)[C@](O)(C)C2C1C(C)=CC2)=O |
|
| MCULE-5091433141 |
0.64 |
C12(CCC(OC1)C)OC2C(OCC)=O |
|
| MCULE-8523582209 |
0.64 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/CO)C(C(=C)C(=O)OC)C(O)C1C(=C)CO |
|
| MCULE-4970138467 |
0.64 |
C1C(OC(C)=O)C2(C)C(C(O)=O)C(O)(C)CCC2OC1C(O)(C)C |
|
| MCULE-6497127843 |
0.64 |
C1[C@H]2OC2(C)C[C@]2([H])OC(=O)[C@H]([C@@]2([H])C[C@@H]2O[C@]2(C)[C@H]1O)C |
|
| MCULE-5144586536 |
0.64 |
[C@@]12([H])C[C@H](O)C(C)(C)[C@@]1(O)[C@H](O)C[C@]13C[C@@](C)(O)[C@@]([H])(CC[C@@]1([H])C2=C)[C@H]3OC(=O)C |
|
| MCULE-8232801832 |
0.64 |
O(C1C2(C(C3(C4OC14)OC3)C1OC(=O)C(C)C1CC2)C)C(/C(=C\C)/C)=O |
|
| MCULE-7092891207 |
0.64 |
[C@@]123[C@H](OC(C)=O)CC4C(CC[C@]5(C)C(CCC54)[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(C)=O)[C@H]2O3 |
|
| MCULE-2225264833 |
0.64 |
[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@H](O)[C@H](O)C(C)[C@]4(O)[C@@H](O)C(=O)O[C@@H]([C@]34C)CC2C(O)(C)C1 |
|
| MCULE-3895174744 |
0.64 |
C12(OC1C1OC(C(O)(C)C)CC1(O)C(O)C2O)C/C=C(\C)/C |
|
| MCULE-3976457653 |
0.64 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(=C)C)CC[C@]5(C(=O)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@H]7[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O7)[C@@H](CO)O6)O5)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](O)[C@@H](O)CO1)C |
|
| MCULE-6501127560 |
0.64 |
C1C[C@]2([C@]3([C@](CC[C@]2([H])[C@@]2([H])[C@H](C(=C)C)CC[C@@]21C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@]4([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H]2O)O1)=O)([C@@]1(C)CC[C@@H]([C@@]([C@@]1(CC3)[H])(C)CO)O[C@@]1([H])[C@H](O)[C@@H](O)[C@@H](O)CO1)[H])C)C |
|
| MCULE-4306149194 |
0.64 |
[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-7854744392 |
0.64 |
[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-4777670330 |
0.64 |
C123C4(C)CCC(=O)C=C4CC(C(OC)=O)C1C1CCC4(CCC(=O)O4)C1(CC2O3)C |
|
| MCULE-2319475587 |
0.64 |
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-9504279897 |
0.64 |
C1C[C@@]2([C@@]3([C@@]([C@@]4(CC[C@@]5(C(O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@@H](CO)O7)O6)=O)CC[C@@H](C(=C)C)[C@@]5([H])[C@@]4([H])CC3)C)(C)CC[C@@]2([H])[C@](C)(CO)[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](O)[C@@H](O)CO1)[H])C |
|
| MCULE-8802033594 |
0.64 |
[C@@H]1(OC(=O)[C@@]23CC[C@@]4([C@]([C@@]2([H])[C@H](C(=C)C)CC3)([H])CC[C@]2([H])[C@]3(CC[C@H](O[C@@]5([H])[C@@H]([C@@H](O)[C@@H](O)CO5)O[C@]5([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)C(C)(C)[C@@]3(CC[C@@]42C)[H])C)C)O[C@H](CO[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@]3([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](CO)O2)[C@@H](O)[C@H](O)[C@H]1O |
|
| MCULE-5477551096 |
0.64 |
[C@@]12(C)CC(O[C@]1([H])C[C@H](CC2=O)C(C)=C)=O |
|
| MCULE-6179991618 |
0.64 |
C1(=O)O[C@]2([C@]([H])(CC3[C@](C)(CCC[C@@]43CO4)C2)C1=C)[H] |
|
| MCULE-4219636891 |
0.64 |
C12(C)CCC(C(C)(CO)C1CCC(C)C12CCC2(COC(=O)C2)O1)O |
|
| MCULE-6857516569 |
0.64 |
[C@]12(C)CC[C@@H]([C@@](C)(CO)C1CC[C@@H](C)[C@@]12CCC2(COC(=O)C2)O1)O |
|
| MCULE-2284449771 |
0.63 |
CC(C1C2(OC(=O)CC2)COC1)C |
|
| MCULE-5113477360 |
0.63 |
CC1OCC2(OC(=O)CC2)C1 |
|
| MCULE-7128824049 |
0.63 |
[C@@H]12O[C@]1(C(C)C)C(=O)[C@]13O[C@]41C[C@@]1(CCC5C(=O)OCC=5[C@]1([H])C4)[C@]13O[C@H]12 |
|
| MCULE-4887384222 |
0.63 |
C1C[C@@]2([C@]([C@@]3([H])[C@H](C(=C)C)CC[C@@]31C(O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@]4([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)=O)([H])CC[C@@]1([C@@]3(C)CC[C@H](O[C@]4([C@H](O[C@]5([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](CO4)O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[H])[C@@](C)(CO)[C@]3([H])CC[C@@]21C)[H])C |
|
| MCULE-1726017976 |
0.63 |
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 |
|
| MCULE-4074219109 |
0.63 |
O([C@@H]1O[C@@H](C)[C@H](O)[C@H]([C@H]1O)O)[C@@H]1[C@@H](O)[C@H](OC(=O)C23CCC(C(C)=C)C2C2C(CC3)(C3(C(CC2)C2(CCC(C(C2CC3)(C)C)O)C)C)C(O)=O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
|
| MCULE-8384798056 |
0.63 |
[C@H]1(O)CC2C(C(C)([C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C)=CCC1[C@@]2(C)C(=O)C[C@@]2(C([C@](O)(C)C(CCC(OC(=O)C)(C)C)=O)[C@H](O)C[C@@]12C)C |
|
| MCULE-9661109426 |
0.63 |
C1(C2OC32CC(C(O)(C)C)OC3C2OC12C/C=C(\C)/C)O |
|
| MCULE-6653977721 |
0.63 |
C12C(O)C3CC1C(C3)C(=O)O2 |
|
| MCULE-1582891230 |
0.63 |
O1C2C1CC(CC2)C(OCCO)=O |
|
| MCULE-2482956240 |
0.63 |
O1C(=O)C2C(O)C3CC1C2C3 |
|
| MCULE-8209146843 |
0.63 |
[C@@H]1(O)C[C@]2(C)C[C@@]3([H])OC(=O)[C@@H](C)[C@@]3([H])C[C@@]2([H])C(=C)C1 |
|
| MCULE-7169385551 |
0.63 |
C1C[C@]2(C)[C@@]3([H])[C@H](OC(C(CC)C)=O)[C@@H](OC(=O)C)[C@]4(C)[C@]([H])(C(C)=O)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](OC)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 |
|
| MCULE-4016207694 |
0.63 |
CC(C(=O)O[C@H]1[C@@]2([C@@]3([C@](CCC42[C@]2(O4)[C@]([C@@H](CC2)C(=O)C)(C)[C@@H]1OC(=O)C)([H])C[C@@H](O[C@H]1O[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@H](OC)C1)CC3)C)[H])C |
|
| MCULE-6420089738 |
0.63 |
C1C[C@]2(C)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(=O)C)[C@]4(C)[C@]([H])(C(C)=O)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](OC)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 |
|
| MCULE-1198051930 |
0.63 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/C)C(C(=C)C(=O)OC)C(O)C1C(=C)CO |
|
| MCULE-5311242901 |
0.63 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/C)C(C(=C)C(=O)O)C(O)C1C(=C)CO |
|
| MCULE-4080676904 |
0.63 |
CCC(C(OC1C(OC(C)=O)C2(C)C3(CCC2C(C)=O)OC23C1C1(C)C(CC2)CC(OC2OC(C)C(OC3OC(C)C(O)C(OC)C3O)C(OC)C2)CC1)=O)C |
|
| MCULE-2701869450 |
0.63 |
C1C[C@]2(C)[C@@]3([H])[C@H](OC(C(C)C)=O)[C@@H](OC(=O)C)[C@]4(C)[C@]([H])(C(C)=O)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](OC)[C@H](O)[C@@H](C)O2)[C@@H](C)O1 |
|
| MCULE-1144852740 |
0.63 |
C1(CC)(C(OC)=O)C2(O1)CCCOC2 |
|
| MCULE-8071794315 |
0.63 |
[C@]12(C)CC[C@@H]([C@@](C)(COC(C)=O)C1CC[C@@H](C)[C@@]12CC[C@]2(COC(=O)C2)O1)OC(C)=O |
|
| MCULE-2046245375 |
0.63 |
C1(=O)O[C@H]2[C@H](CC([C@](C)(CCCC(C)=O)C2)=O)C1=C |
|
| MCULE-1513050620 |
0.63 |
C1(CC)(C(OC)=O)OC21CCC(OC2)C |
|
| MCULE-4370552590 |
0.63 |
C12(C)CCC(C(C)(COC=O)C1CCC(C)C12CCC2(COC(=O)C2)O1)OC=O |
|
| MCULE-4277437706 |
0.63 |
C1(=O)OC(CC)(CC)C2(CCC1C(C)(C)O2)C |
|
| MCULE-3320906599 |
0.63 |
C1(=O)C2C(C)(C)OC(CC2)(C)C(C(C)C)O1 |
|
| MCULE-7503427022 |
0.63 |
C1(CC=CCC1C(=O)OCC1OC1)C(=O)OCC1OC1 |
|
| MCULE-4972774070 |
0.63 |
C12(CCC(OC1)C)OC2C(OC)=O |
|
| MCULE-6110640422 |
0.63 |
C1(C)(C(OC)=O)OC21CCC(OC2)C |
|
| MCULE-6599042408 |
0.63 |
[C@@]12(C)[C@@H](O)[C@H](CC1[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(O1)=O)O |
|
| MCULE-1302764179 |
0.63 |
C1(=O)OC(C)(C)C2(CCC1C(C)(C)O2)C |
|
| MCULE-1873003390 |
0.63 |
C12(CC34C(C5C(CCC3(C)O)C(C(=O)O5)=C)C1(C)C=C4)C(=O)OC1C3C(C)=CCC3C(C)(O)CC(OC(C)=O)C21 |
|
| MCULE-3117365017 |
0.63 |
CC1[C@@H]2[C@H]3OC(=O)[C@]4([C@@]5(C)[C@H]6[C@@H]7OC(=O)C(=C)[C@@H]7CC[C@](O)(C)[C@@]6(C=C5)C4)[C@@H]3[C@@H](OC(C)=O)C[C@](O)(C)[C@@H]2CC=1 |
|
| MCULE-7964218164 |
0.63 |
[C@]12(C)CC[C@@H]([C@@](C)(COC=O)C1CC[C@@H](C)[C@@]12CCC2(COC(=O)C2)O1)OC=O |
|
| MolPort-039-052-398 |
0.63 |
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)C[C@H]3C(=C)[C@H]4O |
|
| MolPort-002-523-817 |
0.63 |
C[C@@H]1CCC2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@@]11CC[C@]2(COC(=O)C2)O1)OC(C)=O |
|
| MolPort-002-516-796 |
0.63 |
CC(O)(CCl)C(=O)O[C@@H]1CC(=C)C2C[C@@H](O)[C@@](O)(CCl)C2[C@H]2OC(=O)C(=C)C12 |
|
| MolPort-002-526-004 |
0.63 |
CC(O)(CCl)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |
|
| MolPort-006-123-500 |
0.63 |
O=C(OCC1CO1)C1CC=CCC1C(=O)OCC1CO1 |
|
| MolPort-001-742-424 |
0.63 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)[C@@H](O)CC12 |
|
| MolPort-007-980-931 |
0.63 |
C[C@@H]1CCC2[C@](C)(COC=O)[C@H](CC[C@]2(C)[C@@]11CCC2(COC(=O)C2)O1)OC=O |
|
| MolPort-006-668-667 |
0.63 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(\C)=C/COC(C)=O)C=C |
|
| MolPort-044-754-078 |
0.63 |
CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]45O[C@@]44CC[C@@H](C(C)=O)[C@@]4(C)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@H]35)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1O |
|
| MolPort-006-668-458 |
0.63 |
CC(=O)OC\C=C(\C)C(=O)OC1CC(C)(C=C)C(C(O)C1C(=C)C(O)=O)C(=C)CO |
|
| MolPort-003-711-128 |
0.63 |
OC1C2CC3C(C2)C(=O)OC13 |
|
| MolPort-005-945-547 |
0.63 |
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@@H](OC(=O)C34CCC(C3C3CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(CC4)C(O)=O)C(C)=C)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
|
| MolPort-002-524-245 |
0.63 |
C[C@H]1[C@@H]2CC[C@@]3(C)O[C@]33CC=C(C)C3[C@H]2OC1=O |
|
| MolPort-001-739-826 |
0.63 |
CC(C)[C@H]1CC[C@@]2(O)COC(=O)[C@H]2[C@@H]1\C=C(/CO)C(O)=O |
|
| MolPort-001-742-436 |
0.63 |
C[C@@]1(O)CC[C@H]2[C@H]1CC1[C@H](CC2=C)OC(=O)C1=C |
|
| MolPort-001-739-548 |
0.63 |
CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO |
|
| MolPort-023-274-354 |
0.63 |
CC(=O)CCC[C@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O |
|
| MolPort-039-052-677 |
0.63 |
CO[C@@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]45O[C@@]44CC[C@@H](C(C)=O)[C@@]4(C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]35)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1O |
|
| MolPort-020-005-966 |
0.63 |
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)C[C@H]3C(=C)[C@H]4O |
|
| MolPort-046-684-155 |
0.63 |
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 |
|
| MolPort-042-675-421 |
0.63 |
C\C(\C=C\C1(O)C2(C)CC(O)CC1(C)C(=O)O2)=C/C(O)=O |
|
| MolPort-046-788-560 |
0.63 |
CC(C)=CCCC(C)(OC1OC(COC(C)=O)C(O)C1O)C1CCC2(C)C1C(O)CC1C(C)(CCC(O)=O)C(CCC21C)C(C)=C |
|
| MolPort-039-339-164 |
0.63 |
C[C@@H]1C=C2OC(=O)[C@@](C)(O)[C@]2(C)[C@@H]2[C@H](OC(C)=O)[C@H]3[C@@H]4[C@@H](O)C(=O)[C@H]5C[C@@H]6O[C@@H]6[C@H](OC(C)=O)[C@]5(C)[C@H]4[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)[C@@H]12 |
|
| MolPort-035-706-211 |
0.63 |
C[C@@H]1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H](O)[C@@]23OC1=O |
|
| MolPort-020-005-946 |
0.63 |
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 |
|
| MolPort-046-594-420 |
0.63 |
CC(CC(OC(C)=O)C1OC1(C)C)C1=C2CC(O)C3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1 |
|
| MolPort-039-052-526 |
0.63 |
CC(C)C(=O)O[C@@H]1C[C@]2(C)CC[C@@](O)(O2)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12 |
|
| MolPort-023-220-684 |
0.63 |
CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](OC(C)=O)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]4(C)[C@H]13)C(=O)C2=C |
|
| MolPort-028-754-178 |
0.63 |
CCC(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)[C@]2(C)[C@@H](CC[C@@]22O[C@]22CC[C@H]3C[C@H](CC[C@]3(C)[C@@H]12)O[C@H]1C[C@@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1)C(C)=O |
|
| MolPort-039-338-218 |
0.63 |
CC(=O)O[C@@H]1C(=C)[C@@H]2C[C@]11[C@@H](CC2)[C@@]23CO[C@@]1(O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CC[C@H]3O |
|
| MolPort-019-936-843 |
0.63 |
OC[C@H]1O[C@@H](OCC(C=C)C2CCOC(=O)C2CO)[C@H](O)[C@@H](O)[C@@H]1O |
|
| MolPort-046-153-031 |
0.63 |
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-028-610-074 |
0.63 |
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |
|
| MolPort-035-706-562 |
0.63 |
C[C@H]1[C@H]2C[C@H]3C(=C)C[C@H](O)C[C@]3(C)C[C@H]2OC1=O |
|
| MolPort-046-761-005 |
0.63 |
CCCCCCCCCCCCCCCC(O)CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(C)CC[C@@]32C)C(C)=C)C1(C)C |
|
| MolPort-046-697-264 |
0.63 |
CC(C)=CCC12OC1C1OC(CC11OC1C2O)C(C)(C)O |
|
| MolPort-001-739-547 |
0.63 |
CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO |
|
| MCULE-3358579622 |
0.63 |
O=C(OCC1CCCO1)C1CC2CC1C=C2 |
|
| MCULE-8728198723 |
0.63 |
C12[C@@](CCl)(O)[C@@H](CC1C(=C)C[C@@H](OC(=O)C(C)(CCl)O)C1C(C(=O)O[C@H]21)=C)O |
|
| MCULE-9530980879 |
0.63 |
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 |
0.63 |
CC(C1CCC2(C)C=1CC(O)C1C2(C)CCC2C1(C)CCC(C2(C)C)=O)CC(OC(C)=O)C1OC1(C)C |
|
| MCULE-5378991050 |
0.63 |
C(C)(=O)OC1CCC23C4CCC5(C)C(CCC5C4(CCC2(O)C1)OC3=O)C(O)=O |
|
| MCULE-9128728331 |
0.63 |
[C@H]12O[C@H]1C[C@]1([H])C(=O)[C@H](O)[C@@]3([H])[C@]4([H])[C@@H](OC(=O)C)[C@@]5([H])[C@@]6(C)[C@](C)(O)C(=O)OC6=C[C@@H](C)[C@]5([H])[C@@]4(C)[C@@H](OC(=O)C)[C@@H](OC(C)=O)[C@]3([H])[C@@]1(C)[C@H]2OC(=O)C |
|
| MCULE-1515661385 |
0.63 |
C1(C2C(C)C(C(/C=C/C(C)O)C)C(C=CC2C(C(=O)OC)C1O)C(OC1C(CO)OC(O)C(O)C1O)=O)O |
|
| MCULE-2855951051 |
0.63 |
C1C[C@@]2([H])[C@H](C)CC[C@@]3([H])[C@@H](C)C(=O)O[C@@]23[C@H](O)[C@@]1(O)C |
|
| MCULE-9972476176 |
0.63 |
O(CC(O)C(O)C(O)C(O)CO)C(=O)CC(CC(OC(CC(CC(O)CCCCC)O)=O)CCCCC)O |
|
| MCULE-7819400835 |
0.63 |
O(C(=O)CC(O)CC(OC(CC(O)CC(OC(CC(O)CC(O)CCCCC)=O)CCCCC)=O)CCCCC)CC(O)C(O)C(O)C(O)CO |
|
| MCULE-8342852060 |
0.63 |
C1C2(C(=O)OC(C)(C2(O)/C=C/C(/C)=C/C(=O)O)CC1O)C |
|
| MCULE-3442440014 |
0.63 |
C12(COC(CC)C1)OC2C(OC)=O |
|
| MCULE-9846907120 |
0.63 |
C12(CC(OC1C)C)OC2(CC)C(OC)=O |
|
| MCULE-5109632056 |
0.63 |
C12(COC(C)C1C)OC2C(OCC)=O |
|
| MCULE-4134940635 |
0.63 |
C12(COC(C)C1C)OC2(CC)C(OC)=O |
|
| MCULE-4888488411 |
0.63 |
C12(COC(C(C)C)C1)OC2(C)C(OC)=O |
|
| MCULE-1082085436 |
0.63 |
C12(COC(CC)C1)OC2(C)C(OC)=O |
|
| MCULE-1419590253 |
0.63 |
C12(COC(C(C)C)C1)OC2C(OC)=O |
|
| MCULE-4723116129 |
0.63 |
C12(COC(C)C1)OC2(CC)C(OC)=O |
|
| MCULE-3801527309 |
0.63 |
C12(COC(C)(C)C1)OC2(CC)C(OC)=O |
|
| MCULE-2303945332 |
0.63 |
C1(=O)[C@@H](O)[C@]2(C)[C@@]3([H])C4(O)OC[C@@]53[C@@]([H])(CC(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C(=C)[C@H]4O |
|
| MCULE-2391491595 |
0.63 |
C1(C(C)C)(C(OC)=O)OC21COC(C)C2 |
|
| MCULE-9964052623 |
0.63 |
C1(=O)O[C@@H]2C(C[C@@]3([C@]([H])(CC[C@@]3(C)O)C(=C)C2)[H])C1=C |
|
| MCULE-5000124600 |
0.63 |
[C@@]1([H])([C@@H](C(C)C)CC[C@@]2(O)COC(=O)[C@@]12[H])/C=C(\CO)/C(O)=O |
|
| MCULE-4112378800 |
0.63 |
[C@@]123CC=C(C)C1[C@@H]1[C@@H](CC[C@]2(O3)C)[C@@H](C(=O)O1)C |
|
| MCULE-6072747944 |
0.63 |
CC1C(C)C2(OC(=O)CC2)CO1 |
|
| MCULE-4203063339 |
0.63 |
CCC1C2(OC(=O)CC2)COC1 |
|
| MCULE-1147187446 |
0.63 |
CC(C1OCC2(OC(=O)CC2)C1)C |
|
| MCULE-5741519726 |
0.63 |
CCC1OCC2(OC(=O)CC2)C1 |
|
| MCULE-5023084438 |
0.63 |
CCCC1C2(OC(=O)CC2)COC1 |
|
| MCULE-2169387226 |
0.62 |
OC(C1C(C2OCCCC2)OCC1)=O |
|
| MCULE-7396094924 |
0.62 |
C(C)(=O)OC1CCC2(C)C3(C1)CCC1(C4CCC(C(C)CCC(C)C(C)C)C4(C)CC4C21O4)O3 |
|
| MCULE-5043130196 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(CC5C4(C3CCC2(C1)[H])O5)C(OC)=O)OC(C)=O |
|
| MCULE-7381430268 |
0.62 |
O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
|
| MCULE-9544967893 |
0.62 |
O=C1C=CC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(OCC)=O)OC(C)=O |
|
| MCULE-9391929686 |
0.62 |
OC(C1C(C2OCCCC2)OCCC1)=O |
|
| MCULE-8373483440 |
0.62 |
CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2([C@]([C@@]4([C@](CC2)(C(=O)O)CC[C@H]4C(=C)C)[H])([H])CC3)C)[H])(C)CC[C@@H]1OC(=O)CC(C)(C(=O)O)C)C |
|
| MCULE-6263626972 |
0.62 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C[C@@]2([H])C(C)=C1 |
|
| MCULE-8968794764 |
0.62 |
C1(=O)OC(CO)C(C(O)C1O)O |
|
| 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-5484629919 |
0.62 |
C1[C@@H]2OC(=O)[C@@]34C(=O)C(=C)[C@@H](C3)C[C@@H](O)[C@@]4([H])[C@@]32CO[C@@]2(OC[C@@](C)([C@H]32)C1)[H] |
|
| MCULE-8086273655 |
0.62 |
C1(C(O)C(CCCCCCC#CCCCCCCC=C)C(O1)=O)C |
|
| MCULE-9821020615 |
0.62 |
C1(=O)O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O |
|
| MCULE-5086433803 |
0.62 |
CC1[C@@H]2CC([C@@]3([C@@H]([C@@]2(C)[C@H](O)C(=O)C=1)[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@H]1C)C)=O |
|
| MCULE-3066550157 |
0.62 |
[C@@]12(C)CC[C@@]3(C([C@H](C(C)=C)CC3)[C@@]1([H])CCC1[C@@]2(C)CCC2[C@]1(C)CC[C@H](OC(CCC(O)=O)=O)C2(C)C)C(O)=O |
|
| MCULE-5004596863 |
0.62 |
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@@H]1[C@H](O)[C@@H](O)CO1 |
|
| MCULE-3406017340 |
0.62 |
O1C(=O)C(=C)C(C(O)=O)C1CCCCCCCC |
|
| MCULE-4529272492 |
0.62 |
O1C(=O)C(=C)[C@H](C(O)=O)[C@H]1CCCCCCCC |
|
| MCULE-9637062181 |
0.62 |
[C@H]12O[C@H]1C[C@]1([H])C(=O)[C@H](O)[C@@]3([H])[C@]4([H])[C@@H](O)[C@@]5([H])[C@@]6(C)[C@](C)(O)C(=O)OC6=C[C@@H](C)[C@]5([H])[C@@]4(C)[C@@H](OC(=O)C)[C@@H](OC(C)=O)[C@]3([H])[C@@]1(C)[C@H]2OC(=O)C |
|
| MCULE-7743603820 |
0.62 |
C12(COC(C1)C1CC1)OC2C(OC)=O |
|
| MCULE-6750130950 |
0.62 |
C12(COC(C1)C1CC1)OC2(C)C(OC)=O |
|
| MCULE-6609866523 |
0.62 |
[C@@H]12[C@]3([H])C(=C)CC[C@@]3([H])C(CC[C@H]1C(C(=O)O2)=C)=C |
|
| MCULE-1084105274 |
0.62 |
O1C(C(=C)[C@H]2CCC(=C)[C@H]3CCC(=C)[C@H]3[C@H]12)=O |
|
| MCULE-2410723097 |
0.62 |
[C@]12([H])C(=C)CC[C@@]1([H])C(=C)CC[C@@]1([H])C(C(=O)O[C@]21[H])=C |
|
| MCULE-3657815830 |
0.62 |
[C@@H]12[C@@]3([H])C(=C)CC[C@@]3([H])C(CC[C@H]1C(C(=O)O2)=C)=C |
|
| MCULE-5398302587 |
0.62 |
[C@]12([H])[C@](CCl)(O)[C@H](C[C@@]1([H])C(=C)C[C@H](OC(=O)C(C)=C)[C@H]1C(C(=O)O[C@H]21)=C)O |
|
| MCULE-8391236776 |
0.62 |
O=C1OC2(CC(C3CC3)OC2)CC1 |
|
| MCULE-6899731086 |
0.62 |
[C@H]12O[C@H]1C[C@]1([H])C(=O)[C@H](O)[C@@]3([H])[C@]4([H])[C@@H](O)[C@@]5([H])[C@@]6(C)[C@](C)(O)C(=O)O[C@]76O[C@H]7[C@@H](C)[C@]5([H])[C@@]4(C)[C@@H](OC(=O)C)[C@@H](OC(C)=O)[C@]3([H])[C@@]1(C)[C@H]2OC(=O)C |
|
| MCULE-6607478643 |
0.62 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@H](O)[C@H](O)[C@H](C)C4C(O[C@@H]([C@]34C)[C@H](O)C2C(C)=C1)=O |
|
| MCULE-8451955222 |
0.62 |
[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C2[C@H](C)C1 |
|
| MCULE-6779695938 |
0.62 |
C1[C@@H](C)[C@]2([H])[C@]3(CC=C(C)C(=O)[C@H]3OC(=O)C)[C@@](O)(C)O[C@]2([H])C(=O)O1 |
|
| MCULE-1876484367 |
0.62 |
C1(=O)C[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4([H])[C@@H](OC(/C=C(/C)\C)=O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C(=O)OC |
|
| MCULE-2233347949 |
0.62 |
[C@]12(C(C)=O)OCC[C@@]3(C1O)OC3C(=O)OC[C@@]13[C@]4([C@@H](C[C@@]([H])(O[C@]1([H])C=C(C)CC3)C14CO1)OC(=O)C=CCC2)C |
|
| MCULE-9788880463 |
0.62 |
[C@]12(O)[C@H](O)C[C@](C)(O)[C@@]1([H])COC(=O)C2 |
|
| MCULE-2622314247 |
0.62 |
O=C1OC(C2OCCCC2)CC1 |
|
| MCULE-3483169056 |
0.62 |
[C@H]12OC(C(=C)C1[C@@H](CC(=C)[C@]1([H])CC(=O)[C@@H](C)[C@]21[H])OC(=O)/C(=C/CO)/COC(=O)/C(/C)=C/CO)=O |
|
| MCULE-6635690519 |
0.62 |
C1(OC2(CC=C[Si](C)(C)C)CC3C4C5C6C73C1(C24)C5CC6(CC=C[Si](C)(C)C)OC7=O)=O |
|
| MCULE-8155881428 |
0.62 |
[C@@]12([H])C[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(C)(C)[C@@]1(O)[C@H](O)C[C@]13C[C@@](C)(O)[C@@]([H])(CC[C@@]1([H])C2=C)[C@H]3OC(=O)C |
|
| MCULE-2548997740 |
0.62 |
[C@]12([C@]3([H])[C@H](OC)OC[C@]3(C)CCC1)[C@]1([H])[C@H](O)C[C@H]3C(=C)C(=O)[C@@]1(C3)C(=O)OC2 |
|
| MCULE-5493069742 |
0.62 |
[C@]12([C@]3([H])[C@@H](OC)OC[C@]3(C)CCC1)[C@]1([H])[C@H](O)C[C@H]3C(=C)C(=O)[C@@]1(C3)C(=O)OC2 |
|
| MCULE-7007682454 |
0.62 |
[C@]12(C)C[C@@H]3C(=C)C(=O)O[C@@H]3C[C@H](C)[C@]1([H])CC(=O)[C@@H]2O |
|
| MCULE-1679243712 |
0.62 |
C12(COC(C)C1)OC2C(OCC)=O |
|
| MCULE-6403686255 |
0.62 |
C12(COC(C)C1C)OC2C(OC)=O |
|
| MCULE-4506985395 |
0.62 |
C12(COC(C)C1C)OC2(C)C(OC)=O |
|
| MCULE-6741904351 |
0.62 |
C12(COCC1C(C)C)OC2(C)C(OC)=O |
|
| MCULE-1096349828 |
0.62 |
C12(COCC1C(C)C)OC2C(OC)=O |
|
| MCULE-9197441194 |
0.62 |
C12(COCC1CC)OC2C(OC)=O |
|
| MCULE-7668130081 |
0.62 |
[C@]12(C)C[C@H](C(C(=O)O)=C)[C@H]3O[C@@]1([C@@H](C)C3)CCC2=O |
|
| MCULE-5024765104 |
0.62 |
C1(C)(C(OC)=O)OC21COCC2CC |
|
| MCULE-8074264815 |
0.62 |
O([C@H]1[C@H](O)[C@@H](O)[C@@H]([C@@H](C)O1)O)[C@@H]1[C@@H](CO)O[C@@H](OC[C@H]2O[C@H]([C@@H]([C@@H](O)[C@@H]2O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2[C@@](C)(CC3)[C@@]3(C)C(CC=2)[C@]2(C)C(CC3)[C@@](C(=O)O)(C)[C@@H](O)[C@@H](OC(=O)C)C2)[C@@H]([C@H]1O)O |
|
| MCULE-1897292950 |
0.62 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)[C@H](O)[C@@]2([H])C(C)=C1 |
|
| MCULE-3968820569 |
0.62 |
C1=CC2CC3OC(=O)C4C3C2C1C4C(OC)=O |
|
| MCULE-3684967356 |
0.62 |
C1(OC2OC(CO)C(O)C(O)C2O)CC2C(C(C)(C)C1O)=CCC1C2(C)CCC2(C)C(C(OC(C)=O)CC12C)C(C(CCC(O)(C)C)=O)(O)C |
|
| MCULE-7914276135 |
0.62 |
C1=CC2([H])CC3([H])OC(=O)C4([H])C3([H])C2([H])C1([H])C4C(O)=O |
|
| MCULE-6794200020 |
0.62 |
C12(CC(OC1=O)COCC(C)C)CC(OC2=O)(C)C(C)=O |
|
| MCULE-1396534041 |
0.62 |
C[C@]12[C@@]3(OC3)[C@H](O[C@@]3(C=C(C(=O)[C@H](O)[C@]13CO)C)[H])[C@H](O)[C@H]2OC(=O)C |
|
| MCULE-6394099577 |
0.62 |
C(OC(=O)CCCCCCCC1OC1CC1OC1CCCCC)(COC(CCCCCCCC1OC1CC1OC1CCCCC)=O)COC(=O)CCCCCCCC1OC1CC1OC1CCCCC |
|
| MCULE-5294031277 |
0.62 |
COC(C1C2(COCC2)OCC1O)=O |
|
| MCULE-5179814934 |
0.62 |
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 |
|
| MolPort-006-822-499 |
0.62 |
CCCCCCCCCCCC(=O)OCCOCC(OCCO)C1OCC(OCCO)C1OCCO |
|
| MolPort-009-018-948 |
0.62 |
CCCCCCCC[C@H]1OC(=O)C(=C)C1C(O)=O |
|
| MolPort-021-804-541 |
0.62 |
CC(=O)OC1C(O)C=C(C)C2CC3C(CC12C)OC(=O)C3=C |
|
| MolPort-027-853-593 |
0.62 |
CC(=C)C1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)C[C@@H](OC(C)=O)[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O |
|
| MolPort-039-338-816 |
0.62 |
CO[C@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](C[C@@H](O)[C@@H]34)C(=C)C5=O)[C@H]12 |
|
| MolPort-039-338-815 |
0.62 |
CO[C@@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](C[C@@H](O)[C@@H]34)C(=C)C5=O)[C@H]12 |
|
| MolPort-039-338-914 |
0.62 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@]2(C)C(CC1=O)C(C)=CC2=O |
|
| MolPort-039-338-810 |
0.62 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H]6OC(=O)[C@@](CO)([C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |
|
| MolPort-027-853-725 |
0.62 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)C(=O)C[C@@H]12 |
|
| MolPort-027-853-726 |
0.62 |
C[C@H]1C[C@@H]2O[C@]11CCC(=O)[C@@]1(C)C[C@@H]2C(=C)C(O)=O |
|
| MolPort-019-937-058 |
0.62 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2[C@@H](O)C1=O |
|
| MolPort-039-338-255 |
0.62 |
C[C@]12CCC[C@]3(OC1=O)[C@@H]2CC[C@@]12C[C@H](CC[C@]31C)C(=C)C2 |
|
| MolPort-023-220-347 |
0.62 |
CCCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCC)OC(=O)CCCCCCCC1OC1CC1OC1CCCCC |
|
| MolPort-039-052-423 |
0.62 |
CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]11[C@@H](CC2)[C@@]23CO[C@@]1(O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)C=CC3=O |
|
| MolPort-046-702-694 |
0.62 |
CC(=O)OCC12C(O)C(=O)C(C)=CC1OC1C(O)CC2(C)C11CO1 |
|
| MolPort-046-426-155 |
0.62 |
CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)C11CO1 |
|
| MolPort-039-336-702 |
0.62 |
CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)[C@]11CO1 |
|
| MolPort-019-939-202 |
0.62 |
CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@]1(C)[C@]21CO1 |
|
| MolPort-046-764-979 |
0.62 |
CCCCCC\C=C\CCCCCCCCCC(=O)OCC1CO1 |
|
| MolPort-039-338-947 |
0.62 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |
|
| MolPort-039-052-698 |
0.62 |
C[C@]1(O)C[C@@H](O)[C@]2(O)CC(=O)OC[C@H]12 |
|
| MolPort-003-934-944 |
0.62 |
OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O |
|
| MolPort-019-937-059 |
0.62 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2CC1=O |
|
| MolPort-039-052-557 |
0.62 |
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](C[C@H](O)[C@@H]21)C(=C)[C@H]3O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
|
| MolPort-046-764-394 |
0.62 |
O[13CH2][13C@H]1O[13C](=O)[13C@H](O)[13C@@H](O)[13C@@H]1O |
|
| MolPort-046-764-638 |
0.62 |
OC[C@H]1O[13C](=O)[C@H](O)[C@@H](O)[C@@H]1O |
|
| MolPort-039-338-915 |
0.62 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)[C@H](O)C(=O)C=C(C)C2CC1=O |
|
| MolPort-039-061-889 |
0.62 |
CCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O |
|
| MolPort-035-705-869 |
0.62 |
C[C@]12CO[C@H]3OC[C@]4([C@@H]13)[C@H](CC2)OC(=O)[C@@]12C[C@@H](C[C@@H](O)[C@@H]41)C(=C)C2=O |
|
| MolPort-046-765-459 |
0.62 |
C[C@]12C[C@H]3O[C@]33C([C@@H]1CC[C@@]21CCC(=O)O1)[C@H](CC1=CC(=O)CC[C@@]31C)C(O)=O |
|
| 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-046-508-971 |
0.62 |
COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)=CC(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O |
|
| MolPort-023-276-452 |
0.62 |
CCCCCCCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O.CCCCCCCC[C@@H]1OC(=O)C(=C)[C@H]1C(O)=O |
|
| MolPort-039-339-162 |
0.62 |
C[C@@H]1C=C2OC(=O)[C@@](C)(O)[C@]2(C)[C@@H]2[C@H](O)[C@H]3[C@@H]4[C@@H](O)C(=O)[C@H]5C[C@@H]6O[C@@H]6[C@H](OC(C)=O)[C@]5(C)[C@H]4[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)[C@@H]12 |
|
| MolPort-019-992-810 |
0.62 |
C=C1CCC2C1C1OC(=O)C(=C)C1CCC2=C |
|
| MolPort-039-339-019 |
0.62 |
C[C@@H]1[C@@H]2O[C@@]22OC(=O)[C@@](C)(O)[C@]2(C)[C@@H]2[C@H](O)[C@H]3[C@@H]4[C@@H](O)C(=O)[C@H]5C[C@@H]6O[C@@H]6[C@H](OC(C)=O)[C@]5(C)[C@H]4[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)[C@@H]12 |
|
| MolPort-019-937-063 |
0.62 |
C[C@@H]1C2C(=O)O[C@@H]3[C@H](O)C4C(C)=CC(=O)[C@@H](O)[C@]4(C)C([C@H](O)[C@@H]1O)[C@]23C |
|
| MolPort-039-338-559 |
0.62 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)[C@H](O)[C@@H](O)C[C@@H](C)C2=CC1=O |
|
| MolPort-035-706-182 |
0.62 |
C[C@@H]1COC(=O)[C@H]2O[C@@](C)(O)[C@@]3(CC=C(C)C(=O)[C@H]3OC(C)=O)[C@@H]12 |
|
| MolPort-046-689-900 |
0.62 |
[2H]C([2H])(OC(=O)CCCCCCC\C=C/CCCCCCCC)C1([2H])OC1([2H])[2H] |
|
| MolPort-044-183-181 |
0.62 |
CCCCC[C@@H](O)\C=C\[C@@H]1C[C@@H](O)[C@H]2OC(=O)C[C@@H]12 |
|
| MolPort-002-524-576 |
0.62 |
CC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |
|
| MolPort-003-666-440 |
0.62 |
OC[C@@H]1OC(=O)[C@@H](O)[C@H](O)[C@H]1O |
|
| MolPort-006-116-874 |
0.62 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC1CO1 |
|
| MolPort-001-741-148 |
0.62 |
CC(=O)OC1CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(O)C4(C)C)C3(C)CCC2(C)C1C(C)(O)C(=O)CCC(C)(C)O |
|
| MolPort-000-731-552 |
0.62 |
CC(C)COCC1CC2(CC(C)(OC2=O)C(C)=O)C(=O)O1 |
|
| MolPort-002-512-368 |
0.62 |
CC(C)COCC1C[C@]2(CC(C)(OC2=O)C(C)=O)C(=O)O1 |
|
| MolPort-001-740-330 |
0.62 |
C[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OC[C@H]3O[C@@H](OC(=O)[C@]45CCC(C)(C)C[C@H]4C4=CCC6[C@@]7(C)C[C@H](OC(C)=O)[C@H](O)[C@](C)(C7CC[C@@]6(C)[C@]4(C)CC5)C(O)=O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |
|
| MolPort-016-638-434 |
0.62 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1 |
|
| MolPort-001-742-441 |
0.62 |
C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H](OC(=O)C(\COC(=O)C(\C)=C\CO)=C\CO)C1[C@@H]2OC(=O)C1=C |
|
| MolPort-006-822-624 |
0.62 |
C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C |
|
| MolPort-005-933-439 |
0.62 |
CCCCCCCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O |
|
| MolPort-002-511-911 |
0.62 |
CCCCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O |
|
| MolPort-002-507-312 |
0.62 |
OC[C@H]1OC(=O)[C@H](O)[C@@H](O)C1O |
|
| MolPort-006-822-549 |
0.62 |
CCCCCCCCC1OC(=O)C(=C)C1C(O)=O |
|
| MolPort-006-170-151 |
0.62 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |
|
| MolPort-001-785-881 |
0.62 |
OCC1OC(=O)C(O)C(O)C1O |
|
| MolPort-003-939-304 |
0.62 |
CCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O |
|
| MolPort-000-803-190 |
0.62 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O |
|
| MolPort-005-945-550 |
0.62 |
CC1OC(=O)C(CCCCCCC#CCCCCCCC=C)C1O |
|
| MolPort-046-764-837 |
0.61 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C(O)C2=CC(O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |
|
| MolPort-046-762-778 |
0.61 |
CC(O)C(C)C1OC1CC1COC(C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)C(O)C1O |
|
| MolPort-046-195-363 |
0.61 |
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-019-937-365 |
0.61 |
CC1C(CC2(CCC3(C)C(=CCC4C5(C)CC(O)C(OC(C)=O)C(C)(C5CCC34C)C(O)=O)C2C1(C)O)C(O)=O)OC1OC(CO)C(O)C(O)C1O |
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| MolPort-039-338-527 |
0.61 |
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 |
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| MolPort-044-561-115 |
0.61 |
CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C |
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| MolPort-046-790-459 |
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C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@](C)([C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(O)=O)[C@H](O)[C@H](O)[C@H]1O[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O |
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| MolPort-023-274-269 |
0.61 |
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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| MolPort-044-875-291 |
0.61 |
C[C@H](CCC(O)=O)C[C@H](C)C[C@H](C)C(=O)CC(=O)[C@H](C)C[C@H](C)C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@](C)(O1)[C@@H](C)O |
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| MolPort-046-689-506 |
0.61 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |
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| MolPort-039-338-133 |
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C[C@@]12CCC[C@@]3(OC1=O)[C@H]2CC(=O)[C@@H]1C[C@@](C)(CC[C@@]31C)C=C |
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| MolPort-039-052-371 |
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C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3CC[C@@H]3[C@H]5[C@@H](CC[C@@]5(CC[C@@]43C)C(O)=O)C(C)=C)[C@]2(C)CO)[C@H](O)[C@H](O)[C@H]1O |
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| MolPort-046-697-257 |
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CC(C)=CCC12OC1C1OC(CC1(O)C1OC(=O)OC21)C(C)(C)O |
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| MolPort-046-761-981 |
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C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](C1)(CC[C@@H]23)O[C@@H]1OC(CO)[C@@H](O)C(O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)[C@@H]1O[C@@H]1OC(CO)[C@@H](O)C(O)[C@@H]1O)C(=O)O[C@@H]1OC(CO)[C@@H](O)C(O)[C@@H]1O |
|
| MolPort-046-689-861 |
0.61 |
[Na+].C[C@H](O)[C@H](C)C(O)[C@@H]1C[C@H]2CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]2O1 |
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| MolPort-023-274-402 |
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C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@]34C[C@]5(CC3=C)CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]5CC4)O[C@H](CO)[C@@H](O)[C@@H]2O[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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| MolPort-035-706-167 |
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C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)CC[C@@H]12 |
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| MolPort-027-456-704 |
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COC(=O)C1OC11CCCOC1 |
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| MolPort-019-937-565 |
0.61 |
CC(=C)C(O)CCC(C)(O)C1(O)CCC2(C)C1C(CC1C3(C)CCC(OC(=O)CC(O)=O)C(C)(C)C3CCC21C)OC(C)=O |
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| MolPort-039-338-376 |
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CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@H](O)[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@@H]25)CC[C@@]34C)C1(C)C |
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| MolPort-035-705-819 |
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C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(=C)[C@H]3O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
|
| MolPort-035-706-296 |
0.61 |
CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@H]5[C@@H]4CC=C3C2)[C@H](C)CC[C@@H](CC)C(C)C)[C@H](O)[C@@H](O)[C@@H]1O |
|
| MolPort-035-706-184 |
0.61 |
C[C@@H]1COC(=O)[C@H]2O[C@@](C)(O)[C@@]3(CC=C(C)C(=O)[C@H]3O)[C@@H]12 |
|
| MolPort-044-649-703 |
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CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@@H](O)C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@@]41C |
|
| MolPort-044-649-709 |
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CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@@H](O)C[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]41C |
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| MolPort-039-145-144 |
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CC(=O)O[C@@H]1C[C@@]2(C)[C@]3(CO3)[C@@H]1O[C@@H]1C=C(C)C(=O)[C@@H](O)[C@]21CO |
|
| MolPort-035-706-362 |
0.61 |
COC(=O)CC[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H](CC[C@@]21C)[C@]1(C)CC[C@H](O1)C(C)(C)O)C(C)=C |
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| MolPort-046-761-511 |
0.61 |
CC12C=CC[C@@]3(OC1=O)[C@@H]1CC[C@]4(O)C[C@]1(CC4=C)[C@H]([C@H]23)C(O)=O |
|
| MolPort-039-337-161 |
0.61 |
CC(=C)C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CC=C(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |
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| MolPort-046-697-146 |
0.61 |
CC12CCCC(C)(C1CCC13CC(=C)C(O)(C1)CCC23)C(=O)OC1OC(CO)C(O)C(O)C1O |
|
| MolPort-029-887-062 |
0.61 |
C[C@H]1C[C@@H]2OC(=O)[C@@H](CO)[C@@H]2[C@@H]1CO |
|
| MolPort-028-754-165 |
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=O |
|
| MCULE-5404869901 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CCCCCCCCCCCCCCC)O1 |
|
| MCULE-1983952062 |
0.61 |
C1[C@@H](C)[C@]2([H])[C@]3(CC=C(C)C(=O)[C@H]3O)[C@@](O)(C)O[C@]2([H])C(=O)O1 |
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| MCULE-6953967851 |
0.61 |
C12(C)CCC(OC1=O)(CO)C2(C)C |
|
| MCULE-8269449734 |
0.61 |
[C@@]12([H])[C@@H](OC(=O)[C@H]1CO)C[C@H](C)[C@@]2([H])CO |
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| MCULE-1046917074 |
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O1C2C3CC(C(C3)C(OCCCC)=O)C12 |
|
| MCULE-4757768221 |
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C(C(=O)OC)C[C@]1(C)[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@@H](C(O)(C)C)O4)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C |
|
| MCULE-8410074246 |
0.61 |
C12(C)C(O)CCC(C(=O)O1)C2(C)C |
|
| MCULE-5045023192 |
0.61 |
C[C@]12CC[C@@]3([H])C(C(=O)CC[C@]3(C)[C@]1([H])[C@@H](O)CC1=C([C@H](C)C[C@@H]([C@@]3([H])OC3(C)C)OC(=O)C)C(=O)C[C@]21C)(C)C |
|
| MCULE-3343469308 |
0.61 |
C1[C@@H](O)[C@]2(C)C[C@H](OC(=O)C(C)=C)[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1 |
|
| MCULE-6548619577 |
0.61 |
C1CC2(C)C3CCC4(O)C(=C)CC3(C4)CCC2C(C)(C(=O)OC2C(O)C(O)C(O)C(CO)O2)C1 |
|
| MCULE-4345913198 |
0.61 |
O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC(=O)[C@@]1([C@]2([H])[C@@]([C@@]3(CC[C@@]4(C[C@@]3(CC2)CC4=C)O)[H])(C)CCC1)C |
|
| MCULE-3123508789 |
0.61 |
CC(O[C@H]([C@@H]1C(C)(C)O1)CC(C1=C2C[C@@H]([C@H]3[C@]4(CCC(C(C)(C)[C@@H]4CC[C@]3(C)[C@H]2CC1=O)=O)C)O)(C)C)=O |
|
| MCULE-8745681154 |
0.61 |
C12(CC(OC1=O)COCC(C)C)CC(C)C(CC2=O)=O |
|
| MCULE-9250663281 |
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COC(C1C2(COCCC2)O1)=O |
|
| MCULE-2873628166 |
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[C@@]12([H])CC[C@H](O)[C@@]1(C)C[C@@H]1C(=C)C(=O)O[C@H]1C[C@H]2C |
|
| MCULE-2653956413 |
0.61 |
C1(C)(C(O1)C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(=CCC[C@]2(O[C@@]2([H])[C@@]2([H])OC(=O)C(=C)[C@]12[H])C)C(OC)=O |
|
| MCULE-2551270992 |
0.61 |
C1(OC2OC(CO)C(C(O)C2O)O)C(O)C(O)C(OC1OC12CCC3(C(CC1=C)(CCC1([H])C(CCCC31C)(C)C(=O)OC1OC(CO)C(C(O)C1O)O)C2)[H])CO |
|
| MCULE-9176907756 |
0.61 |
[C@H]1(O[C@@H]2O[C@@H](C)[C@@H]([C@@H](O)[C@H]2O)O)[C@H](O[C@]23CC[C@@]4([C@@](CC2=C)(CC[C@]2([H])[C@](CCC[C@@]42C)(C)C(=O)O[C@@H]2O[C@H](CO)[C@H]([C@H](O)[C@H]2O)O)C3)[H])O[C@@H]([C@@H](O)[C@@H]1O)CO |
|
| MCULE-5244559473 |
0.61 |
C1C[C@@]2(C)[C@]3([H])CC[C@@]4(O[C@H]5[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@H](O)[C@@H](CO)O5)C(=C)CC3(C4)CC[C@]2([H])[C@](C)(C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=O)C1 |
|
| MCULE-8726959891 |
0.61 |
C[C@]12[C@H]3[C@]4(C[C@@](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@@H](O)[C@H](O)[C@@H](CO)O5)(CC3)C(=C)C4)CC[C@@H]1[C@@](C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)=O)(C)CCC2 |
|
| MCULE-7688904375 |
0.61 |
[C@@H]1(O[C@@H]2O[C@H](CO)[C@H]([C@H](O)[C@H]2O)O)[C@@H](O)[C@H](O)[C@H](O[C@H]1O[C@]12CC[C@@]3([C@@](CC1=C)(CC[C@]1([H])[C@](CCC[C@@]31C)(C)C(=O)O[C@@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O)C2)[H])CO |
|
| MCULE-3556341827 |
0.61 |
CC(C12C(O)C34C(CC5C(C)(C63C(O6)C1O2)CCC1C(OCC5=1)=O)O4)C |
|
| MCULE-5702185362 |
0.61 |
[C@]123O[C@@]1([H])[C@@]1([H])[C@@](O1)(C(C)C)[C@@H](O)[C@]12O[C@@]1([H])C[C@@]1([H])C2COC(=O)C=2CC[C@]31C |
|
| MCULE-3581898493 |
0.61 |
C1C[C@]2(C)[C@]34O[C@H]3[C@@H]3O[C@]3(C(C)C)[C@@H](O)[C@]34O[C@H]3C[C@@]2([H])C2COC(=O)C1=2 |
|
| MCULE-8687752377 |
0.61 |
O=C(O)[C@H]1[C@@H](OC(=O)C1=C)CCC |
|
| MCULE-9495313349 |
0.61 |
[C@@]12(C)C(=O)CC[C@@]1(O)[C@@H](C)CC[C@]1([H])[C@@]2([H])OC(C1=C)=O |
|
| MCULE-3513164909 |
0.61 |
C1(O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)=O |
|
| MCULE-4045639684 |
0.61 |
C12(C)C(=O)CCC1(O)C(C)CCC1C2OC(C1=C)=O |
|
| MCULE-7402536998 |
0.61 |
O[C@H]1CC[C@@]2(C)C([C@]1(C(O)=O)C)CC[C@]1([C@]3(C)CC[C@]4(CC[C@H]([C@]([C@@]4([H])C3=CCC21)(O)C)C)C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)O1)C |
|
| MCULE-2992568144 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1C[C@@H](O)[C@]2(O)C(=O)COC(C)=O |
|
| MCULE-9382429190 |
0.61 |
OC1C2CC(C(O)=O)C(O2)C1O |
|
| MCULE-5725391426 |
0.61 |
C12CC3C1(CC(=O)CC(C)C(=O)O)C(=O)OC2(CO)CC3 |
|
| MCULE-3747126841 |
0.61 |
C1C[C@@]23OC(=O)[C@](C)([C@]2([H])CC(=O)[C@]2([H])C[C@@](C=C)(C)CC[C@]23C)C1 |
|
| MCULE-8292530097 |
0.61 |
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-5949800550 |
0.61 |
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-4446927847 |
0.61 |
[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 |
|
| MCULE-6114828313 |
0.61 |
OC1C(C2(C(O)=O)CC=CC2)COC1 |
|
| MCULE-7796629536 |
0.61 |
C1C[C@]2(C)[C@]34O[C@H]3[C@@H]3O[C@]3(C(C)C)C(=O)[C@]34O[C@H]3C[C@@]2([H])C2COC(=O)C1=2 |
|
| MCULE-8736767988 |
0.61 |
O=C1C2CC[C@@]3([C@]45O[C@H]4[C@@H]4O[C@]4(C(C)C)C(=O)[C@]45O[C@H]4C[C@@]3([H])C=2CO1)C |
|
| MCULE-7448178395 |
0.61 |
[C@H]12C(CCC(C)=C3CCC(C)(O)C13)C(C(=O)O2)C |
|
| MCULE-6388085128 |
0.61 |
CC(C12C(=O)C34OC3CC3C(C)(CCC5C(=O)OCC=53)C34OC3C1O2)C |
|
| MCULE-8726454334 |
0.61 |
[C@@]12(C)[C@@H](O)CC=C(C)[C@@]1([H])[C@H]1[C@H](C(C(=O)O1)=C)[C@H](O)C2 |
|
| MCULE-5198741898 |
0.61 |
[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-4155630515 |
0.61 |
[C@@H]1([C@@]2([H])[C@](C)(C(OC(=O)C(=C)C)[C@@]3(C(=C)C(=O)O[C@@H]3C1)[H])C(C=C2)=O)C |
|
| MCULE-5325377420 |
0.61 |
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-1499638877 |
0.61 |
CC(C(C1C(CC2C(O)C(O)C(CC(=CC(OCCCCCCCCC(=O)O)=O)C)OC2)O1)C)O |
|
| MCULE-1584743999 |
0.61 |
[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-9560339671 |
0.61 |
C(OCCCC)(C12C(CCCC1)O2)=O |
|
| MCULE-8365402403 |
0.61 |
C1[C@@]23CC/C(=C(/C)\C)/C2CC[C@@](C(O)=O)(O)[C@@H]1OC3 |
|
| MCULE-4960489764 |
0.61 |
C1[C@@H]([C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)CC1)OC([C@@H](C)CC)=O |
|
| MCULE-3402569698 |
0.61 |
C1C2COC(=O)C2C(C(O)=O)C(C)C=1 |
|
| MCULE-1713450438 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@]5([H])[C@H](C(=C)C)CC[C@]5(C(=O)O)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](O)[C@@H](O)CO1)C |
|
| MCULE-3093710663 |
0.61 |
[C@]12([H])[C@H](C(C)=C)CC[C@]1(C(O)=O)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4[C@H](O[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)[C@@H](O)[C@@H](O)CO4)[C@](CO)(C)[C@]3([H])CC[C@@]12C |
|
| MCULE-9246956000 |
0.61 |
[C@@]123CC[C@]4([H])[C@](C)(C(=O)O[C@H]5[C@H](O)[C@H]([C@H](O)[C@@H](CO)O5)O)CCC[C@@]4(C)[C@]1([H])CC[C@@](C(=C)C2)(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H]([C@H](O)[C@@H](O)[C@H]2O)C)CO)[C@H]1O)CO)C3 |
|
| MCULE-5653520634 |
0.61 |
C12C3C(C4OC(=O)OC4C1(C/C=C(\C)/C)O2)(O)CC(C(O)(C)C)O3 |
|
| MCULE-1077324338 |
0.61 |
C[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@H](O)[C@@H](CO)O[C@H]2O[C@@]23C(=C)C[C@@]4([C@](CC2)([H])[C@]2(C)CCC[C@@](C)(C(=O)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@@]2([H])CC4)C3)O1 |
|
| MCULE-8461543288 |
0.61 |
[C@]123CC[C@]4([H])[C@](C)(C(=O)O[C@H]5[C@H](O)[C@@H]([C@@H](O)[C@@H](CO)O5)O)CCC[C@@]4(C)[C@]1([H])CC[C@](C(=C)C2)(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O[C@H]2[C@H](O)[C@H]([C@H](O)[C@@H](CO)O2)O)CO)[C@H]1O)CO)C3 |
|
| MCULE-6887687045 |
0.61 |
C1C[C@@]2(C)[C@]3([H])CC[C@@]4(O[C@H]5[C@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O6)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@H](O)[C@@H](CO)O5)C(=C)C[C@@]3(C4)CC[C@]2([H])[C@](C)(C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=O)C1 |
|
| MCULE-3144342030 |
0.61 |
[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)[C@]1([C@]2(CC[C@@]34[C@]([C@@]2(CCC1)C)([H])CC[C@@](O[C@]1([H])O[C@H](CO)[C@@H](O)[C@@H]([C@H]1O[C@@]1([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)O[C@@]1([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)(C(=C)C3)C4)[H])C |
|
| MCULE-6661430076 |
0.61 |
C[C@@]12CCC[C@@](C)(C(=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@]1([H])CC[C@]13CC(=C)[C@](O[C@]4([H])O[C@H](CO)[C@@H](O)[C@H](O[C@@]5([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)[C@H]4O[C@@]4([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)(CC[C@@]21[H])C3 |
|
| MCULE-3127023232 |
0.61 |
[C@]123CC[C@]4([H])[C@@](C)(CCC[C@@]4(C)[C@]1([H])CC[C@](C(=C)C2)(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O[C@H]2[C@H](O)[C@H]([C@H](O)[C@@H](CO)O2)O)[C@H]1O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)CO)C3)C(=O)O[C@H]1[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O |
|
| MCULE-3648668999 |
0.61 |
C1C[C@@]2(C)[C@]3([H])CC[C@@]4(O[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@H](O)[C@@H](CO)O5)C(=C)CC3(C4)CC[C@]2([H])[C@](C)(C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=O)C1 |
|
| MCULE-8165577611 |
0.61 |
[C@@H]1(O)[C@@H](CO)O[C@@H](OC([C@]2(C)CCC[C@@]3(C)[C@]4([H])CC[C@@]5(O[C@@]6([H])[C@H](O[C@]7([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H](O[C@@]7([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@H](O)[C@@H](CO)O6)C(=C)C[C@@]4(C5)CC[C@]23[H])=O)[C@H](O)[C@H]1O |
|
| MCULE-4609616837 |
0.61 |
CC1([C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](COC(=O)C)O3)[C@@H](O)CO2)[C@@]2(C)[C@H](C3[C@](CC2)(C)[C@@]2(C)[C@@H]([C@@]4([C@@H](CC2)[C@](CO)(C)[C@@H](O[C@H]2[C@H](O[C@H]5[C@H](O[C@H]6[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O6)[C@@H](O)[C@@H](O)[C@@H](CO)O5)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)CC4)C)CC=3)C1)C |
|
| MCULE-4730168445 |
0.61 |
[C@H]1([C@@H](OC(=O)C)[C@](OC[C@H]1OC(=O)C)([H])O[C@H]1[C@@H](O)CO[C@@]([H])(O[C@@H]2[C@@H](C(C[C@]3(C4=CC[C@]5([H])[C@@]6(C)CC[C@H](O[C@]7([C@H](O[C@@]8([H])[C@H](O[C@@]9([H])[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O9)[C@@H](O)[C@@H](O)[C@@H](CO)O8)[C@@H](O)[C@@H]([C@H](O7)C(O)=O)O)[H])[C@@](C)([C@]6([H])CC[C@@]5(C)[C@@]4(CC[C@@]23C)C)CO)[H])(C)C)O)[C@@H]1O)OC(=O)C |
|
| MCULE-6449749404 |
0.61 |
[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 |
|
| MCULE-4197557912 |
0.61 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CC(C4(O)C3CCC2(C1)[H])OC(C)=O)C(OC)=O)=O |
|
| MCULE-6100213159 |
0.61 |
C1(CC)(C(OC)=O)OC21COCC2(C)C |
|
| MCULE-6575863953 |
0.61 |
C1(C(C)C)(C(OC)=O)OC21COCC2C |
|
| MCULE-1433523479 |
0.61 |
C1(CC)(C(OC)=O)OC21COCC2C |
|
| MCULE-6752055358 |
0.61 |
[C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2[C@]1(C)CCC(OC(CCC(O)=O)=O)C2(C)C)COC(CCC(O)=O)=O |
|
| MCULE-5987300664 |
0.61 |
C(C)(=O)OC1CCC23C4CCC5(C)C(CCC5C4(CCC2(O)C1)OC3)C(OCC)=O |
|
| MCULE-5288846423 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2(O)C1)OC(C)=O)=O |
|
| MCULE-2425846667 |
0.61 |
C12C(C(=C)C)CCC1(COC(=O)CCC(=O)O)CCC1(C)C3(C)CCC4C(C)(C)C(CCC4(C)C3CCC21)OC(=O)CCC(=O)O |
|
| MCULE-3152698791 |
0.61 |
C12(COC(C)C1)OC2C(OC)=O |
|
| MCULE-4635843435 |
0.61 |
C1(CC)(C(OC)=O)OC21CCOC2C |
|
| MCULE-3811478133 |
0.61 |
C(O)(C1CC2(C3C41CC(CC3)OC4=O)OCCO2)=O |
|
| MCULE-3704593866 |
0.61 |
C1(CC)(C(OC)=O)OC21COCC2 |
|
| MCULE-9559921808 |
0.61 |
C12(COC(C)C1)OC2(C)C(OC)=O |
|
| MCULE-4167824298 |
0.61 |
C1(CC)(C(OC)=O)OC21CCOC2(C)C |
|
| MolPort-002-535-422 |
0.61 |
C[C@@]12CCC[C@](C)(C1CC[C@@]13CC(=C)[C@@](C1)(CCC23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
|
| MolPort-006-131-346 |
0.61 |
C[C@]12CCC[C@](C)([C@@H]1CC[C@]13CC(=C)[C@](C1)(CC[C@H]23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
|
| MolPort-003-959-668 |
0.61 |
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 |
|
| MolPort-001-741-793 |
0.61 |
C[C@@H]1O[C@@H](O[C@H]2[C@H](CO)O[C@@H](OC(=O)[C@]34CCC(C)(C)CC3C3=CCC5[C@@]6(C)CC[C@H](OC7OC(CO)C(OC8OCC(O)C(O)C8O)C(O)C7O)C(C)(C)C6CC[C@@]5(C)[C@]3(C)CC4O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O[C@H]1OC[C@](O)(CO)[C@H]1O |
|
| MolPort-016-638-463 |
0.61 |
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]2O |
|
| MolPort-001-903-803 |
0.61 |
CC(C)COCC1CC2(CC(C)C(=O)CC2=O)C(=O)O1 |
|
| MolPort-010-969-190 |
0.61 |
CC1CCC2C(OC(=O)C2=C)C2(C)C(=O)CCC12O |
|
| MolPort-002-532-754 |
0.61 |
C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](C1)(CC[C@@H]23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
|
| MolPort-005-944-725 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)[C@@H]2[C@]1(C)O)C(=O)O[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 |
|
| MolPort-001-739-263 |
0.61 |
CC(C)=C1CC[C@]23CO[C@H](C2)[C@](O)(CCC13)C(O)=O |
|
| MolPort-000-756-644 |
0.61 |
CC(=C)[C@@H]1CCC2(COC(C)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12 |
|
| MolPort-006-123-446 |
0.61 |
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 |
0.61 |
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-002-529-183 |
0.61 |
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-002-535-038 |
0.61 |
C[C@@H]1O[C@H](O[C@@H]2[C@@H](O[C@]34C[C@@]5(CC3=C)CCC3[C@@](C)(CCC[C@@]3(C)C(=O)OC3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)C5CC4)O[C@@H](CO)[C@H](O)[C@H]2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O |
|
| MolPort-001-742-395 |
0.61 |
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 |
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| MolPort-003-666-882 |
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| MolPort-000-766-463 |
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| MolPort-000-762-143 |
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| MolPort-007-980-815 |
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| MolPort-000-775-094 |
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| MolPort-005-944-953 |
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| MolPort-002-527-681 |
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| MolPort-006-668-381 |
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C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2C(OC(=O)C(C)=C)[C@@]2(C)[C@H]1C=CC2=O |
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| MolPort-001-742-454 |
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CC1=CC[C@H](O)[C@@]2(C)C[C@@H](O)[C@@H]3[C@@H](OC(=O)C3=C)[C@H]12 |
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| MolPort-016-638-324 |
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| MolPort-008-268-188 |
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| MolPort-001-739-415 |
0.61 |
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]11CO1 |
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| MolPort-000-713-776 |
0.61 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O |
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| MolPort-002-511-839 |
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| MolPort-001-742-229 |
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| MolPort-000-767-904 |
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| MolPort-039-052-243 |
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C[C@@]12CCC[C@](C)([C@H]1CCC13CC(=C)[C@@](C1)(CC[C@@H]23)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
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| MolPort-038-386-485 |
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| MolPort-046-509-016 |
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| MolPort-020-006-042 |
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| MolPort-039-141-338 |
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CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(C)\CCC=C(C=O)C1OC |
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COC(=O)C1OC23CC(OC(C)=O)C4C(C)(C)CCC[C]4(=C)C2CCC1O3 |
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| MolPort-046-764-603 |
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| MolPort-044-560-419 |
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| MolPort-046-761-982 |
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[K+].C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13CC(=C)[C@@](O)(C1)CC[C@@H]23)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O |
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| MolPort-046-700-855 |
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OC1C(O)C2OC1CC2C(O)=O |
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| MolPort-046-594-354 |
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CC(C)C12OC1C1OC11C3(OC3CC3C4=C(CCC13C)C(=O)OC4)C2=O |
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C1[C@]2(C)[C@]([H])(CC[C@@]34[C@@]2([H])CC[C@@](O[C@@]2(O[C@H](CO)[C@@H](O)[C@H](O[C@@]5([H])[C@H](O)[C@@H](O)[C@H](O)[C@H](O5)CO)[C@H]2O[C@@]2(O[C@@H]([C@H]([C@H](O)[C@H]2O)O)CO)[H])[H])(C(C3)=C)C4)[C@](C)(C(=O)O[C@H]2[C@H](O[C@]3([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@@H](CO)O2)CC1 |
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| MCULE-6763312421 |
0.60 |
[C@]12(C)CC(OC(C)=O)C(C(C)(C)C1CC[C@]1(C)C2CC=C2C1(C)CCC1(CCC(C)(C)CC12)C(OCCC)=O)OC(C)=O |
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| MCULE-6127627611 |
0.60 |
C1C[C@]2([C@@]3(CC[C@]4([C@](C)(CO)[C@@H](O[C@@]5([H])[C@@H]([C@H](O)[C@@H](O[C@]6([C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)[H])CO5)O[C@]5([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)CC[C@]4(C)[C@@]3([H])CC[C@]2([H])[C@@]2([H])[C@H](C(=C)C)CC[C@@]21C(O)=O)[H])C)C |
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| MCULE-9732197309 |
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O=C(O[C@H]1[C@H](O[C@]2([C@H](O)[C@H](O)[C@@H](O[C@]3([C@H](O)[C@@H](O)[C@H](O)CO3)[H])[C@H](C)O2)[H])[C@@H](O)[C@@H](O)CO1)[C@@]12[C@H](O)C[C@]3(C)C(=CC[C@@]4([C@@]5(C)C[C@@H]([C@@H](C(CO)(CO)[C@]5([H])CC[C@]43C)O[C@@]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[H])O)[H])[C@]1([H])CC(C)(C)CC2 |
|
| MCULE-8090417293 |
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O=C([C@@]1(C[C@@H]2[C@@](C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=O)(CC[C@]3([C@@]4(CC[C@@H]5[C@@](C)([C@H]4CC=C32)C[C@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)CO2)[C@]5(CO)C)C)C)CC1)C)OC |
|
| MCULE-8851490495 |
0.60 |
C1CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)OC5C(O)C(O)C(O)C(COC6C(O)C(O)C(OC7C(O)C(O)C(O)C(C)O7)C(CO)O6)O5)CCC4(C)C3(C)CCC2C(C)(C)C1OC1C(O)C(OC2C(O)C(O)C(O)C(CO)O2)C(O)C(C(=O)O)O1 |
|
| MCULE-5798757543 |
0.60 |
O(C1C(O)C(O)C(C(CO)O1)O)C1C(C(C(OC1OC1C(O)C(C(=O)O)OC(OC2C(C)(C)C3CCC4(C)C5(C)CCC6(C(OC7C(O)C(O)C(O)C(CO)O7)=O)CCC(C)(C)CC6C5=CCC4C3(C)CC2)C1O)C)O)O |
|
| MCULE-8456669141 |
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C1(=C2CCC(O[C@@]2(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1)=O)C |
|
| MCULE-6342124164 |
0.60 |
OC1C(O)C(O)C(OC(=O)[C@]23CC[C@@H](C)[C@](O)(C)C2C2[C@@](C)(CC3)[C@]3(C([C@]4(C)C(CC3)[C@@](C)(C(O)=O)[C@@H](O)CC4)CC=2)C)OC1CO |
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| MCULE-9765466642 |
0.60 |
C1(CO)OC(C(C(C1O)O)O)OC(=O)C12CCC(C)C(O)(C)C1C1C(C)(CC2)C2(C(C3(C)C(CC2)C(C(=O)O)(C)C(O)C(O)C3)CC=1)C |
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| MCULE-8630906520 |
0.60 |
C1C[C@]2(C)C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(O[C@H]5[C@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@H](O)[C@@H](CO[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@H](O)[C@@H](CO)O6)O5)=O)CC[C@@]4(C)[C@]3(C)CCC2[C@@](C(O)=O)(C)[C@H]1O |
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| MCULE-5489837268 |
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C1C[C@]2(C)C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)O5)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)CO2)[C@H](O)[C@@H](C(O)=O)O1 |
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| MCULE-9287937155 |
0.60 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@](C(=O)OC)(C)CC[C@]5(C(=O)O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)CO1 |
|
| MCULE-5879511087 |
0.60 |
O(C1OC(C(=O)O)C(O)C(OC2OC(C)C(O)C(OC3OC(CO)C(O)C(OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)C3O)C2O)C1O)C1C(C2CCC3(C(C2(CC1)C)CC=C1C2CC(C)(C)CCC2(C(O)CC31C)C(OC1OCC(O)C(O)C1O)=O)C)(CO)C |
|
| MCULE-4746215012 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O5)=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(O)=O)[C@H]1O |
|
| MCULE-9760392212 |
0.60 |
OC1C(C(O)C(OC2C(COC3OC(C)C(OC4OC(C(C(O)C4O)O)C)C(O)C3O)OC(OC3C(C4CCC5(C(C4(CC3)C)CC=C3C4CC(C)(C)CCC4(C(OC4OC(CO)C(O)C(O)C4O)=O)CCC53C)C)(CO)C)C2O)OC1CO)O |
|
| MCULE-5384412239 |
0.60 |
C1C[C@]2(C)C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)O5)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O[C@H]1[C@H](O)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)CO2)[C@H](O)[C@@H](C(O)=O)O1 |
|
| MCULE-4974290841 |
0.60 |
C1C(O)C(C(C(OC2C(O)C(OC3C(O)C(O)C(OC(=O)C45CCC(C)(C)CC4C4C(C)(CC5O)C5(C)C(CC=4)C4(C)C(CC5)C(C)(C)C(OC5C(O)C(O)C(O)C(COC6OC(C)C(O)C(O)C6OC6OCC(O)C(O)C6O)O5)CC4)OC3COC3OCC(C(O)C3O)O)OCC2O)O1)O)O |
|
| MCULE-3481914833 |
0.60 |
CC(=O)OCCCC1[C@@H](C)[C@@H](O)[C@@]2(C(C(=O)O[C@]2([H])CC=1C)=C)[H] |
|
| MCULE-4824233854 |
0.60 |
C1(O)C=CC(O)CCC(=O)OC(C1O)CCCCCCC |
|
| MCULE-3712584936 |
0.60 |
C12C(CC(=C(CCCOC(C)=O)C(C)C1O)C)OC(=O)C2=C |
|
| MCULE-2291866392 |
0.60 |
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 |
|
| MCULE-9171564730 |
0.60 |
[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-5555950993 |
0.60 |
C12C(C(O)C(O)C3(O)CC(C(O)(C)C)OC31)(C/C=C(\C)/CO)O2 |
|
| MCULE-9196010352 |
0.60 |
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-1906795397 |
0.60 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21[H])=O)OC(C)=O |
|
| MCULE-9654942913 |
0.60 |
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-7055938722 |
0.60 |
O=C1C23C4CCC5(C)C(C6COC(C=6)=O)CCC5(C4(CCC2(O)CC(O)CC3)O1)[H] |
|
| MCULE-2740109652 |
0.60 |
[C@@H]1(CC(C[C@@H]1C(OCC)=O)=C)C(OCC)=O |
|
| MCULE-7272694532 |
0.60 |
CC(CC1(C(O)=O)C(C)(C)OCC1)=C |
|
| MCULE-4562315733 |
0.60 |
[C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2[C@]1(C)CCC(OC(CCC(=O)[O-])=O)C2(C)C)COC(CCC(=O)[O-])=O.[Na+].[Na+] |
|
| MCULE-9764078886 |
0.60 |
C(O)(C(=O)O[C@H]1C[C@H](C)CC[C@H]1C(C)C)C(O)C(=O)O[C@H]1C[C@H](C)CC[C@H]1C(C)C |
|
| MCULE-2646305289 |
0.60 |
C(O)(C(=O)OC1CC(C)CCC1C(C)C)C(O)C(=O)OC1CC(C)CCC1C(C)C |
|
| MolPort-002-512-334 |
0.60 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1=C |
|
| MCULE-2525840784 |
0.60 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CC3C2(C1)O3)C(C)=O)OC(C)=O |
|
| MolPort-003-940-331 |
0.60 |
CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](O)C2(C)C11CO1 |
|
| MCULE-4315952576 |
0.60 |
[C@]12(CC[C@@](CC(=O)O)(C)O1)[C@]1(C)O[C@@H]1CC1[C@@]2(CCCC1(C)C)C |
|
| MolPort-003-983-809 |
0.60 |
CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C\C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |
|
| MCULE-2210122863 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(C2(O)C1)OC(C)=O)C(C)=O |
|
| MolPort-003-959-790 |
0.60 |
CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |
|
| MCULE-1774929494 |
0.60 |
[C@@H]1(C(O)=O)C[C@H]2O[C@@H]1C[C@@H]2O |
|
| MolPort-006-668-253 |
0.60 |
CCCCC[C@@H](O)[C@@H]1[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](O)[C@H](O)\C(C)=C\C=C\C=C\C=C\C=C\[C@H](O)[C@@H](C)OC1=O |
|
| MCULE-4357444587 |
0.60 |
C12(CCC(C(=O)O1)(C)C2(C)C)C(=O)OC1CCCCC1 |
|
| MolPort-000-776-376 |
0.60 |
CCCOC(=O)C12CCC(C)(C)CC1C1=CCC3[C@@]4(C)CC(OC(C)=O)C(OC(C)=O)C(C)(C)C4CC[C@@]3(C)C1(C)CC2 |
|
| MCULE-1059549744 |
0.60 |
[C@@]12(C)OC(=O)C34O[C@@]5([C@@H]1O)[C@@](CC[C@]1(C5=C)C=CC(=O)OC1(C)C)(C)[C@@]3(C(=O)O[C@@H]4C)C2=C |
|
| MolPort-003-939-089 |
0.60 |
CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |
|
| MCULE-9490347119 |
0.60 |
C12(C(C34C(C5(C1=C)C(=O)OC(C)C5(O3)C(=O)O2)(C(O)CC1(C4=C)C=CC(=O)OC1(C)C)C)OC(=O)C)C |
|
| MolPort-001-740-739 |
0.60 |
CCCCCCCC(=O)OC1C(OC(=O)C(\C)=C\C)C(C)=C2C3OC(=O)C(C)(O)C3(O)C(CC(C)(OC(C)=O)C12)OC(=O)CCC |
|
| MCULE-6758104973 |
0.60 |
[C@]12(C)C[C@H](O)[C@H]3[C@@](C)(CO)[C@]1([H])CC[C@]1(C)[C@]2([H])CC=C2[C@@]1(C)CC[C@]1(CCC(C)(C)C[C@]12[H])C(=O)O[C@@H]1OC[C@@H]([C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H]([C@@H](O[C@@H]2OC[C@H]([C@H](O)[C@H]2O)O)[C@H]1O)OC(=O)C[C@@](C)(O)CC(=O)O[C@@H]1[C@H](O)[C@@H](O)[C@@H](OC1)O[C@@H]1[C@H]([C@H](O)[C@@H](CO)O[C@H]1O3)O)O |
|
| MolPort-006-827-789 |
0.60 |
CCOC(=O)C12CC1C1(CCCCC1)OC2=O |
|
| MCULE-8470247679 |
0.60 |
OC1CC2(C3(CCC4C(C5OC6OC(CO)C(O)C(O)C6OC6OCC(OC(=O)CC(O)(C)CC(=O)OC7C(C)OC(C(C7OC7OCC(O)C(O)C7O)O)OC7C(C(O)COC7OC(=O)C71CCC(C)(C)CC7C2=CCC3C4(CC5O)C)O)C(O)C6O)(C)CO)C)C |
|
| MolPort-002-527-463 |
0.60 |
C[C@H]1[C@@H]2CC[C@](C)(O)C3[C@H]4[C@H]5[C@H](O)[C@@]6(C)O[C@@]7(C)CC[C@H]8[C@H](C)C(=O)O[C@@H]8C6([C@H]4C(C)=C3[C@H]2OC1=O)C57 |
|
| MCULE-4126816678 |
0.60 |
O[C@H]1[C@H](O[C@@H]2[C@H]3OC(C[C@](CC(O[C@@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O[C@@H]6[C@](CO)(C)[C@@H]7CC[C@@]8([C@@H]([C@@]7(C)C[C@@H]6O)CC=C6[C@]8(C[C@H]([C@]7(C(O[C@H]8[C@H](O[C@H](O[C@H]3C)[C@@H]2O)[C@H](O)[C@@H](O)CO8)=O)[C@H]6CC(C)(C)CC7)O)C)C)O[C@H](CO)[C@@H](O)[C@@H]5O)OC4)=O)(O)C)=O)OC[C@@H](O)[C@@H]1O |
|
| MolPort-002-515-454 |
0.60 |
CC1(OCCO1)C1CCC2C3CCC4CC5(CC[C@]4(C)C3C3CC12C(=O)O3)OCCO5 |
|
| MCULE-3419985159 |
0.60 |
O[C@@H]1[C@@H]([C@@H]2[C@H](O[C@H]3[C@H](O[C@@H]4[C@@]([C@]5([C@]([C@]6(CC=C7[C@]8([C@](CC[C@@]7(C)[C@]6(C)CC5)(C(=O)O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@H]5[C@@H]([C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](C)O5)O)CCC(C)(C)C8)[H])[H])(C)C[C@@H]4O)[H])(C)COC(=O)C[C@](C)(O)CC(=O)O2)O[C@H](CO)[C@@H](O)[C@@H]3O)OC1)O |
|
| MolPort-001-741-834 |
0.60 |
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](CO)O[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@@](C)(CO)C5[C@H](O)C[C@@]4(C)[C@]2(C)C[C@H]3O)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O[C@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O |
|
| MCULE-1918192580 |
0.60 |
C12(C)CC(O)C3C(C)(CO)C1CCC1(C)C2CC=C2C1(C)CCC1(CCC(C)(C)CC12)C(=O)OC1OCC(C(O)C1OC1OC(C)C(C(OC2OCC(C(O)C2O)O)C1O)OC(=O)CC(C)(O)CC(=O)OC1C(O)C(O)C(OC1)OC1C(C(O)C(CO)OC1O3)O)O |
|
| MolPort-003-665-586 |
0.60 |
CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |
|
| MCULE-2245494886 |
0.60 |
O[C@@H]1[C@@H]([C@@H]2[C@H](O[C@H]3[C@H](O[C@@H]4[C@@]([C@]5([C@]([C@]6(CC=C7[C@]8([C@](CC[C@@]7(C)[C@]6(C)CC5)(C(=O)O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@H]5[C@@H]([C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](C)O5)O)CCC(C)(C)C8)[H])[H])(C)C[C@@H]4O)[H])(C)COC(=O)C[C@](C)(O)CC(=O)O2)O[C@H](CO)[C@@H](O)[C@@H]3O)OC1)O |
|
| MolPort-001-742-223 |
0.60 |
CC1OC(O[C@H]2[C@@H](O)C[C@]3(C)C4CC=C5C6CC(C)(C)CC[C@@]6(CC[C@@]5(C)[C@]4(C)C[C@@H](O)C3[C@]2(C)CO)C(=O)OC2OC(CO)C(O)C(O)C2OC2OCC(OC3OCC(OC4OCC(O)C(O)C4O)C(O)C3O)C(OC3OCC(O)(CO)C3O)C2O)C(O)C(O)C1O |
|
| MCULE-3357155417 |
0.60 |
CC1(CC[C@@]23C(C[C@]4([C@@]5(CC[C@H]6[C@@](CO)(C)[C@@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C[C@@](CC(O[C@H]9[C@H](C)O[C@@H](O[C@@H]%10[C@@H](O)[C@@H](O)CO[C@H]%10OC2=O)[C@H](O)[C@@H]9O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)=O)(O)C)=O)O8)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)C[C@]6(C)[C@H]5CC=C4[C@@H]3C1)C)C)O)C |
|
| MolPort-001-741-926 |
0.60 |
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@H]2OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CCC4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)C5[C@H](O)C[C@@]4(C)[C@]2(C)CC3)[C@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H]1O |
|
| MCULE-4145126779 |
0.60 |
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 |
|
| MolPort-001-741-054 |
0.60 |
CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C)C5CCC34C)C2C1O)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
|
| MCULE-7443508460 |
0.60 |
O[C@@H]1[C@@H](CO)O[C@H]2O[C@H]3[C@@H](O)C[C@]4(C)[C@H]5CC=C6[C@@H]7CC(CC[C@]7(C(=O)O[C@H]7[C@H](O[C@H]8[C@H](O)[C@H](O[C@@H]9[C@@H](O)[C@H](O)[C@@H](O)CO9)[C@@H](OC(=O)C[C@](C)(CC(=O)O[C@@H]9[C@@H](O)[C@@H](O)CO[C@H]9O[C@@H]2[C@H]1O)O)[C@H](C)O8)[C@@H](O)[C@@H](O)CO7)CC[C@@]6(C)[C@]5(C)CC[C@H]4[C@@]3(CO)C)(C)C |
|
| MolPort-009-194-219 |
0.60 |
O.O.[Ca++].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O.C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O |
|
| MCULE-8915462989 |
0.60 |
C1CC2C3(C)C(=O)CC4(C)C(C(O)(C/C=C/C(=C)C)C)CCC4(C)C3CC=C2C(C)(C)C1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](O)[C@H](O)[C@@H](COC(=O)CC(O)(C)CC(=O)O)O1 |
|
| MolPort-006-823-624 |
0.60 |
CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C\CCCCCCCC |
|
| MCULE-7264992526 |
0.60 |
C12OC1C1(C)C34OC(C=C3C3CCC(C(/C=C/C(C)C(C)C(=O)O)C)C3(CO)CC4)C1(O)C1OC21 |
|
| MolPort-001-742-564 |
0.60 |
CCCCCCCCCCCCCCCCC1C(OC)C(C)OC1=O |
|
| MCULE-7361304189 |
0.60 |
[C@]123CC=C(C)[C@]1([H])[C@@H]1[C@@H](CC[C@@]2(O3)C)C(C(=O)O1)=C |
|
| MolPort-006-126-977 |
0.60 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@H]1C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O |
|
| MCULE-2972497233 |
0.60 |
C1CC2(C)C3C(=O)CC4(C)C(C5(CO)OC(=O)CC5)CC(O)C4(C)C=3C(O)CC2C(C)(C)C1=O |
|
| MolPort-001-740-371 |
0.60 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
|
| MCULE-4340391803 |
0.60 |
CC1[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]3(C)O[C@]23CC=1 |
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CC1CCC=C2C[C@@H]3OC(=O)C(=C)[C@@H]3C(O)[C@]12C |
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| MolPort-003-925-153 |
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CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO)OC(C)=O |
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C1(=O)OC(C2C3CCC(C(OCC)=O)(C=C3)C12)=O |
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CC12CC[C@@H]3[C@H](OC(=O)C3(C)C)C(=C)CCC1O2 |
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[C@]1(C)(CCC(=O)O)C2C[C@@H](O)[C@]3([H])[C@@]([H])([C@@](O[C@H]4[C@H](O)[C@@H](O)[C@H](COC(=O)C)O4)(CCC(OO)C(=C)C)C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(=C)C |
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COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)C=C(C)C)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O |
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CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)C12)OC(=O)CCC |
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CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)C[C@@]2(C)[C@]11CO1 |
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C[C@H]1[C@@H](O)C[C@H]2[C@@H]1COC(=O)[C@H]2CO |
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CC1CC(=O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C12 |
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CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)C(O)C(O)C(O)CO |
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C1(=O)OC(C(OC)C1CCCCCCCCCCCCCCCC)C |
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C12(CC(OC1=O)=O)CCC(=C)C2(C)C |
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C12OC1(C1OC1C1(O)CC(C(O)(C)C)OC12)C/C=C(\C)/CO |
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| MCULE-5370791290 |
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CC1OC(=O)C(OC(CC23CC4CC(C2)(CC(C4)C3)O)=O)C1 |
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| MCULE-1229465412 |
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CC1C2(OC(=O)CC2)COC1 |
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| MCULE-9996588512 |
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| MCULE-6855191575 |
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| MCULE-8738789658 |
0.60 |
[C@]12(OC(=O)CCC)C(C)(C)[C@H]1[C@]1([H])C=C(CO)C[C@]3(O)C(C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@H]2OC(=O)CCC)=O |
|
| MCULE-1325545503 |
0.60 |
[C@]12([H])[C@@]3(O)[C@H](C)[C@@H](OC(CCCCCCCCCCCCC)=O)[C@@]4(OC(=O)C)C(C)(C)[C@H]4[C@]3([H])C=C(CO)C[C@]1(O)C(=O)C(C)=C2 |
|
| MCULE-3192845978 |
0.60 |
CCC1OCC(C(C(O)=O)(C)C)(O)C1 |
|
| MCULE-7799687476 |
0.60 |
CCC(C1(C(C)C(C)OC1)O)C(O)=O |
|
| MCULE-7924239664 |
0.60 |
CC1([C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)CO2)CC[C@@]2(C)[C@H]1CC[C@]1([C@@]3(C)[C@@H]([C@@H]4[C@@](C(=O)O)(CC3)CC[C@H]4C(=C)C)CC[C@@H]12)C)C |
|
| MCULE-3535673332 |
0.60 |
C1C[C@@]2(C)[C@]3([H])CC[C@@]4(O[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@H](O)[C@@H](CO)O5)C(=C)CC3(C4)CC[C@]2([H])[C@](C)(C(O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=O)C1 |
|
| MCULE-4276889182 |
0.60 |
[C@]12([H])[C@H](OC(=O)CCCCCCC)[C@@H](OC(=O)C(C)=CC)C(C)=C1[C@]1([H])OC(=O)[C@](O)(C)[C@]1([C@@H](OC(=O)CCC)C[C@]2(C)OC(=O)C)O |
|
| MCULE-3051643530 |
0.60 |
CC(C(C1(C(C)C(C)OC1)O)C(O)=O)C |
|
| MCULE-4400180581 |
0.60 |
COC(C(C1(C(C)C(C)OC1)O)C)=O |
|
| MCULE-1776498852 |
0.60 |
CCC1OCC(CC(O)=O)(O)C1 |
|
| MCULE-6517626137 |
0.60 |
O(C(=O)/C(=C/C)/C)C1C(C)=C2C3OC(C(C3(O)C(CC(C2C1OC(CCCCC)=O)(OC(C)=O)C)OC(=O)CCC)(C)O)=O |
|
| MCULE-3516873778 |
0.60 |
CCC1OCC(C(C(O)=O)C)(O)C1 |
|
| MCULE-2698051262 |
0.60 |
C123CC(OC1=O)C1C(CCC4CC5(OCCO5)CC[C@]14C)C2CCC3C1(C)OCCO1 |
|
| MCULE-3806067009 |
0.60 |
[C@H]1(OC(=O)CCC)C[C@](C)(OC(=O)C)[C@@]2([H])[C@H](OC(CCCCCCC)=O)[C@@H](OC(=O)/C(/C)=C\C)C(C)=C2[C@@H]2OC(=O)[C@](O)(C)[C@@]12O |
|
| MCULE-7304039848 |
0.60 |
C1C[C@]2(C)C[C@@]3([H])OC(=O)C(=C)[C@@]3([H])C[C@@]2([H])C(=C)C1 |
|
| MCULE-7472025598 |
0.60 |
C12(C(CCOC)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)OC(C)=O |
|
| MCULE-3144399505 |
0.60 |
[C@]12([H])C[C@H](O)[C@H](C)[C@@]1([H])COC(=O)[C@H]2CO |
|
| MCULE-1444566715 |
0.60 |
C1([C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C2C(C)C1)=O |
|
| MCULE-1371380529 |
0.60 |
CC(C1OCC(CC(O)=O)(O)C1)C |
|
| MCULE-2745275424 |
0.60 |
C123[C@@H]4[C@@H](CC[C@@]5(O[C@]1(C)[C@H]([C@@]([C@]1([H])C6C([C@@H]7[C@@H](CC[C@]6(C)O)[C@@H](C(=O)O7)C)=C(C)[C@]21[H])([H])C35)O)C)[C@@H](C(=O)O4)C |
|
| MCULE-4613990318 |
0.60 |
O=C1CCC2(C)C3C(CC4(C)C(O)(CCC4C3CCC2=C1)C(COC(C)=O)([H])OC(C)=O)=O |
|
| MCULE-3613041486 |
0.60 |
CC(C1OCC(C(C(O)=O)(C)C)(O)C1)C |
|
| MCULE-5275177846 |
0.60 |
C12([H])C(C)(OC(=O)C)CC(OC(=O)CCC)C3(O)C(C(=O)OC3([H])C1=C(C(OC(=O)C(C)=CC)C2OC(=O)CCCCCCC)C)(O)C |
|
| MCULE-5911233463 |
0.60 |
CC(C1OCC(C(C(O)=O)C)(O)C1)C |
|
| MCULE-5731491995 |
0.60 |
[C@]12([H])C[C@H](O)[C@H](C)[C@@]1([H])COC(=O)[C@@H]2CO |
|
| MCULE-9875985617 |
0.60 |
C[C@@]12[C@]3(COC(=O)C)[C@](C=C(CC3)C)([H])O[C@@H]([C@@]31OC3)[C@H](O)C2O |
|
| MCULE-9641361394 |
0.60 |
[C@@H]12OC(=O)[C@](O)(C)[C@@]1(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@@]1([H])[C@H](OC(CCCCCCC)=O)[C@@H](OC(=O)C(C)=CC)C(C)=C12 |
|
| MCULE-7890675494 |
0.60 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@H](C(O)(C)C)O4)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C |
|
| MCULE-2320795536 |
0.60 |
C1(CC)(C(OC)=O)OC21CCOC(C)C2 |
|
| MCULE-4975782961 |
0.60 |
C1(CC)(C(OC)=O)C2(O1)CCCOCC2 |
|
| MCULE-1524421815 |
0.60 |
C12(C(OCC)=O)CC1C1(OC2=O)CCCCC1 |
|
| MCULE-6585485753 |
0.60 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@@H](C(O)(C)C)O4)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C |
|
| MCULE-1245334026 |
0.60 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@@]3([C@@]([H])([C@@]4(CCC(=O)O4)C)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C)[H] |
|
| MCULE-4566201442 |
0.60 |
C(C)(=O)OC1CCC23C4CCC5(C)C(CCC5(C4(CCC2(O)C1)OC3=O)[H])C(COC(C)=O)=O |
|
| MCULE-1298920669 |
0.60 |
C1(=O)OC2C(CC3(C(C)(CCCC3=C)C2)[H])C1=C |
|
| MCULE-9134508230 |
0.60 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CC5C4(C3CCC2(C1)[H])O5)C(OC)=O)OC(C)=O |
|
| MCULE-8316292329 |
0.60 |
C1(=O)O[C@H]2[C@H](C[C@@]3([C@](C)(CCCC3=C)C2)[H])C1=C |
|
