| MCULE-8771172896 |
0.83 |
C1CC2(C)C3C(=O)OCC=3CC(O)C2C(C)(C)C1OC(=O)/C(/C)=C\C
|
|
| MolPort-029-943-072 |
0.83 |
C\C=C(\C)C(=O)OC1CCC2(C)C(C(O)CC3=C2C(=O)OC3)C1(C)C
|
|
| MolPort-001-742-311 |
0.82 |
C\C1=C/CC\C(=C\CC\C(C)=C\C2OC(=O)C(=C)C2CC1)C(O)=O
|
|
| MCULE-3320650867 |
0.82 |
C1(CCC=C(C)CCC2C(C=C(CCC=1)C)OC(=O)C2=C)C(=O)O
|
|
| MCULE-1414577822 |
0.82 |
C12=CC(OC1=O)CC(C)=CC1OC(=O)C(=C)C1CCC(C)=CCC2
|
|
| MolPort-001-740-438 |
0.82 |
C\C1=C/CCC2=CC(C\C(C)=C\C3OC(=O)C(=C)C3CC1)OC2=O
|
|
| MolPort-001-742-457 |
0.81 |
OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C=O)=C/CC1
|
|
| MolPort-001-742-458 |
0.81 |
OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C\C(C=O)=C/CC1
|
|
| MolPort-039-338-228 |
0.81 |
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@@H]2OC1=O
|
|
| MolPort-044-723-304 |
0.81 |
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@H]2OC1=O
|
|
| MCULE-8617095272 |
0.81 |
C1(=O)O[C@H]2[C@@H]([C@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-6232978473 |
0.81 |
C1(=O)O[C@H]2[C@@H]([C@@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-7505841337 |
0.81 |
C1(=O)O[C@H]2[C@@H](CCC(=C)[C@@H](CCC(C)=C2)O)C1=C
|
|
| MolPort-005-944-608 |
0.80 |
CC(=O)OC1CC2C(C=C1C)C(C(CC2(C)O)OC(=O)C(\CO)=C\CO)C(=C)C(O)=O
|
|
| MolPort-001-740-663 |
0.80 |
CC1CC(O)C2C(OC(=O)C2=C)C2=C(C)C(=O)CC12
|
|
| MolPort-046-697-193 |
0.80 |
CC(=O)OC1CC2=C(COC2=O)C2(C)CCCC3(COC3=O)C12
|
|
| MCULE-6426429596 |
0.80 |
O(C(C)=O)C1CC2C(=O)OCC=2C2(C)C1C1(COC1=O)CCC2
|
|
| MCULE-2969817322 |
0.80 |
C1=C2C(O[C@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C2)=O
|
|
| MCULE-7379430730 |
0.80 |
C1=C2C(O[C@@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C2)=O
|
|
| MCULE-9380832184 |
0.80 |
C12C(=O)OC(CC(=C[C@H]3OC(=O)C(=C)[C@@H]3[C@@H](OC(=O)/C(=C\C)/C)C1)C)C=2
|
|
| MCULE-2804901759 |
0.80 |
C1=C2C(O[C@@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)C)C2)=O
|
|
| MCULE-1234424378 |
0.80 |
C1=C2C(O[C@H]1CC(C)=C[C@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)C(=C)C)C2)=O
|
|
| MCULE-5187157844 |
0.80 |
C1(=O)O[C@H]2[C@@H]([C@H](CC3=CC(CC(C)=C2)OC3=O)OC(=O)C(C)=C)C1=C
|
|
| MCULE-3037222806 |
0.80 |
C1=C(C(=O)O)C[C@@H](OC(=O)/C(=C\C)/C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-1089229934 |
0.80 |
C/C=C(/C(O[C@H]1[C@H]2C(C(O[C@@H]2C=C(C)[C@@H](O)C[C@H]2O[C@]2(C)C1)=O)=C)=O)\C
|
|
| MolPort-039-052-716 |
0.80 |
CC(=C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-001-742-567 |
0.80 |
CC(=C)C(=O)O[C@H]1CC2=CC(C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-046-690-262 |
0.80 |
C[C@H]1[C@@H]2CC[C@@]3(C)[C@@H]([C@H](O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-046-762-702 |
0.80 |
C[C@@H]1[C@H]2CC[C@]3(C)[C@@H]([C@@H](O)C[C@@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-019-937-184 |
0.80 |
CC(C)CC(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-338-296 |
0.80 |
C\C=C(\C)C(=O)O[C@H]1CC2=C[C@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-005-945-451 |
0.80 |
C\C=C(\C)C(=O)O[C@H]1CC2=CC(C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-019-937-557 |
0.80 |
CCC(C)C(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-019-937-555 |
0.80 |
CC(C)CC(=O)OC1CC(C=O)=CCC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-338-309 |
0.80 |
CC(=C)C(=O)O[C@H]1CC2=C[C@@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-039-052-707 |
0.80 |
C\C=C(\C)C(=O)O[C@H]1CC2=C[C@@H](C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
|
|
| MolPort-039-052-722 |
0.80 |
C\C=C(\C)C(=O)O[C@@H]1C\C(=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12)C(O)=O
|
|
| MolPort-001-740-398 |
0.79 |
CC1[C@@H]2CC\C(=C\CC\C(C)=C\[C@H]2OC1=O)C(O)=O
|
|
| MolPort-028-600-130 |
0.79 |
C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3[C@H]4[C@H]5C=C(C)[C@@]6([C@H]7OC(=O)[C@@H](C)[C@@H]7CC[C@](C)(O)[C@H]56)[C@H]4C(C)=C3[C@H]2OC1=O
|
|
| MolPort-039-338-370 |
0.79 |
CC1=C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@H]1CC[C@]2(C)O
|
|
| MCULE-5499634167 |
0.79 |
CC1C(=O)OC2C1CCC(O)(C)C1C2=C(C)C2C1C1C3C(O)(C)CCC4C(C)C(=O)OC4C23C(C)=C1
|
|
| MCULE-5708067201 |
0.79 |
C1[C@@](O)(C)[C@]2([H])[C@@]3([H])[C@H]4C=C(C)[C@@]5([C@H]6OC(=O)[C@@H](C)[C@@H]6CC[C@](C)(O)[C@@]54[H])[C@@]3([H])C(C)=C2[C@H]2OC(=O)[C@@H](C)[C@@H]2C1
|
|
| MCULE-4668660484 |
0.79 |
C/C(=C\CCC(=C1[C@@]2([H])[C@]([C@@]3([C@]([C@@H](C2)O)([H])[C@]2(C)[C@@]([C@@H]([C@@H](CC2)O)C)([H])CC3)C)(C)C[C@@H]1OC(=O)C)C(=O)O)/C
|
|
| MCULE-3762190089 |
0.79 |
C1(=O)O[C@H]2[C@@H](CCC(CO)=CCCC(COC(C)=O)=C2)C1=C
|
|
| MCULE-4654267035 |
0.79 |
C12(C)CC(C(=C(CC/C=C(\C)/C)C(O)=O)C1CC(C1C2(C)CCC2C1(C)CCC(O)C2C)O)OC(C)=O
|
|
| MCULE-1659372694 |
0.79 |
[C@]12(C)CC[C@@]3([H])[C@H](C)[C@@H](CC[C@]3(C)[C@]1([H])[C@H](O)C[C@@]1([H])C([C@@H](OC(=O)C)C[C@]21C)=C(C(=O)O)CC/C=C(/C)\C)O
|
|
| MCULE-8921610933 |
0.79 |
[C@]12(C)CC[C@@]3([H])[C@H](C)[C@@H](CC[C@]3(C)[C@]1([H])[C@@H](C[C@@]1([H])/C(/[C@@H](OC(=O)C)C[C@]21C)=C(/C(=O)O)\CC/C=C(/C)\C)O)O
|
|
| MCULE-7949052065 |
0.79 |
C1([C@H]2[C@@]3(C(CC(C)(C)C3)C=1)C(=C)C(=O)OC2)C(O)=O
|
|
| MolPort-006-668-351 |
0.79 |
CC1=C2C3OC(=O)C(=C)C3C(O)CC2(C)CCC1
|
|
| MolPort-038-942-576 |
0.79 |
C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)[C@@H]2[C@H](O)C[C@@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O
|
|
| MolPort-046-792-816 |
0.79 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC(O)C(C)(C)O)C(O)=O
|
|
| MolPort-001-934-122 |
0.79 |
CC1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-046-764-551 |
0.79 |
[2H]C([2H])([2H])C(=CCC\C(C(O)=O)=C1/[C@H](C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@]21C)OC(C)=O)C([2H])([2H])[2H]
|
|
| MolPort-001-742-456 |
0.79 |
CC(=O)OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CC\C(CO)=C\CC1
|
|
| MolPort-044-723-717 |
0.79 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2C([C@H](C[C@]12C)OC(C)=O)=C(CCC=C(C)C)C(O)=O
|
|
| MolPort-002-964-476 |
0.79 |
CC1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C([O-])=O
|
|
| MolPort-006-117-806 |
0.79 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O
|
|
| MolPort-019-931-768 |
0.79 |
CC1(C)CC2C=C([C@@H]3COC(=O)C(=C)[C@]23C1)C(O)=O
|
|
| MolPort-046-701-494 |
0.78 |
CC1=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-002-524-221 |
0.78 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-009-758-696 |
0.78 |
C\C1=C\CC\C(C)=C/[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-044-561-229 |
0.78 |
C\C1=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-016-633-200 |
0.78 |
CC1=CCC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-005-944-045 |
0.78 |
C[C@H]1[C@@H]2[C@H](O)C(=O)[C@@]3(C)[C@@H](CC[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O)[C@@]2(C)C=CC1=O
|
|
| MolPort-029-942-969 |
0.78 |
CC(=O)OC1CCC(=C)C2CC3=C(C)C(=O)OC3CC12C
|
|
| MolPort-021-804-724 |
0.78 |
C\C1=C/C(O)C2C(CC(=C)C(O)CC1)OC(=O)C2=C
|
|
| MolPort-001-740-257 |
0.78 |
CC(C)C(=O)O[C@@H]1C[C@@](C)(O)\C=C\C(=O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MCULE-2058016705 |
0.78 |
C1(=O)O[C@H]2[C@@H](CCC(C)=CCCC(C)=C2)C1=C
|
|
| MCULE-9301632354 |
0.78 |
C1(=O)O[C@]2([C@@]([H])(CCC(C)=CCCC(C)=C2)C1=C)[H]
|
|
| MCULE-2094560228 |
0.78 |
C1=C[C@]2(C)[C@]3([H])CC[C@@]4([H])/C(=C(\C(O)=O)/CC/C=C(\C)/C)/[C@H](C[C@]4(C)[C@]3(C([C@@H](O)[C@@]2([H])[C@H](C)C1=O)=O)C)OC(=O)C
|
|
| MCULE-2286713902 |
0.78 |
C1C(OC(C)=O)C2(C(CC3C(OC(=O)C=3C)C2)C(=C)C1)C
|
|
| MCULE-3423268424 |
0.78 |
C1CC(C)=CC(O)C2C(=C)C(=O)OC2CC(=C)C1O
|
|
| MCULE-3449742522 |
0.78 |
C1C(=O)C(C)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)C)C[C@](O)(C)C=1
|
|
| MCULE-9055590032 |
0.78 |
[Na+].[C@]12(C)C[C@@H](C(=C(CC/C=C(/C)\C)C(=O)[O-])[C@]1([H])C[C@H]([C@]1([H])[C@]2(C)CC[C@@]2([C@]1(C)CC[C@@H](O)[C@H]2C)[H])O)OC(C)=O
|
|
| MCULE-6831179748 |
0.78 |
[Na+].[C@]12(C)CC[C@@]3([H])[C@H](C)[C@H](O)CC[C@]3(C)[C@]1([H])[C@@H](C[C@@]1([H])C([C@@H](OC(=O)C)C[C@]21C)=C(C(=O)[O-])CC/C=C(/C)\C)O
|
|
| MCULE-3709898565 |
0.78 |
C1C=C(C)CC(OC(=O)/C(/C)=C/CO)C2C(=C)C(=O)OC2C=C(CO)C1
|
|
| MCULE-9599862192 |
0.78 |
[Na+].C12(C)CC(C(=C(CC/C=C(/C)\C)C(=O)[O-])C1CC(C1C2(C)CCC2C1(C)CCC(O)C2C)O)OC(C)=O
|
|
| MCULE-8381855401 |
0.78 |
O[C@@H]1C[C@H]2/C(/[C@H](C[C@]2(C)[C@@]2(C)CC[C@H]3[C@H](C)[C@H](O)CC[C@]3(C)[C@H]12)OC(C)=O)=C(/C([O-])=O)\CC/C=C(/C)\C.[Na+]
|
|
| MCULE-6799888455 |
0.78 |
C1C=C(C)CC2OC(=O)C(C)=C2CC(=O)C(C)C1
|
|
| MCULE-1159348886 |
0.78 |
C1=C(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MolPort-003-938-775 |
0.78 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
|
|
| MolPort-023-333-208 |
0.78 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)C2[C@H](O)C[C@@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
|
|
| MolPort-002-524-580 |
0.78 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)C1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(/CCC=C(C)C)C([O-])=O
|
|
| MolPort-039-052-392 |
0.78 |
C\C(=C/CO)C(=O)O[C@H]1C\C(C)=C/C[C@H](O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-042-675-367 |
0.78 |
C\C(=C/CO)C(=O)OC1C\C(C)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-000-707-568 |
0.78 |
[Na+].C[C@@H]1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C([O-])=O
|
|
| MolPort-044-723-790 |
0.78 |
[Na+].C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2C([C@H](C[C@]12C)OC(C)=O)=C(CCC=C(C)C)C([O-])=O
|
|
| MolPort-021-804-785 |
0.78 |
CC1CC\C=C(C)\CC2OC(=O)C(C)=C2CC1=O
|
|
| MolPort-021-804-824 |
0.78 |
C\C1=C/C2OC(=O)C(=C)C2C(O)C\C(CO)=C\CC1
|
|
| MolPort-039-338-614 |
0.78 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1
|
|
| MolPort-046-158-474 |
0.78 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C1
|
|
| MolPort-019-937-554 |
0.77 |
CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(CO)\CCC=C(C=O)C1O
|
|
| MolPort-000-770-776 |
0.77 |
C\C=C(/C)C(=O)O[C@@H]1C=CC(=C)C2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]12C
|
|
| MCULE-3501875786 |
0.77 |
[C@@H]12[C@@H](CC[C@]3(C)[C@@H](C=CC(=C)C31)OC(=O)C(C)=CC)[C@H](C(=O)O2)C
|
|
| MCULE-4569544045 |
0.77 |
C12(O)CCC(C1(C)CC[C@]1([H])C(CCC(O)CC(=O)CC[C@@]21[H])=O)C1COC(=O)C=1
|
|
| MCULE-2930807712 |
0.77 |
C1[C@H](OC(=O)C)C(C)=C[C@@]2([H])OC(=O)C([C@]2([H])[C@H](OC(/C(/C)=C/CO)=O)CC(COC(=O)C)=C1)=C
|
|
| MCULE-7618445658 |
0.77 |
C1C=C(C)C[C@H]([C@H]2C(=C)C(O[C@@H]2C=C(C)[C@H]1OC(=O)C)=O)OC(=O)/C(/CO)=C/CO
|
|
| MCULE-5527954946 |
0.77 |
O=C(/C(=C/CO)/C)O[C@H]1[C@]2(C(C(=O)O[C@]2([H])C=C(C)[C@@H](OC(=O)C)CC=C(COC(=O)C)C1)=C)[H]
|
|
| MCULE-8569314397 |
0.77 |
O=C(C(=CCO)C)O[C@H]1[C@]2(C(C(=O)O[C@]2([H])C=C(C)[C@@H](OC(=O)C)CC=C(COC(=O)C)C1)=C)[H]
|
|
| MCULE-9208930385 |
0.77 |
C1(=O)OC2C(CCC(C)=CCC(O)C(C)=C2)C1=C
|
|
| MCULE-1022445986 |
0.77 |
C1CC2(C)C3CCC4/C(/C(CC4(C)C3(C)C(C(O)C2C(C1=O)C)=O)OC(=O)C)=C(/C(=O)O)\CC/C=C(\C)/C
|
|
| MCULE-1566350070 |
0.77 |
C1=C(C)C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)C[C@@H]1O
|
|
| MCULE-6663461828 |
0.77 |
C1C=C(COC(C)=O)CC(OC(=O)C(C)CC)C2C(=C)C(=O)OC2C=C(CO)C1
|
|
| MCULE-6089943254 |
0.77 |
C1(=O)O[C@H](C)CCCC=C[C@@]2([H])CC(=O)C[C@]2([H])[C@@H](O)C=C1
|
|
| MolPort-001-740-199 |
0.77 |
CC(=O)O[C@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)[C@@H]2[C@H](OC(=O)C2=C)\C=C1\C
|
|
| MolPort-039-339-218 |
0.77 |
CC(=O)OC\C1=C\C[C@H](OC(C)=O)C(C)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(\C)=C\CO
|
|
| MolPort-039-339-219 |
0.77 |
CC(=O)OC\C1=C\C[C@H](OC(C)=O)\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C1)OC(=O)C(\C)=C\CO
|
|
| MolPort-007-549-139 |
0.77 |
CC12CC[C@H]3[C@@H](CCC(=O)CC(O)CCC3=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-001-742-445 |
0.77 |
CC(=O)O[C@@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)C2[C@H](OC(=O)C2=C)\C=C1\C
|
|
| MolPort-046-158-459 |
0.77 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](C\C(C)=C\CC1)OC(=O)C(\CO)=C\CO
|
|
| MolPort-001-739-739 |
0.77 |
CC1C2C(O)C(=O)C3(C)C(CCC4\C(C(CC34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)C2(C)CCC1=O
|
|
| MolPort-020-005-698 |
0.77 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C)=C\[C@@H](O)C1
|
|
| MolPort-046-627-212 |
0.77 |
CCC(C)C(=O)OC1C\C(COC(C)=O)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-038-386-730 |
0.77 |
C[C@@H]1CCC\C=C\[C@H]2CC(=O)C[C@@H]2[C@@H](O)\C=C\C(=O)O1
|
|
| MolPort-021-804-733 |
0.76 |
CC1(CO)CC2C(C1)C(C)(O)CC1=C(COC1=O)C2O
|
|
| MCULE-5042813534 |
0.76 |
C12C(O)C3CC(CO)(C)CC3C(O)(C)CC=1C(=O)OC2
|
|
| MCULE-3732438270 |
0.76 |
C(O)(C12C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC1(O)CC(O)CC2)=O
|
|
| MCULE-5558502153 |
0.76 |
C1CC(C(=O)OCC2C(=C)C2)=CCC1
|
|
| MCULE-1194643306 |
0.76 |
O1C(C2C=CCC3C2C1C=CC3O)=O
|
|
| MCULE-2089176275 |
0.76 |
C1C=C(C[C@H](OC(=O)C(CO)=C)[C@@H]2[C@H](OC(=O)C2=C)C=C(CO)C1)C
|
|
| MCULE-9072555005 |
0.76 |
C1(O)C=C(C)CC(OC(=O)/C(/CO)=C\C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-7388224086 |
0.76 |
C12C(CC(=C(C(C)CCCOC(C)=O)[C@H]1OC(C)=O)COC(C(C)C)=O)OC(=O)C2=C
|
|
| MCULE-8432569167 |
0.76 |
C1(O)C=C(C)CC(OC(=O)/C(/CO)=C/C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-4351037464 |
0.76 |
C1(=O)[C@@](O)(C)C[C@@H]([C@@H]2[C@H](OC(=O)C2=C)C=C(C)C(O)C1)OC(=O)C(C)=C
|
|
| MCULE-1228200157 |
0.76 |
C1[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)CCCC=C[C@]2([H])C[C@@H]1O
|
|
| MCULE-1898871437 |
0.76 |
C12CC(CC1C=CCCCC(C)OC(=O)C=CC2O)O
|
|
| MCULE-7768079101 |
0.76 |
O1[C@H](C)CCCC=C[C@@]2([H])C[C@@H](O)C[C@]2([H])[C@H](C=CC1=O)O
|
|
| MCULE-3183629646 |
0.76 |
O=C1CC2(C)C(C3COC(C=3)=O)CCC2(O)C2CCC3CC(O)CCC3(C)C21
|
|
| MCULE-7045262498 |
0.76 |
C1CC=C[C@]2([H])C[C@H](O)C[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)C1
|
|
| MCULE-4388066404 |
0.76 |
C1[C@H](O)C[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)CCCC=C[C@]12[H]
|
|
| MCULE-3094170088 |
0.76 |
O=C1C=C[C@@H](O)[C@@]2([H])[C@](C[C@@H](C2)O)([H])C=CCCC[C@H](C)O1
|
|
| MCULE-5014476622 |
0.76 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1)O
|
|
| MCULE-9485946749 |
0.76 |
C1(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC2C(C)=C1
|
|
| MCULE-1699204347 |
0.76 |
C1(=O)C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])C(C)=C1
|
|
| MCULE-1120014260 |
0.76 |
[C@@]12([H])OC(=O)C([C@@]1([H])CC=C([C@@H](OC(=O)C)CC(=O)C)[C@@H](C)C2)=C
|
|
| MCULE-1031631524 |
0.76 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(C)C)C([C@@H](C)CCCOC(=O)C)=C(C)C2
|
|
| MCULE-9998977190 |
0.76 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(C)C)C([C@@H](C)CCCO)=C(C)C2
|
|
| MCULE-6591915280 |
0.76 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)CC(C)CC)C([C@@H](C)CCCO)=C(C)C2
|
|
| MCULE-1326219832 |
0.76 |
C(CCCOC(=O)C)(C)C1C(OC(=O)CC(C)CC)C2C(=C)C(=O)OC2CC=1C
|
|
| MolPort-039-101-233 |
0.76 |
C\C=C(/CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-101-234 |
0.76 |
C\C=C(\CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-001-741-296 |
0.76 |
C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)CO
|
|
| MolPort-001-740-994 |
0.76 |
CC(=C)C(=O)O[C@H]1C[C@@](C)(O)C(=O)CC(O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-001-742-576 |
0.76 |
CC(C)C(=O)OCC1=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C2C(C1)OC(=O)C2=C
|
|
| MolPort-046-761-036 |
0.76 |
C\C=C(\CO)C(=O)O[C@@H]1C\C(C)=C\[C@@H](O)C\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-002-227-778 |
0.76 |
CC1CCC\C=C\C2CC(O)CC2C(O)\C=C\C(=O)O1
|
|
| MolPort-004-955-162 |
0.76 |
C[C@H]1CCC\C=C\C2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1
|
|
| MolPort-046-761-891 |
0.76 |
C[C@H]1CCC\C=C/[C@@H]2C[C@H](O)C[C@@H]2C(O)\C=C\C(=O)O1
|
|
| MolPort-046-590-297 |
0.76 |
C[C@H]1CCC\C=C/C2C[C@H](O)C[C@H]2[C@H](O)\C=C/C(=O)O1
|
|
| MolPort-046-701-388 |
0.76 |
C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)C=CC(=O)O1
|
|
| MolPort-001-739-555 |
0.76 |
C[C@@H]1CCC\C=C\[C@H]2C[C@@H](O)C[C@@H]2[C@@H](O)\C=C\C(=O)O1
|
|
| MolPort-003-845-305 |
0.76 |
C[C@H]1CCC\C=C\[C@@H]2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1
|
|
| MolPort-039-052-501 |
0.76 |
C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1[C@H](CC(C)=O)OC(C)=O
|
|
| MolPort-046-761-503 |
0.76 |
C[C@H]1[C@@H]2CC[C@@]3(C)[C@@H](C(=O)C[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-046-762-703 |
0.76 |
C[C@H]1[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C(=O)C[C@@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-002-526-910 |
0.76 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)C[C@H](O)[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-039-338-233 |
0.76 |
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@]2(O)OC1=O
|
|
| MolPort-046-765-335 |
0.76 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2C(=O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-021-804-540 |
0.76 |
CC1=CC(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC12
|
|
| MolPort-029-943-088 |
0.76 |
CCC(C)CC(=O)OC1C2C(CC(C)=C1C(C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-029-943-087 |
0.76 |
CCC(C)CC(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCO)OC(=O)C2=C
|
|
| MolPort-029-943-086 |
0.76 |
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-029-943-084 |
0.76 |
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCO)OC(=O)C2=C
|
|
| MolPort-039-338-617 |
0.76 |
CC(C)C(=O)O[C@@H]1[C@H]2[C@@H](CC(C)=C1C(C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-002-521-219 |
0.75 |
C[C@]12CCC3[C@@H](CCC4CC(=O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-027-853-729 |
0.75 |
CC1=C2CC3C(=C)CCCC3(C)CC2OC1=O
|
|
| MolPort-023-220-734 |
0.75 |
CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@@H]2OC1=O
|
|
| MolPort-046-510-442 |
0.75 |
O=C1OC(=O)C2=C1CCCCCC2
|
|
| MolPort-001-739-842 |
0.75 |
CC1=C2CC3C(=C)C(O)CCC3(C)CC2OC1=O
|
|
| MolPort-035-706-238 |
0.75 |
CC(=O)O[C@@H]1C\C(C)=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-019-937-562 |
0.75 |
CC(=O)OC1C\C(C)=C\CC\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-021-804-735 |
0.75 |
CC1(C)CC2C(C1)C(C)(O)CC1=C(COC1=O)C2O
|
|
| MolPort-007-980-739 |
0.75 |
CC(=O)O[C@H]1C[C@@](C)(O)[C@@H]2C[C@H]3C(OC(=O)C3=C)C=C(C)[C@@H]12
|
|
| MolPort-042-675-283 |
0.75 |
COC1C(O)C2C(C)(C)CCCC2(C)C2=C1C(=O)OC2
|
|
| MolPort-001-740-742 |
0.75 |
C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)C(O)CO
|
|
| MolPort-005-944-535 |
0.75 |
CCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-028-854-621 |
0.75 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@H](CC[C@]3(C)[C@H]1CC2O)OC(=O)CCC(O)=O)C1=CC(=O)OC1
|
|
| MolPort-005-944-539 |
0.75 |
CCCCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-046-762-705 |
0.75 |
C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2CC[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-006-391-771 |
0.75 |
COC(C)CC(=O)C1=C(C)C(CCC1(C)C)OC(C)=O
|
|
| MCULE-7048270500 |
0.75 |
C1CC2(C)CC3OC(=O)C(C)=C3CC2C(=C)C1O
|
|
| MCULE-8399347131 |
0.75 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CCC2[C@]1(C)CCC(=O)C2)C1COC(=O)C=1
|
|
| MCULE-8879489618 |
0.75 |
C1CCCC2C(=O)OC(=O)C=2CCCCC1
|
|
| MCULE-1443616160 |
0.75 |
CC1C(CCC2COC(=O)C=2)(C)C2CC(O)C=C(CO)C2(COC(C)=O)CC1
|
|
| MCULE-1868424196 |
0.75 |
O=C1CCC2(C)C3C(CC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O)OC(C)=O
|
|
| MCULE-2606384678 |
0.75 |
[C@@H]1(C[C@@]2([H])[C@@](C(CO)=C1)(COC(C)=O)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1)O
|
|
| MCULE-1226258144 |
0.75 |
C(OC)(C12C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC1(O)CC(O)CC2)=O
|
|
| MCULE-2566917767 |
0.75 |
C12C(O)C3CC(C)(C)CC3C(O)(C)CC=1C(=O)OC2
|
|
| MCULE-6504048226 |
0.75 |
C1C=C(C)CC(OC(=O)C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-8133468470 |
0.75 |
C1CC2(C)C3COC(=O)C=3C(OC)C(O)C2C(C)(C)C1
|
|
| MCULE-2702437708 |
0.75 |
C12([H])CC3C(C=C(C)C1([H])C(CC2(C)O)OC(C)=O)OC(=O)C3=C
|
|
| MCULE-5937685751 |
0.75 |
[C@@]12([H])C[C@H]3C(C=C(C)[C@@]1([H])[C@H](C[C@@]2(C)O)OC(C)=O)OC(=O)C3=C
|
|
| MCULE-1338496475 |
0.75 |
C1=C(C)C[C@@H](OC(=O)C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-2858651865 |
0.75 |
O=C1C2C(C)CCC2C(C)C2=C1C(CCC1OC(=O)C(C)=C1)(C)OC2=O
|
|
| MCULE-5288653087 |
0.75 |
C1C(C2(C(C(C=C(C2(O)CO)CO)OC(CCCCCCC)=O)C(C)(C)C1)C)O
|
|
| MCULE-1713731192 |
0.75 |
C1CC(C)(C)C2C(C(CO)(C(=CC2OC(CCCCC)=O)CO)O)(C1O)C
|
|
| MCULE-7181833804 |
0.75 |
C1C=C(C[C@@H]([C@@H]2[C@H](OC(C2=C)=O)C=C(CO)C1)OC(=O)C(=C)C(CO)O)C
|
|
| MCULE-8873828930 |
0.75 |
C1=CC2(C)CCC3C(=C)C(=O)OC3C2=C(C)C1=O
|
|
| MCULE-7803701147 |
0.75 |
C1C2C3C4C(=O)OC(C=CC23)C4C=1
|
|
| MCULE-6747628390 |
0.75 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-2738564503 |
0.75 |
C1CC(C)(C)C2C(C)(C(CC/C(/COC(=O)C)=C\C(=O)O)C(C=O)=CC2O)C1
|
|
| MCULE-2962714006 |
0.75 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C(O)=O
|
|
| MCULE-4630794584 |
0.75 |
C12(C=O)CC[C@H](CC1(O)CC[C@@]1([H])CC3(C(C)(CC(C3)C3COC(=O)C=3)C[C@]21[H])O)O
|
|
| MCULE-6660850303 |
0.75 |
[C@]12(O)CC[C@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-7571794100 |
0.75 |
O=C(O)C12C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC1(O)CC(O)CC2
|
|
| MCULE-4895972010 |
0.75 |
C12(O)CCC(C1(C)CCC1C2([H])CCC2(C1(C=O)CCC(O)C2)O)C1COC(=O)C=1
|
|
| MCULE-1014190195 |
0.75 |
C1(OCC(=C1C)CCCCC(=O)O)=O
|
|
| MolPort-002-526-048 |
0.75 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-517-105 |
0.75 |
[NH4+].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-536-709 |
0.75 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-005-945-288 |
0.75 |
CC(=O)OC\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\C(O)=O
|
|
| MolPort-002-510-188 |
0.75 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C(O)=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-001-845-372 |
0.75 |
CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-004-963-698 |
0.75 |
CC(C)(C)C(=O)OCC1=CC(=O)[C@@H]2C[C@H]1C2(C)C
|
|
| MolPort-015-135-814 |
0.75 |
CC12CC(CC1(O)C[C@@H]1CCC3(O)C[C@H](O)CCC3(C=O)[C@H]1C2)C1=CC(=O)OC1
|
|
| MolPort-007-549-367 |
0.75 |
CC12CC[C@H]3[C@@H](CCC4(O)C[C@H](O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-506-953 |
0.75 |
C[C@]12CCC3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-019-699-590 |
0.75 |
CC12CCC3C(CCC(C)(O)C3(C)C([O-])=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-019-699-559 |
0.75 |
CC12CCC3C(CCC4(O)CC(O)CCC34C([O-])=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-007-549-412 |
0.75 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(O)CCC34C(O)=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-001-742-398 |
0.74 |
C\C=C(/CO)C(=O)OC\C(=C/C)C(=O)O[C@@H]1C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C/[C@@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-007-549-411 |
0.74 |
CC12CC[C@H]3[C@@H](CCC4=CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-527-393 |
0.74 |
C[C@]12CCC3C(CCC4=C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-035-918-675 |
0.74 |
O=C1OC(=O)C2=C1CCCCC2
|
|
| MolPort-004-964-842 |
0.74 |
CCCCC1OC(=O)C2=CCCCC12
|
|
| MolPort-019-937-183 |
0.74 |
CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(CO)\CCC=C(C=O)C1OC
|
|
| MCULE-3052348589 |
0.74 |
C1(=O)O[C@@H]2[C@@H]([C@@H](CC(C)=CC[C@H](OC(C)=O)C(C)=C2)OC(=O)/C(=C/C)/COC(=O)/C(/CO)=C/C)C1=C
|
|
| MCULE-6266062726 |
0.74 |
C1=CC2CC1C13OC12C1CC3C=C1C(OC)=O
|
|
| MCULE-3087856332 |
0.74 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1C2CCC2[C@]1(C=O)CC[C@H](O)C=2)C1COC(=O)C=1
|
|
| MCULE-5854292644 |
0.74 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2C1(C=O)CCC(O)C=2)C1COC(=O)C=1
|
|
| MCULE-9616259526 |
0.74 |
C12CCCCCC=1C(=O)OC2=O
|
|
| MCULE-8810317888 |
0.74 |
C1(=O)C(C2CCCCC2)=C(C(=O)O1)C1CCCCC1
|
|
| MCULE-6440147345 |
0.74 |
O1C(C2=CCCCC2C1CCCC)=O
|
|
| MCULE-2041000423 |
0.74 |
[C@]12(C)[C@@]([H])(CC[C@]3([H])[C@]1(C)C[C@@H](/C/3=C(/CC/C=C(/C)\C)\C(O)=O)OC(C)=O)[C@@]1(C)C=CC([C@@H](C)[C@@]1([C@H](OC(C)=O)C2=O)[H])=O
|
|
| MCULE-2596206534 |
0.74 |
C1C(O)C2(C)CC3(O)OC(=O)C(C)=C3CC2C(=C)C1
|
|
| MCULE-6477809398 |
0.74 |
C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])C2COC(=O)C1=2
|
|
| MCULE-8302542414 |
0.74 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)OC(C)=O)[H]
|
|
| MCULE-5595198949 |
0.74 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@]1([H])[C@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)O)C(OC)=O
|
|
| MCULE-6449749404 |
0.74 |
[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-7864191553 |
0.74 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](O)C([C@@H](C)CCCOC(=O)C)=C(C)C2
|
|
| MCULE-2203626367 |
0.74 |
C1(C)CC2OC(=O)C(=C)C2C(O)C=1C(C)CCCO
|
|
| MCULE-4115143726 |
0.74 |
O[C@@H]1C(=C(C)C[C@@]2([H])OC(=O)C(=C)[C@@]12[H])[C@@H](C)CCCO
|
|
| MCULE-7557744061 |
0.74 |
C1CC2(C)OC2CC2C(CC3(C)OC13)OC(=O)C=2C
|
|
| MolPort-005-943-994 |
0.74 |
C[C@H]1[C@@H]2[C@H](OC(C)=O)C(=O)[C@@]3(C)[C@@H](CC[C@H]4\C([C@H](C[C@]34C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O)[C@@]2(C)C=CC1=O
|
|
| MolPort-046-153-156 |
0.74 |
CC1=C2CC3C(=C)CCC(O)C3(C)CC2(O)OC1=O
|
|
| MolPort-035-705-816 |
0.74 |
CC(C)C1=CC(=O)C2=C(CC[C@H]3C4=C(CC[C@]23C)C(=O)OC4)C1=O
|
|
| MolPort-019-936-891 |
0.74 |
CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(C)\CCC=C(C=O)C1OC
|
|
| MolPort-009-757-723 |
0.74 |
[Co++].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-001-742-395 |
0.74 |
CO[C@@H]1[C@@H](OC(=O)C(C)C)[C@@H]2[C@H](OC(=O)C2=C)\C=C(C)\CC\C=C1\C=O
|
|
| MolPort-002-524-595 |
0.74 |
COC(=O)[C@]12CC[C@H](O)C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](CC[C@]12O)C1=CC(=O)OC1
|
|
| MolPort-029-943-083 |
0.74 |
C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
|
|
| MolPort-029-943-098 |
0.74 |
CC(CCCO)C1=C(C)CC2OC(=O)C(=C)C2C1O
|
|
| MolPort-005-944-934 |
0.74 |
CC1=C2CC3OC3(C)CCC3OC3(C)CC2OC1=O
|
|
| MolPort-039-338-340 |
0.74 |
CC(CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-046-158-516 |
0.74 |
C[C@@H](CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
|
|
| MolPort-046-790-483 |
0.74 |
C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-044-754-102 |
0.74 |
CC(CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-001-739-897 |
0.73 |
CC1C(=O)OC[C@H]2C(=C[C@@H]3CC(C)(C)C[C@]123)C(O)=O
|
|
| MolPort-005-945-283 |
0.73 |
CC(=O)OC\C(CC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MolPort-039-338-433 |
0.73 |
C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC=C2C(O)=O)[C@@]1(C)CCC1=CCOC1=O
|
|
| MolPort-038-386-482 |
0.73 |
CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3CC1)C(CO)=CC2=O
|
|
| MolPort-046-153-175 |
0.73 |
COCC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2OC(C)=O
|
|
| MolPort-021-804-541 |
0.73 |
CC(=O)OC1C(O)C=C(C)C2CC3C(CC12C)OC(=O)C3=C
|
|
| MolPort-000-755-388 |
0.73 |
CC1=C(C(=O)OC1(C)C)C(C)(O)C(C)(O)C1=C(C)C(C)(C)OC1=O
|
|
| MolPort-019-937-355 |
0.73 |
CC1(C)CCCC2(C)C1CC(O)C1=C2C(=O)OC1
|
|
| MolPort-021-804-738 |
0.73 |
CC1=C2CC3C(CCC3(C)O)C(C)(O)CC2OC1=O
|
|
| MolPort-001-742-421 |
0.73 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC2=C(C)C(=O)C[C@@H]12
|
|
| MolPort-027-640-917 |
0.73 |
CCCCC[C@@H]1OC(=O)CCC\C=C/C[C@H]2[C@@H](O)C[C@@H](O)[C@@H]2\C=C\1
|
|
| MCULE-7118099436 |
0.73 |
C(C)(=O)OC1CCC2(C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC2(O)C1)C=O
|
|
| MCULE-2014190393 |
0.73 |
C(C)(=O)OC1CCC2(C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC2(O)C1)C(O)=O
|
|
| MCULE-7055938722 |
0.73 |
O=C1C23C4CCC5(C)C(C6COC(C=6)=O)CCC5(C4(CCC2(O)CC(O)CC3)O1)[H]
|
|
| MCULE-1216188840 |
0.73 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(C2=C1)=O
|
|
| MCULE-7501478721 |
0.73 |
C1CC(C)([C@]2([H])[C@](C)([C@H](CC/C(=C\C(=O)O)/COC(=O)C)C(C=O)=CC2)C1)C
|
|
| MCULE-2442515222 |
0.73 |
C1C[C@]2([H])[C@@](C)(CCC3=CCOC3=O)[C@H](C)C[C@H](O)[C@@]2(C)C(C(=O)O)=C1
|
|
| MCULE-4523943869 |
0.73 |
C1C=C(C)CC(OC(=O)C)C2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-4385148400 |
0.73 |
OCC1=CC(C2=C(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@]21[H])=O
|
|
| MCULE-1066490491 |
0.73 |
C1(=C(C)C(OC1=O)(C)C)C(C)(O)C(C)(O)C1=C(C)C(OC1=O)(C)C
|
|
| MCULE-9839017109 |
0.73 |
[C@]12(C)CCCC[C@]1([H])C(=C)C1[C@@]([H])(OC(C=1C)=O)C2
|
|
| MCULE-7717916149 |
0.73 |
C12CC3=C(C)C(=O)OC3CC(O)(C)C1CCC2(C)O
|
|
| MCULE-5189438807 |
0.73 |
C1(C(C(/C=C(/C)\CCC2OC(=O)C=C2C)=O)C(C(C(C(O)/C=C(/C)\C)=O)C)CC1)C
|
|
| MCULE-8297229450 |
0.73 |
C12C[C@H]3[C@@H](C[C@H](C)[C@]1([H])CC(=O)C=2C)OC(=O)C3=C
|
|
| MCULE-9705119087 |
0.73 |
[H][C@@]12CCC(C)=CCCC(C)=C[C@@]1([H])OC(=O)C2
|
|
| MCULE-9660798204 |
0.73 |
C1(=O)CCC(O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
|
|
| MCULE-9832397249 |
0.73 |
C1C(OC(C)=O)C2(C(CC3C(O)(C2)OC(=O)C=3C)C(=C)C1)C
|
|
| MCULE-6534243824 |
0.73 |
C1=CC2C3C=C(C(=O)OC)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-1707790411 |
0.73 |
O=C1OC2C(CCC(=CCCC3(C(CCC(=C2)C)O3)C)C)=C1C
|
|
| MCULE-4824360118 |
0.73 |
C12(OC(=O)C)CCC(=O)C=C1CCC1C3CCC(=O)C3(CCC21)C
|
|
| MCULE-4611936405 |
0.73 |
C1C=C(C)CC2(O)OC(=O)C(C)=C2CC(=O)C(C)C1
|
|
| MCULE-4082383007 |
0.73 |
C12OC1C(=O)C(CO)=CCC(CC/C=C(\C)/C)(C)C=CC(OC(=O)/C=C(\C)/C)C2(C)O
|
|
| MCULE-1502775418 |
0.73 |
C12=CCC(C1(C)CCC1C2CCC2(C1(CO)CCC(O)C2)[H])C1COC(=O)C=1
|
|
| MCULE-4173076088 |
0.73 |
C12(C)C3C(C4OC3(C)C=C4)C(C)(O1)C(C(=O)OC)=C2C(=O)OC
|
|
| MCULE-9254356497 |
0.73 |
C12(C)C3C(C4(C)OC3(C)C=C4)C(C)(O1)C(C(=O)OC)=C2C(=O)OC
|
|
| MCULE-8636553484 |
0.73 |
C1CC2(C)C3C(=O)OCC=3C(C(=O)C(C)O)(C)CC2C(C)=C2CC(=O)OC(C)(C)C=12
|
|
| MCULE-1524945873 |
0.73 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]2(C)C(C(=O)OC)=C1
|
|
| MCULE-1198051930 |
0.73 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/C)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
|
|
| MCULE-8961282760 |
0.73 |
C1C=C(C)C(=O)C=CC(C)(C)C2C=C(C1)C(=O)O2
|
|
| MCULE-4274335769 |
0.73 |
C1[C@H](C)OC(=O)C=1C[C@H](O)CCCCC[C@@H](O)CCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCCC)O1
|
|
| MCULE-5311242901 |
0.73 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/C)C(C(=C)C(=O)O)C(O)C1C(=C)CO
|
|
| MCULE-1414318418 |
0.73 |
O1C(=O)C(C[C@H](O)CCCCC[C@@H](O)CCCC[C@@H](O)[C@H]2CC[C@H]([C@H](O)CCCCCCCCCCCC)O2)=C[C@@H]1C
|
|
| MCULE-6317774895 |
0.73 |
C(C)(=O)OC1CCC23C4CCC5(C)C(C6COC(C=6)=O)CCC5C4(CCC2(O)C1)OC3=O
|
|
| MCULE-8674366228 |
0.73 |
C(C)(=O)OC1CCC2(C)C3C(CC=C2C1)C1CCC(C1CC3)C(OC1C=CC2C3CC(CC3)C12)=O
|
|
| MCULE-1356077791 |
0.73 |
[C@H]12OC(=O)C([C@@H]1[C@@H](OC(/C(/C)=C/CO)=O)CC(=C)[C@]1([H])C=C[C@](O)(C)[C@@]12[H])=C
|
|
| MolPort-019-937-216 |
0.73 |
CC\C=C/CC1C(=O)C=CC1(CCCCC1CCC(=O)O1)OC(C)=O
|
|
| MolPort-005-944-875 |
0.73 |
CC(=O)OC1CCC(=C)C2CC3=C(C)C(=O)OC3(O)CC12C
|
|
| MolPort-046-765-314 |
0.73 |
CCCCCCCCCCC[C@@H]1CC=C(CCCCCC)C(=O)O1
|
|
| MolPort-002-911-074 |
0.73 |
CC(=O)OC12CCC(=O)C=C1CCC1C3CCC(=O)C3(C)CCC21
|
|
| MolPort-021-804-784 |
0.73 |
CC1CC\C=C(C)\CC2(O)OC(=O)C(C)=C2CC1=O
|
|
| MolPort-005-911-057 |
0.73 |
CC12CCC3C(CCC4CC(O)CCC34CO)C1=CCC2C1=CC(=O)OC1
|
|
| MolPort-046-697-180 |
0.73 |
CC(O)C(=O)C1(C)CC2C(C)=C3CC(=O)OC(C)(C)C3=CCC2(C)C2=C1COC2=O
|
|
| MolPort-035-705-809 |
0.73 |
COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]12C
|
|
| MolPort-046-693-328 |
0.73 |
CCOC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
|
|
| MolPort-029-943-089 |
0.73 |
CCC(C)C(=O)O[C@@H]1[C@@H]2[C@H](CC(C)=C1[C@H](C)CCCO)OC(=O)[C@]21C[C@]23C(OC(C)=O)[C@@H]1C(C)=C2C[C@@H]1[C@@H](C[C@H]3C)OC(=O)C1=C
|
|
| MolPort-039-141-792 |
0.73 |
CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O
|
|
| MolPort-001-741-261 |
0.73 |
C\C1=C/CCC2=CC(OC2=O)C(C)(C)\C=C/C1=O
|
|
| MolPort-006-668-458 |
0.73 |
CC(=O)OC\C=C(\C)C(=O)OC1CC(C)(C=C)C(C(O)C1C(=C)C(O)=O)C(=C)CO
|
|
| MolPort-006-668-667 |
0.73 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(\C)=C/COC(C)=O)C=C
|
|
| MolPort-001-742-756 |
0.73 |
C\C1=C\CCC2=CC(OC2=O)C(C)(C)\C=C/C1=O
|
|
| MolPort-005-945-281 |
0.73 |
CC(=O)OC\C(CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MolPort-039-339-222 |
0.73 |
C\C(=C/CO)C(=O)O[C@H]1CC(=C)[C@@H]2C=C[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-023-274-269 |
0.72 |
CCC(C)C(=O)OC1C2[C@H](OC(=O)C2=C)\C=C(CO)\CCC=C(CO)[C@@H]1OC(C)=O
|
|
| MolPort-046-153-174 |
0.72 |
COCC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2O
|
|
| MolPort-001-742-574 |
0.72 |
CC1=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC(=O)[C@@]2(C)CCC1
|
|
| MolPort-044-724-399 |
0.72 |
CC1CCC=C2C1C(=O)OC2=O.CC1CCCC2=C1C(=O)OC2=O
|
|
| MolPort-035-705-907 |
0.72 |
C[C@@H]1C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1
|
|
| MolPort-001-740-819 |
0.72 |
C[C@@H]1C[C@@H](OC(C)=O)C2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1
|
|
| MolPort-000-757-886 |
0.72 |
C[C@]12CCC3C(CCC4(O)CC(CC[C@]34COC(=O)CCC(O)=O)OC(=O)CCC(O)=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-007-549-417 |
0.72 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(CCC34COC(=O)CCC(O)=O)OC(=O)CCC(O)=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-509-854 |
0.72 |
C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](CC[C@]34COC(=O)CCC(O)=O)OC(=O)CCC(O)=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-001-742-676 |
0.72 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2COC(C)=O)CC(O)=O
|
|
| MolPort-029-943-123 |
0.72 |
CC(CCCCCC1OC(=O)C=C1)C(C)=O
|
|
| MCULE-8148008657 |
0.72 |
C1CC(C)([C@]2([H])[C@](C)([C@H](CC/C(=C\C(=O)O)/COC(=O)C)C(C)=CC2=O)C1)C
|
|
| MCULE-4273868412 |
0.72 |
C1C=C(C)CC(O)C2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-5751414985 |
0.72 |
[C@@H]12OC(C(=C)[C@@H]1CC([C@@]1(C)CCCC(C)=C21)=O)=O
|
|
| MCULE-9035965650 |
0.72 |
C1(C=CCCCCCCCC)CCCCCCC(=O)O1
|
|
| MCULE-8236546660 |
0.72 |
O(C(=O)C)[C@@H]1C[C@@H](C)[C@@](O)([C@@]2(C1C(C)(C)CCC2)C)CCC1COC(=O)C=1
|
|
| MCULE-4804864002 |
0.72 |
[C@@]12(CC[C@@H](C[C@@]1(O)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(O)CC[C@@H]2C1COC(=O)C=1)C)OC(CCC(O)=O)=O)COC(CCC(O)=O)=O
|
|
| MCULE-4985709972 |
0.72 |
C12C(CC=C(C(OC)=O)C1)O2
|
|
| MCULE-7793896949 |
0.72 |
C12(CCC(CC1(O)CCC1([H])C2([H])CCC2(C1(O)CCC2C1COC(=O)C=1)C)OC(CCC(O)=O)=O)COC(CCC(O)=O)=O
|
|
| MCULE-1305866944 |
0.72 |
O1C2C(C3CCCC=3C1=O)CCCC2
|
|
| MCULE-5675720715 |
0.72 |
[C@@]12(CCC(CC1(O)CCC1C2CC[C@]2(C1(O)CCC2C1COC(=O)C=1)C)OC(CCC(O)=O)=O)COC(CCC(O)=O)=O
|
|
| MCULE-9952768892 |
0.72 |
C1(=O)CC2C(C(=C1)COC(=O)C)(C)CCC(C)C2(CCC(CC(O)=O)C)C
|
|
| MCULE-7541323970 |
0.72 |
C1C(=O)OC(CCCCCC(C(=O)C)C)C=1
|
|
| MCULE-7003052133 |
0.72 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-9326656323 |
0.72 |
C12(O)CC(CC1(C)CCC1C2CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-1441261356 |
0.72 |
C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-1950814728 |
0.72 |
C1[C@@H](O)C2[C@@H](C)[C@@]3([H])OC(=O)C(=C)[C@@]3([H])CC2=C(C)C1
|
|
| MCULE-7503740182 |
0.72 |
C(=O)(OC1CC(C)CCC1C(C)C)C1CCC(C(=O)OC2CC(C)CCC2C(C)C)CC=1
|
|
| MCULE-5198741898 |
0.72 |
[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-1584743999 |
0.72 |
[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-5325377420 |
0.72 |
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 |
0.72 |
CC(C(C1C(CC2C(O)C(O)C(CC(=CC(OCCCCCCCCC(=O)O)=O)C)OC2)O1)C)O
|
|
| MCULE-1158671172 |
0.72 |
O1C(=O)C2=C(CCCC2)C1=O
|
|
| MCULE-5470759504 |
0.72 |
C1(OC(=O)CC)C(C)=CCC(C(=C)C)C1
|
|
| MCULE-8124558417 |
0.72 |
C/C(=C/CC/C(=C/CC/C(/C)=C/CC/C(=C/COC(C)=O)/COC(C)=O)/C(O)=O)/C
|
|
| MCULE-8523582209 |
0.72 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/CO)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
|
|
| MCULE-3293161796 |
0.72 |
[C@@]12(C)C(=O)C=C[C@@]1([H])[C@H](C)C[C@@]1([H])OC(=O)C(=C)[C@@]1([H])[C@@H]2O
|
|
| MCULE-3716742475 |
0.72 |
[C@@H]1(C[C@@]2(C3CC[C@@]4([C@H](CC[C@]4(C3=CC([C@]2([H])C[C@H]1O)=O)O)[C@@]([C@H](O)C[C@@H]1[C@@H](C)OC(=O)[C@H]1C)(C)O)C)C)O
|
|
| MCULE-4827912965 |
0.72 |
CC/C(=C/C(=O)O[C@H]1C(=C)[C@@]2(CC(=O)/C(=C\C)/[C@@]2([H])[C@H](C(C)C)C1)[H])/C
|
|
| MCULE-8750855908 |
0.72 |
C1[C@]([H])(C/C=C(\C)/CC2CC(C)C(=O)O2)C(C(O1)=O)=C
|
|
| MCULE-8753646114 |
0.72 |
[C@@]12(O)CC[C@H]([C@](O)(C)[C@H](O)C[C@H]3[C@H](C)C(=O)O[C@@H]3C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C[C@@H]([C@H](O)C[C@@]3([H])C(=O)C=C21)O
|
|
| MCULE-7395356540 |
0.72 |
C1C[C@]2([H])[C@@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]2(C)C(C(=O)OC)C1
|
|
| MCULE-3521793580 |
0.72 |
C1[C@@H](O)[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
|
|
| MCULE-1028193763 |
0.72 |
C1C(O)C2(C(C3C(CC2)C(=C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-9439877737 |
0.72 |
O1[C@H](C)[C@@H](C[C@@H](O)[C@](O)([C@@H]2[C@@]3(C)CC[C@]4([H])[C@]5(C)[C@]([H])(C(=O)C=C4[C@]3(O)CC2)C[C@@H](O)[C@@H](O)C5)C)[C@H](C)C1=O
|
|
| MCULE-4437204352 |
0.72 |
O(C(=O)C)[C@H]1[C@](C=C)(C)CCC2=C1[C@H](OC(=O)C)CC1[C@]2(C)[C@@H](OC(C)=O)CC[C@@]1(C)C(OC)=O
|
|
| MCULE-1278548612 |
0.72 |
C12[C@H](OC(C)=O)C[C@@]3([C@](C)([C@H](CC[C@@]3(C)C(OC)=O)OC(C)=O)C=1CC[C@](C)(C=C)[C@@H]2OC(C)=O)[H]
|
|
| MolPort-002-530-312 |
0.72 |
CC([NH3+])(CO)CO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-046-158-543 |
0.72 |
CC1(C)CCC[C@]2(C)[C@H]3COC(=O)C3=CC[C@@H]12
|
|
| MolPort-002-527-547 |
0.72 |
[NH3+]CCO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-708-424 |
0.72 |
CC(=O)OC1CCC2(C=O)C3CCC4(C)CC(CC4(O)C3CCC2(O)C1)C1=CC(=O)OC1
|
|
| MolPort-007-549-415 |
0.72 |
CC(=O)OC1CCC2(C=O)[C@H]3CCC4(C)C(CCC4(O)[C@@H]3CCC2(O)C1)C1=CC(=O)OC1
|
|
| MolPort-046-790-345 |
0.72 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)[C@H](O)CC1)OC(=O)C3=C
|
|
| MolPort-001-742-530 |
0.72 |
CC(=O)O[C@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H]3CC[C@]2(O)C1)C1=CC(=O)OC1
|
|
| MolPort-002-528-272 |
0.72 |
CC(C)([NH3+])CO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-019-795-852 |
0.72 |
CC(C)([NH3+])CO.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-000-837-253 |
0.72 |
CC([NH3+])(CO)CO.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-003-666-882 |
0.72 |
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
|
|
| MolPort-046-195-363 |
0.72 |
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
|
|
| MolPort-046-762-778 |
0.72 |
CC(O)C(C)C1OC1CC1COC(C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)C(O)C1O
|
|
| MolPort-046-790-454 |
0.72 |
CC(=O)O[C@@H]1[C@@H](OC(=O)C(C)=C)[C@@H]2[C@H](OC(=O)C2=C)\C=C(CO)\CC\C=C1/C=O
|
|
| MolPort-001-741-161 |
0.72 |
CC(C)=CCC\C(=C\CC\C(C)=C\CC\C(COC(C)=O)=C\COC(C)=O)C(O)=O
|
|
| MolPort-044-183-474 |
0.72 |
CCCCC[C@H](O)\C=C\[C@H]1OC(=O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-002-501-600 |
0.72 |
O=C1OC(=O)C2=C1CCCC2
|
|
| MolPort-044-649-750 |
0.72 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)[C@](C)(COC(C)=O)C=C5COC(C)=O)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-044-561-384 |
0.72 |
C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O
|
|
| MolPort-021-804-707 |
0.72 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(\CO)=C/COC(C)=O)C=C
|
|
| MolPort-005-944-946 |
0.72 |
CC1CC(C\C(C)=C\C[C@H]2COC(=O)C2=C)OC1=O
|
|
| MolPort-044-559-975 |
0.72 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4CC(O)C(O)CC4(C)[C@H]3CCC12C
|
|
| MolPort-035-706-215 |
0.72 |
CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
|
|
| MolPort-020-005-955 |
0.72 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-052-352 |
0.72 |
C[C@H]1OC(=O)[C@@H](C)C1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-740-880 |
0.72 |
COC(=O)[C@]1(C)CC[C@H](OC(C)=O)[C@@]2(C)C1C[C@@H](OC(C)=O)C1=C2CC[C@](C)(C=C)[C@@H]1OC(C)=O
|
|
| MolPort-001-741-220 |
0.72 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-039-338-558 |
0.72 |
COC(=O)C1CCC[C@@H]2[C@@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]12C
|
|
| MolPort-005-945-167 |
0.72 |
CC1=CCC(O)C2(C)CCC3C(OC(=O)C3=C)C12
|
|
| MolPort-027-853-724 |
0.71 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)C(=O)C=C12
|
|
| MolPort-005-944-308 |
0.71 |
C\C=C\C(=O)OC1\C=C\C(OC(C)=O)C(O)CCC(=O)OC1C
|
|
| MolPort-046-153-176 |
0.71 |
COCC1C2CC\C(C)=C\CC\C(C)=C\C2OC1=O
|
|
| MolPort-046-153-715 |
0.71 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)C1=CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-005-945-460 |
0.71 |
C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-021-804-692 |
0.71 |
CC1CCC23COC(=O)C2=CC(O)CC3C1(C)CCC1=CC(=O)OC1O
|
|
| MolPort-029-937-842 |
0.71 |
O=C(OCC1CCOC1)C1=CCCCCC1
|
|
| MolPort-009-194-219 |
0.71 |
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
|
|
| MolPort-046-760-618 |
0.71 |
[Li+].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
|
|
| MolPort-000-825-884 |
0.71 |
[NH3+]CCCO.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-002-528-252 |
0.71 |
[NH3+]CCCO.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-046-153-148 |
0.71 |
CC1(CCC(=O)O1)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
|
|
| MCULE-6697936504 |
0.71 |
C1CC2(C)C3C(=O)CC4(C)C(C5(C)CCC(=O)O5)CC(O)C4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MCULE-1838518608 |
0.71 |
C1(CC(CCCCCCCCCCC(O)C2CCC(C3CCC(C(CCCCCCCCCC)O)O3)O2)O)=CC(OC1=O)C
|
|
| MCULE-5823109002 |
0.71 |
C1=CC2C3C=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-7768501355 |
0.71 |
C1=CC2C3C(C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-5454204287 |
0.71 |
C1C[C@@]2(C)[C@@]([C@H](O)CC3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-5045812758 |
0.71 |
C(=O)(OC1C(C(C=C(C1=O)CO)OC(C)=O)C(C)C)CC(C)C
|
|
| MCULE-2185195019 |
0.71 |
[C@@H]1(OC(C)=O)[C@@H](C(C)C)[C@@H](OC(=O)/C(/C)=C/C)C=C(CO)C1=O
|
|
| MCULE-3035603698 |
0.71 |
C(CC(C)CC)(OC1C(C(CO)=CC(OC(C)=O)C1C(C)C)=O)=O
|
|
| MCULE-9034458089 |
0.71 |
C12C3OC(C=C3)C1C1OC2C2C3OC(C(C(=O)OC)=C3C(=O)OC)C12
|
|
| MCULE-9709244279 |
0.71 |
C12C3C(C4OC3CC4)C(O1)C(C(=O)OC)=C2C(=O)OC
|
|
| MCULE-4463171772 |
0.71 |
CC1CCC2(OC(=O)CC2=C)CC=1
|
|
| MCULE-5092150576 |
0.71 |
OC1C(OC(=O)C)CCC(OC(C)C(C=C1)OC(=O)/C=C/C)=O
|
|
| MCULE-4529551060 |
0.71 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CCC1[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1)OC(C)=O
|
|
| MCULE-1322261917 |
0.71 |
C12(O)CC(C([C@@]1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C)CCC(C2)OC(C)=O)[H])C1COC(=O)C=1)OC(C)=O
|
|
| MCULE-2917275236 |
0.71 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1)OC(C)=O
|
|
| MCULE-1580462179 |
0.71 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CC(OC(=O)/C(/C)=C/C)C4=CC(=O)OC4)[C@@]3([H])C1OC(C(C)CC)=O)CO2
|
|
| MCULE-8726454334 |
0.71 |
[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-3230983688 |
0.71 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C5COC(C=5)=O)C(CC4(O)C3CCC2C1)OC(C)=O
|
|
| MCULE-2593667564 |
0.71 |
C1C=C(C(=O)C[C@@H]2[C@@H](C(C1)=C)C[C@]2(COC(=O)C)C)CO
|
|
| MCULE-5234178765 |
0.71 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC=C4[C@]3([H])CC[C@@]2([H])C[C@H]1O
|
|
| MCULE-1278081687 |
0.71 |
[C@]12(C)C[C@@H]3C(=C)C(=O)O[C@@H]3C[C@H](C)C1=CC(=O)[C@@H]2O
|
|
| MCULE-3919630131 |
0.71 |
O=C1C=C(CO1)C1CCC2(O)C1(C)CC(O)C1C2CCC2CC(O)CCC21C
|
|
| MCULE-5417027317 |
0.71 |
O(C1C(O)CCC(=O)OC(C)C(OC(=O)/C=C/C)C=C1)C(C)=O
|
|
| MCULE-5385404753 |
0.71 |
C1C=C(C)CCC2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-6443674630 |
0.71 |
C1=CC2C3C(COC(=O)C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-4827454681 |
0.71 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O
|
|
| MCULE-9817372120 |
0.71 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)=O
|
|
| MCULE-2562455528 |
0.71 |
C1(O)CC2C(C)(CCC3=CC(=O)OC3O)C(C)CCC32COC(=O)C3=C1
|
|
| MCULE-1536474229 |
0.71 |
O=C(C1CCCCCC=1)OCC1COCC1
|
|
| MolPort-046-762-296 |
0.71 |
OC1CC(=CC(O)C1O)C(=O)OC1C=C(CC(O)C1O)C(O)=O
|
|
| MolPort-023-221-547 |
0.71 |
CC12CCCC=C1C(=O)OC2=O
|
|
| MolPort-046-676-753 |
0.71 |
O=C1OC(=O)C2=CCCCC12
|
|
| MolPort-005-938-522 |
0.71 |
CC1=C(CCC2=CCOC2=O)[C@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@H]2CC1
|
|
| MolPort-044-545-969 |
0.71 |
C[C@H]1[C@@H]2CCC(C)=C[C@@H]2OC1=O
|
|
| MolPort-039-141-888 |
0.71 |
C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2[C@H](O)CC1=CCOC1=O
|
|
| MolPort-001-742-169 |
0.71 |
CCC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O
|
|
| MolPort-029-942-936 |
0.71 |
CO[C@H]1[C@@H]2[C@H](OC(=O)C2=C)\C=C(CO)\CC\C=C(C=O)/[C@@H]1OC(=O)C(C)=C
|
|
| MolPort-001-742-439 |
0.71 |
C\C=C(/C)C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(C)=O)[C@H]1C(C)C
|
|
| MolPort-005-944-833 |
0.71 |
CC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O
|
|
| MolPort-046-689-479 |
0.71 |
OCCNCCO.C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2[C@H](O)C[C@H]2\C([C@H](C[C@]12C)OC(C)=O)=C(\CCC=C(C)C)C(O)=O
|
|
| MolPort-021-804-698 |
0.71 |
C\C=C(\C)C(=O)OCC(CCO)CCC1(C)C(C)CCC2(CO)C1CCC=C2COC(=O)CCC(O)=O
|
|
| MolPort-039-338-289 |
0.71 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(C3OC(=O)C(\C=C\[C@@H]4C(=C)CC[C@@H]5[C@](C)(CO)[C@H](O)CC[C@@]45C)=C3)C3=CCOC3=O)C(=C)CC[C@H]12
|
|
| MolPort-039-338-575 |
0.71 |
C[C@H](CCCOC(C)=O)C1=CC2C(C[C@@]1(C)O)OC(=O)[C@]21CC2[C@@H]3[C@H](C)CC4OC(=O)C(=C)C4CC3=C(C)[C@]12OC(C)=O
|
|
| MolPort-039-052-442 |
0.71 |
CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C=C2)\C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-005-944-309 |
0.71 |
C\C=C\C(=O)OC1\C=C\C(O)C(CCC(=O)OC1C)OC(C)=O
|
|
| MolPort-002-521-459 |
0.71 |
CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C1=CC(=O)OC1
|
|
| MolPort-001-742-454 |
0.71 |
CC1=CC[C@H](O)[C@@]2(C)C[C@@H](O)[C@@H]3[C@@H](OC(=O)C3=C)[C@H]12
|
|
| MolPort-044-754-159 |
0.71 |
CCC(C)C(=O)OC1CC[C@]2(CO2)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(CC(OC(=O)C(\C)=C\C)C3=CC(=O)OC3)[C@@H]12)OC(C)=O
|
|
| MolPort-002-512-831 |
0.71 |
CC(=O)OC1CC2(O)C3CCC4CC(CC[C@]4(C)[C@H]3CC[C@]2(C)C1C1=CC(=O)OC1)OC(C)=O
|
|
| MolPort-005-909-750 |
0.71 |
CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1
|
|
| MolPort-006-668-331 |
0.71 |
CC(=O)OC[C@]1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
|
|
| MolPort-028-610-180 |
0.71 |
COC1OC(=O)C(=C1)[C@@H]1CC=C2[C@@]1(C)CCC1[C@@]3(C)C=CC(=O)C(C)(C)C3C[C@@H](OC(C)=O)[C@@]21C
|
|
| MolPort-005-944-878 |
0.70 |
C\C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)C(C)[C@@H]12
|
|
| MolPort-001-741-129 |
0.70 |
CC1=C(CCC(O)=O)[C@@](C)(O)[C@@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-039-052-399 |
0.70 |
CC(C)C(\C)=C\C(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CC[C@H](O)CC3=CC[C@@]2(O)[C@@]2(O)CC[C@@](O)(C(C)=O)[C@@]12C
|
|
| MolPort-005-944-999 |
0.70 |
C\C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H]2[C@@H](C\C(C)=C/C(=O)/C=C1\C)OC(=O)C2=C
|
|
| MolPort-007-549-368 |
0.70 |
CC12CC[C@H]3C(CCC4CC(O)CCC34C)C1(O)CC(O)C2C1=CC(=O)OC1
|
|
| MolPort-002-525-135 |
0.70 |
C[C@]12CCC3[C@@H](CCC4=C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-001-827-199 |
0.70 |
CC12CCC3C(CCC4CC(O)CCC34C)C1(O)CC(O)C2C1=CC(=O)OC1
|
|
| MolPort-001-740-745 |
0.70 |
CC1CC2OC(=O)C(=C)C2CC=C1CCC(C)=O
|
|
| MolPort-002-510-868 |
0.70 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)C[C@H](O)[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-046-690-855 |
0.70 |
[Na+].C[C@H](O)[C@H](C)[C@H]1O[C@@H]2[C@H](CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@@H]2O)C[C@@H]1O
|
|
| MolPort-003-959-668 |
0.70 |
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-046-764-603 |
0.70 |
[2H]C1([2H])OC(=O)C2=C1[C@]1([2H])C[C@@H]3O[C@@]33[C@H](O)C4(O[C@H]4[C@@H]4O[C@]34[C@@]1(C)CC2)C(C)C
|
|
| MolPort-016-638-463 |
0.70 |
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-002-517-064 |
0.70 |
[NH3+]CC(O)C[NH3+].C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-020-005-664 |
0.70 |
CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O
|
|
| MolPort-001-741-130 |
0.70 |
CC1=C2CCC(=O)O[C@@]2(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-001-739-893 |
0.70 |
C[C@H]1[C@H]2C=C([C@@H]3COC(=O)[C@](O)(CO)C23C=C1C)C(O)=O
|
|
| MolPort-035-706-229 |
0.70 |
CC1=C2C[C@H]3[C@](C)(O)CCC[C@]3(C)C[C@]2(O)OC1=O
|
|
| MolPort-002-529-356 |
0.70 |
[NH3+]CCCC[NH3+].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-000-771-103 |
0.70 |
[NH3+]CCCC[NH3+].C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1.C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-044-754-157 |
0.70 |
CCC(C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1CCC[C@]21CO1)C1=CC(=O)OC1
|
|
| MolPort-039-338-801 |
0.70 |
CC([C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C1CC=C(C)C(=O)O1
|
|
| MolPort-000-762-106 |
0.70 |
[NH3+]CC(O)C[NH3+].C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1.C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-021-804-645 |
0.70 |
CC(=O)OC1CCC2(C)CC3(O)OC(=O)C(C)=C3CC2C1=C
|
|
| MolPort-002-507-204 |
0.70 |
C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@H]2OC1=O
|
|
| MolPort-000-700-683 |
0.70 |
C[C@H]1C2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@H]2OC1=O
|
|
| MolPort-046-596-961 |
0.70 |
CC(=O)OC1CC[C@@]2(C)C(CCC3[C@@H]2CC[C@]2(C)[C@@H](CCC32O)C2=CC(=O)OC2)C1
|
|
| MolPort-000-847-946 |
0.70 |
CC12CCC3C(CCC4CC(O)CCC34C)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-010-699-798 |
0.70 |
C[C@@H]1C2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@@H]2OC1=O
|
|
| MolPort-007-549-413 |
0.70 |
CC12CC[C@H]3[C@@H](CCC4CC(O)CCC34C)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-005-945-302 |
0.70 |
C\C=C(/C)C(=O)O[C@@H]1[C@@H](C(C)C)[C@@H](OC(C)=O)C=C(CO)C1=O
|
|
| MolPort-003-351-312 |
0.70 |
CC1C2CCC3(C)C=CC(=O)C(C)=C3C2OC1=O
|
|
| MolPort-002-513-646 |
0.70 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-001-836-303 |
0.70 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1
|
|
| MolPort-006-111-351 |
0.70 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-524-753 |
0.70 |
C[C@]12CCC3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-028-854-624 |
0.70 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-023-274-323 |
0.70 |
C[C@H]1[C@@H](CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(C)=C)OC(C)=O
|
|
| MolPort-002-525-199 |
0.70 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)[C@@H]3CCC2=C1
|
|
| MolPort-038-386-495 |
0.70 |
CC\C=C/CC1C(=O)C=CC1(O)CCCCC1CCC(=O)O1
|
|
| MolPort-042-675-412 |
0.70 |
C[C@@H]1[C@@H]2CCC(C)=C3[C@@H]([C@H]2OC1=O)C(CO)=CC3=O
|
|
| MolPort-027-935-414 |
0.70 |
CC1CC(CCC1=O)C(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C
|
|
| MCULE-2724365529 |
0.70 |
[C@]12(C)[C@H](OC(=O)/C=C(\C)/C(C)C)C[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3(O)[C@@]1(O)CC[C@]2(O)C(C)=O
|
|
| MCULE-2222797068 |
0.70 |
C1C[C@]2(C)[C@@]3([H])C[C@@H](OC(=O)/C=C(/C(C)C)\C)[C@]4(C)[C@](O)(C(C)=O)CC[C@]4(O)[C@]3(O)CC=C2C[C@H]1O
|
|
| MCULE-9289500370 |
0.70 |
C1(=C(CCC(O)=O)[C@](O)(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1)C
|
|
| MCULE-8720311593 |
0.70 |
C1(C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)[C@H](OC(=O)/C(=C\C)/C)C(=CC(=O)C=1)C)C
|
|
| MCULE-2147966582 |
0.70 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1[C@@]2([H])CCC2[C@]1(CO)CC[C@H](O)C=2)C1COC(=O)C=1
|
|
| MCULE-7353523388 |
0.70 |
[C@]12(O)C[C@@H]([C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1)O
|
|
| MCULE-7326161622 |
0.70 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(CO)=O
|
|
| MCULE-8590167000 |
0.70 |
C1(O)CCC2(C)C3CCC4(C)C(C5COC(=O)C=5)C(O)CC4(O)C3CCC2C1
|
|
| MCULE-9975535341 |
0.70 |
C1(=O)OC2C(CC=C(CCC(=O)C)C(C2)C)C1=C
|
|
| MCULE-3581898493 |
0.70 |
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-5702185362 |
0.70 |
[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-8302905584 |
0.70 |
C1CC2CC1C13C4C(C(OC)=O)=C(C(OC)=O)C(C54CC5)C21O3
|
|
| MCULE-3556341827 |
0.70 |
CC(C12C(O)C34C(CC5C(C)(C63C(O6)C1O2)CCC1C(OCC5=1)=O)O4)C
|
|
| MCULE-2476844831 |
0.70 |
C1C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])[C@@](O)(C)C1
|
|
| MCULE-4800012179 |
0.70 |
O=C1CCC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2=C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-4660404446 |
0.70 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)C(C)CC)C4=CC(=O)OC4)[C@@]3([H])C1)CO2
|
|
| MCULE-2751425383 |
0.70 |
O1[C@@]2(O)C[C@@]3(C)CCCC(=C)[C@]3([H])CC2=C(C)C1=O
|
|
| MCULE-9995877189 |
0.70 |
C1C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])C(=C)C1
|
|
| MCULE-6120531049 |
0.70 |
C1CC2(C)CC3(O)OC(=O)C(C)=C3CC2C(=C)C1OC(=O)C
|
|
| MCULE-8131321980 |
0.70 |
C1(=C[C@]2([H])[C@H](C)C(C)=CC32[C@]1(COC(=O)[C@@]3(CO)O)[H])C(O)=O
|
|
| MCULE-8456669141 |
0.70 |
C1(=C2CCC(O[C@@]2(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1)=O)C
|
|
| MCULE-7391544076 |
0.70 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1
|
|
| MCULE-6340794511 |
0.70 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@@H](C2)OC(C)=O)[H])C1COC(=O)C=1
|
|
| MCULE-1542720935 |
0.70 |
C12(O)CCC(C1(C)CCC1C2CCC2C1(C)CCC(O)C2)C1COC(=O)C=1
|
|
| MCULE-5690818300 |
0.70 |
OC12CCC(C3=CC(=O)OC3)C1(CCC1([H])C3(CCCCC3([H])CCC21[H])C)C
|
|
| MCULE-7555892876 |
0.70 |
O=C1OCC([C@@H]2[C@]3(C)[C@]([C@]4([C@@](CC3)([H])[C@]3(C)[C@](C[C@H](CC3)O)([H])CC4)[H])(O)CC2)=C1
|
|
| MCULE-6317272202 |
0.70 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CCC2(C1)[H])C(OC)=O
|
|
| MCULE-2541512222 |
0.70 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([C@]1(C)CC[C@H](O)C2)[H])C1COC(=O)C=1
|
|
| MCULE-4974199679 |
0.70 |
C12[C@@](C)(CC[C@H]3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C
|
|
| MCULE-3223183548 |
0.70 |
C12[C@@](C)(CCC3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C
|
|
| MCULE-8836163795 |
0.70 |
C12CC3CC4CC5C(=O)OC(=O)C=5CC=4CC=3CC=1C(OC2=O)=O
|
|
| MCULE-7515529172 |
0.70 |
C12C(C)(CCC3C(C(=O)OC13)C)C=CC(=O)C=2C
|
|
| MCULE-2255903955 |
0.70 |
O1C([C@@H](C)[C@@H]2CC[C@]3(C=CC(C(C)=C3[C@@H]12)=O)C)=O
|
|
| MCULE-7364536785 |
0.70 |
C(/C(=C/C)/C)(O[C@H]1C(=O)C(CO)=C[C@H](OC(C)=O)[C@@H]1C(C)C)=O
|
|
| MCULE-3752800864 |
0.70 |
CC1C(=O)CCC(C(OCC2[C@H]3C(C)(C)[C@H](C3)CC=2)=O)C1
|
|
| MCULE-9206020628 |
0.70 |
C1CC2=CC(=O)[C@@]3(O[C@@H]3[C@@]2([C@H]([C@@H]1OC(=O)C)C)C)C(=C)C
|
|
| MCULE-3653619374 |
0.70 |
C([O-])(=O)C(CC/C(/Br)=C(/C)\C)=C1[C@H]2C[C@H](C3[C@]4(C)C(CC[C@@]3([C@]2(C[C@@H]1OC(C)=O)C)C)[C@H](C)[C@@H](CC4)O)O
|
|
| MCULE-3700642394 |
0.70 |
C12C(=O)C=C(CO)[C@]1([H])[C@H]1OC(=O)[C@H](C)[C@@H]1CCC=2C
|
|
| MCULE-7772391429 |
0.70 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]12CCC(=O)O1
|
|
| MCULE-4446927847 |
0.70 |
[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-6561827943 |
0.70 |
C1=CC2C(CC(C)C2OC(=O)C)C2C1C(C)C(O)CC1CC(O)=C(C(=O)O1)C2
|
|
| MCULE-6359752884 |
0.70 |
C12C(=O)CC(CC=1CC1(CC2(CC(C1)(C)C)OC(C)=O)C)(C)C
|
|
| MCULE-3305666834 |
0.70 |
[C@H]12OC(=O)C([C@@H]1[C@H](OC(/C(/C)=C/CO)=O)C[C@]1(O)CO[C@@H]3C=C(C)[C@@]2([H])[C@]13[H])=C
|
|
| MCULE-7577519245 |
0.70 |
C1(=O)C(C)=C(CO1)CCCCC(O)C(C)O
|
|
| MCULE-2852293806 |
0.70 |
C12(C)C=CC(=O)OC(C)(C)C1CC(OC(C)=O)C1(C)C3C(=O)OC(C)C(=O)C3(C)C(=C)CC12
|
|
| MCULE-5303288459 |
0.70 |
C12C=C(C)C(=O)C1(O)CC(CO)=CC1C3C(C)(C)C3(OC(CCCCCCCCCCC)=O)CC(C)C12O
|
|
| MCULE-3861744236 |
0.70 |
C12C=C(C)C(=O)[C@@]1(O)CC(CO)=C[C@@]1([H])[C@]3([H])C(C)(C)[C@]3(OC(CCCCCCCCCCCCCCC)=O)C[C@@H](C)[C@@]12O
|
|
| MCULE-3027295931 |
0.70 |
C12C3OC(=O)C(=C)C3CCC(=C)C1CC(OC(=O)C)C2=C
|
|
| MCULE-9364352705 |
0.70 |
C12CC3(CC3)CC=1C(=O)OC2=O
|
|
| MCULE-3099268900 |
0.70 |
C12CC(C)(C)CC31C(O)(CO)C(=O)OCC3C(C(O)=O)=C2
|
|
| MCULE-6482288037 |
0.70 |
C1CC2(C)C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC=C2CC1OC(=O)C=CCC(C)C
|
|
| MolPort-046-697-331 |
0.70 |
CC1CC2C(C=CC3C2CC2=C(O)CC(CC(O)C3C)OC2=O)C1OC(C)=O
|
|
| MolPort-002-800-191 |
0.70 |
CC(=O)OC12CC(C)(C)CC(C)(CC3=C1C(=O)CC(C)(C)C3)C2
|
|
| MolPort-016-638-324 |
0.70 |
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]11[C@]3(O[C@H]3C[C@H]3C4=C([C@@H](O)C[C@]13C)C(=O)OC4)[C@@H]2O
|
|
| MolPort-039-338-537 |
0.70 |
C[C@H](CCCOC(C)=O)C1=C(C)CC2OC(=O)[C@]3(C[C@@]45C(OC(C)=O)[C@@H]3C(C)=C4C[C@H]3[C@H](C[C@@H]5C)OC(=O)C3=C)C2[C@@H]1O
|
|
| MolPort-039-339-221 |
0.70 |
C\C(=C/CO)C(=O)O[C@@H]1C[C@]2(O)CO[C@@H]3C=C(C)[C@H]([C@H]4OC(=O)C(=C)[C@H]14)[C@H]23
|
|
| MolPort-005-944-410 |
0.70 |
CC(O)C(O)CCCCC1=C(C)C(=O)OC1
|
|
| MolPort-021-804-477 |
0.70 |
CCCCCCCCCCCC(=O)OC12CC(C)C3(O)C4C=C(C)C(=O)C4(O)CC(CO)=CC3C1C2(C)C
|
|
| MolPort-021-804-669 |
0.70 |
CCCCCCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@]3(O)C4C=C(C)C(=O)[C@@]4(O)CC(CO)=C[C@H]3[C@@H]1C2(C)C
|
|
| MolPort-046-689-240 |
0.70 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12
|
|
| MolPort-021-804-860 |
0.70 |
CC1OC(=O)C2C3(C)C(CC4C(C)(C=CC(=O)OC4(C)C)C3CC(=C)C2(C)C1=O)OC(C)=O
|
|
| MolPort-046-762-840 |
0.70 |
CC[C@H](C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12
|
|
| MolPort-046-761-029 |
0.70 |
C[C@H](O)[C@@H](C)C(=O)O[C@H]1CC(C)=C2[C@H](C[C@]3(C)CC[C@H](OC(C)=O)C(=C)[C@H]3[C@H](OC(C)=O)[C@H]1C2(C)C)OC(C)=O
|
|
| MolPort-046-689-254 |
0.70 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12
|
|
| MolPort-008-346-699 |
0.70 |
C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-019-937-028 |
0.70 |
CC(=O)OC1CC2C(C3OC(=O)C(=C)C3CCC2=C)C1=C
|
|
| MolPort-005-945-282 |
0.70 |
CC(=O)OC\C(CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MolPort-046-690-853 |
0.70 |
[Na+].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCC\C=C\CCC([O-])=O)[C@H](O)[C@@H]1O
|
|
| MolPort-046-689-861 |
0.70 |
[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
|
|
| MolPort-019-931-805 |
0.70 |
CC1(C)CC2C=C(C3COC(=O)C(O)(CO)C23C1)C(O)=O
|
|
| MolPort-039-338-360 |
0.69 |
CC1(C)CCC[C@@]2(C)[C@H]1CCC1=C2C(=O)O[C@@H]1O
|
|
| MolPort-000-782-854 |
0.69 |
CCCCCCCCCC[NH3+].C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-010-969-189 |
0.69 |
CC1C(O)C2C(CC(C)=C1CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-000-757-740 |
0.69 |
CCCCCCCCCCCC[NH3+].C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-000-763-729 |
0.69 |
[NH3+]CCCCC[NH3+].C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1.C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-044-754-160 |
0.69 |
C\C=C(/C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1[C@@H](CC[C@]21CO1)OC(C)=O)C1=CC(=O)OC1
|
|
| MolPort-002-528-664 |
0.69 |
CCCCCCCCCC[NH3+].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-528-734 |
0.69 |
CCCCCCCCCCCC[NH3+].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-044-754-161 |
0.69 |
C\C=C(/C)C(=O)OC(C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1C(CCC21CO1)OC(=O)C(\C)=C\C)C1=CC(=O)OC1
|
|
| MolPort-002-527-998 |
0.69 |
[NH3+]CCCCC[NH3+].C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-001-742-581 |
0.69 |
C\C=C(\C)C(=O)O[C@H]1C=C(CO)C(=O)[C@H](OC(=O)C(\C)=C\CO)[C@H]1C(C)C
|
|
| MolPort-035-706-023 |
0.69 |
OC[C@H]1[C@H]2[C@@H](OC1=O)C=C(CO)[C@H]2CO
|
|
| MolPort-001-742-234 |
0.69 |
CC(=O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@H]3C[C@H]4OC(=O)C(C)=C4[C@H]4O[C@@]34CC[C@@H]2C1(C)C
|
|
| MolPort-007-549-369 |
0.69 |
CC12C(CCC1(O)C1CCC3CC(O)CCC3(C)[C@H]1CC2O)C1=CC(=O)OC1
|
|
| MolPort-046-682-815 |
0.69 |
C\C=C(/C)C(=O)OC1CC2C(O)CC3(C)C(=CCC4C5CCCC(C)(CO)C5CCC34C)C2CC1(C)C
|
|
| MolPort-035-706-189 |
0.69 |
COC(=O)C(\C)=C1\[C@H]2C3=C(C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6[C@@H](COC(C)=O)[C@@H]5CC5=C(CO)C(=O)O[C@]245)[C@H]2C[C@H]2[C@]3(C)[C@@H](O)C1=O
|
|
| MolPort-001-742-448 |
0.69 |
COC(=O)\C=C(\CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O
|
|
| MolPort-002-509-108 |
0.69 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1CC2O)C1=CC(=O)OC1
|
|
| MolPort-039-338-147 |
0.69 |
C[C@]12CC[C@@H]3[C@@]4(C)CC[C@H](O)C[C@H]4CC[C@@]3(O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-007-549-410 |
0.69 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-507-211 |
0.69 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CCC3C[C@@H](O)CC[C@]3(C)C1C[C@H]2O)C1=CC(=O)OC1
|
|
| MolPort-003-666-004 |
0.69 |
CC12C(CCC1(O)C1CCC3CC(O)CCC3(C)C1CC2O)C1=CC(=O)OC1
|
|
| MolPort-002-507-406 |
0.69 |
C[C@]12CCC3C(CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-002-526-653 |
0.69 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-003-724-684 |
0.69 |
CC12CCC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-508-311 |
0.69 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-004-955-165 |
0.69 |
C[C@@]12[C@H](CC[C@]1(O)[C@@H]1CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]1C[C@H]2O)C1=CC(=O)OC1
|
|
| MolPort-005-944-933 |
0.69 |
CC1=C2C[C@H]3O[C@@]3(C)CCC3O[C@@]3(C)C[C@@]2(O)OC1=O
|
|
| MolPort-039-338-173 |
0.69 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=CC2[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]42C)C3[C@H]1C
|
|
| MolPort-001-740-719 |
0.69 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=CC2[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]42C)C3[C@H]1C
|
|
| MolPort-044-723-187 |
0.69 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3[C@H]1C
|
|
| MolPort-044-723-188 |
0.69 |
C[C@@H]1CC[C@@]23CC[C@]4(C)[C@](OC2=O)(C=C[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3[C@H]1C
|
|
| MolPort-046-761-616 |
0.69 |
[Na+].CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@H](O)C2=C[C@H](O)[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-764-836 |
0.69 |
[Na+].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](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-000-773-895 |
0.69 |
CC1OC(=O)C(C)C1C[C@@H](OC(C)=O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)C(O)C[C@]4(C)C3CC[C@]12C
|
|
| MCULE-3712584936 |
0.69 |
C12C(CC(=C(CCCOC(C)=O)C(C)C1O)C)OC(=O)C2=C
|
|
| MCULE-8163001276 |
0.69 |
C1CC2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CC(OC(=O)/C(/C)=C/C)C4=CC(=O)OC4)[C@@]3([H])C1OC(/C(/C)=C/C)=O)CO2
|
|
| MCULE-3481914833 |
0.69 |
CC(=O)OCCCC1[C@@H](C)[C@@H](O)[C@@]2(C(C(=O)O[C@]2([H])CC=1C)=C)[H]
|
|
| MCULE-2501469853 |
0.69 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)/C(/C)=C/C)C4=CC(=O)OC4)[C@@]3([H])[C@@H]1OC(C)=O)CO2
|
|
| MCULE-6308988715 |
0.69 |
[C@@H]1(OC(=O)/C(/C)=C/CO)[C@H]([C@H](C=C(C1=O)CO)OC(=O)/C(/C)=C\C)C(C)C
|
|
| MCULE-4124934247 |
0.69 |
[C@@]12([H])[C@@H](OC(=O)[C@H]1CO)C=C(CO)[C@@]2([H])CO
|
|
| MCULE-7243993523 |
0.69 |
[C@]12(O)CC[C@@H]([C@@]1(C)CCC1C2CC[C@]2([C@]1(CO)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-2818532213 |
0.69 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C)CC[C@H](O)C2)O)C1COC(=O)C=1
|
|
| MCULE-5124685906 |
0.69 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3(O)CC[C@]2([H])C[C@H]1O
|
|
| MCULE-5598679764 |
0.69 |
O=C1C=C(CO1)C1CCC2(O)C1(C)CCC1C2CCC2(O)CC(O)CCC21C
|
|
| MCULE-2575982393 |
0.69 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C5COC(=O)C=5)CC[C@]4(O)[C@]3([H])CC[C@]2(O)C[C@H]1O
|
|
| MCULE-1316729655 |
0.69 |
CC=C(C)C(OC1CC2C(CC3(C)C(C2CC1(C)C)=CCC1C3(CCC2C1CCCC2(CO)C)C)O)=O
|
|
| MCULE-4697381379 |
0.69 |
C12(O)CCC(C1(C)CCC1C2CCC2(C1(CO)CCC(O)C2)O)C1COC(=O)C=1
|
|
| MCULE-4097681428 |
0.69 |
[C@@H]1(O)C[C@]2([H])[C@](C)(CC1)[C@]1([H])[C@]([H])([C@]3(O)[C@@]([C@H](O)C1)(C)[C@@H](C1=CC(=O)OC1)CC3)CC2
|
|
| MCULE-8328775128 |
0.69 |
C1C[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4(C)[C@](C5=CC(=O)OC5)([H])CC[C@]4(O)[C@]3([H])CC[C@]2([H])C[C@H]1O
|
|
| MCULE-4505044370 |
0.69 |
[Na+].C([O-])(=O)C(CC/C(/Br)=C(/C)\C)=C1[C@H]2C[C@H](C3[C@]4(C)C(CC[C@@]3([C@]2(C[C@@H]1OC(C)=O)C)C)[C@H](C)[C@@H](CC4)O)O
|
|
| MCULE-5993142660 |
0.69 |
C12(O)CCC(C3COC(=O)C=3)C1(C)C(O)CC1C3(C(CC(CC3)O)CCC12)C
|
|
| MCULE-4652104758 |
0.69 |
C1(=C(/C(=O)OC)\C)\[C@]2([H])[C@]34OC(=O)C(CO)=C3C[C@@]3([H])[C@H](COC(=O)C)[C@H]5C[C@H]5[C@]3(C)[C@]4([H])CC3=C2[C@](C)([C@@H]2C[C@@H]23)[C@@H](O)C\1=O
|
|
| MCULE-5937604280 |
0.69 |
C1C2O[C@]2(C[C@]2(O)C(C[C@H]3O[C@@]3(C)C1)=C(C)C(=O)O2)C
|
|
| MCULE-8928562205 |
0.69 |
C(C)(=O)OC1CC(O)C2(CO)C3C(CC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)OC(C)=O
|
|
| MCULE-6377189094 |
0.69 |
C(C)(=O)OC1CC(O)C2(COC(C)=O)C3C(CC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)OC(C)=O
|
|
| MCULE-7065478674 |
0.69 |
C1(CC(CC)CC2=C(CC(CC)CC3=C(CCC(=O)O)C(=O)OC3=O)C(=O)OC2=O)=C(/C=C/CC)C(=O)OC1=O
|
|
| MCULE-5162561663 |
0.69 |
C12=CC(=O)[C@]3([C@](C)(CC([C@H](O)C3)O)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](OC(C)=O)CC1C(C)OC(=O)C1C)[H]
|
|
| MCULE-2320096475 |
0.69 |
C12C3C(C)=CCC3C(CC(OC(C)=O)C1C(C(=O)O2)=C)(C)O
|
|
| MCULE-4810985269 |
0.69 |
[C@@]12([H])OC(=O)C([C@@]1([H])CC=C(/C=C/C(=O)C)[C@@H](C)C2)=C
|
|
| MCULE-8746775494 |
0.69 |
[C@@H]12C3C(C)=CCC3[C@](C[C@H](OC(C)=O)C1C(C(=O)O2)=C)(C)O
|
|
| MCULE-9408406006 |
0.69 |
[C@]123CC=C(C)[C@]1([H])[C@@H]1[C@@H](CC[C@@]2(O3)C)C(C(=O)O1)=C
|
|
| MCULE-7361304189 |
0.69 |
[C@]123CC=C(C)[C@]1([H])[C@@H]1[C@@H](CC[C@@]2(O3)C)C(C(=O)O1)=C
|
|
| MCULE-4340391803 |
0.69 |
CC1[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]3(C)O[C@]23CC=1
|
|
| MCULE-2528413632 |
0.69 |
CC1C(C=CC(C)=O)=CCC2C(C(OC2C1)=O)=C
|
|
| MCULE-5787926051 |
0.69 |
C1CC2COC(C=2C(C1C(C)C)/C=C(\CO)/C(=O)O)=O
|
|
| MCULE-9707855350 |
0.69 |
[C@@]12([H])[C@H](CC(=CC(=O)[C@@]1(C)CC[C@@]2(O)C(C)C)C)OC(=O)C(C)=CC
|
|
| MCULE-9672207738 |
0.69 |
O1[C@]2([H])[C@@]3([H])C(C)=CC[C@@]43O[C@]4(C)CC[C@@]2([H])C(=C)C1=O
|
|
| MCULE-3343469308 |
0.69 |
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-4659340446 |
0.69 |
[C@@]12([H])[C@H](CC(=CC(=O)[C@@]1(C)CCC2(O)C(C)C)C)OC(=O)C(C)=CC
|
|
| MCULE-4145126779 |
0.69 |
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
|
|
| MCULE-4077568356 |
0.69 |
[C@]12(O)C(CCC[C@]1(C)C[C@@H]1[C@H](C2)C(=C)C(O1)=O)=C
|
|
| MCULE-3773780560 |
0.69 |
C1CC2(C)CC3OC(=O)C(=C)C3CC2(O)C(=C)C1
|
|
| MCULE-4960112087 |
0.69 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@@H](C1)[C@@H](O)C[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-1428350503 |
0.69 |
C12C(O)OC(=O)C=1CC(O)(C)C1CC(C)(C)CC1C2O
|
|
| MCULE-8782047011 |
0.69 |
[C@@]12(OC(=O)C)C[C@H]([C@]3(O)[C@]4([H])C=C(C)C(=O)[C@]4(CC(CO)=C[C@@]3([H])[C@]1([H])C2(C)C)O)C
|
|
| MolPort-006-668-185 |
0.69 |
CC(C)C1CCC2=C(C1\C=C(/CO)C(O)=O)C(=O)OC2
|
|
| MolPort-010-969-195 |
0.69 |
CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-002-535-603 |
0.69 |
CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)C(=C)C12
|
|
| MolPort-000-719-373 |
0.69 |
C\C=C(\C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CCC(O)(C(C)C)[C@H]12
|
|
| MolPort-002-509-880 |
0.69 |
C\C=C(/C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12
|
|
| MolPort-023-274-351 |
0.69 |
CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]13
|
|
| MolPort-044-831-066 |
0.69 |
C[C@H]1C[C@@H]2OC(=O)C(=C)C2CC=C1\C=C\C(C)=O
|
|
| MolPort-044-561-746 |
0.69 |
C[C@H]1CC[C@H](OC(C)=O)[C@H]2C=C(C)[C@H]3\C(C)=C\CC\C(C)=C\[C@]4(C)C=C(C)[C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(C)[C@H]12
|
|
| MolPort-039-337-161 |
0.69 |
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
|
|
| MolPort-039-052-387 |
0.69 |
C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1\C=C\C(C)=O
|
|
| MolPort-023-274-350 |
0.69 |
C[C@]12CCCC(=C)[C@]1(O)C[C@H]1[C@@H](C2)OC(=O)C1=C
|
|
| MolPort-029-943-133 |
0.69 |
CC12CCCC(=C)C1(O)CC1C(C2)OC(=O)C1=C
|
|
| MolPort-039-338-306 |
0.69 |
COC(=O)C1=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@H]\1OC(C)=O
|
|
| MolPort-038-386-082 |
0.69 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H]([C@@H](O)C[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-005-945-954 |
0.69 |
CC1(C)CC2C(C1)C(C)(O)CC1=C(C(O)OC1=O)C2O
|
|
| MolPort-001-740-235 |
0.69 |
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
|
|
| MolPort-035-705-926 |
0.69 |
CC1(C)CCC[C@]2(C)[C@@H](C\C=C3/CCOC3=O)[C@]3(CO3)CC[C@@H]12
|
|
| MolPort-044-561-052 |
0.69 |
C[C@@H]1C[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)C(C=C(C)C4=O)C13O)C2(C)C
|
|
| MolPort-006-395-783 |
0.69 |
C[C@@H]1C[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C
|
|
| MolPort-023-276-386 |
0.68 |
CC\C(C=C)=C/C(=O)C[C@H](C)C[C@@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O
|
|
| MolPort-001-740-033 |
0.68 |
C\C=C(/C)C(=O)OC1CCC(=O)OC1\C=C\C(O)C(C)O
|
|
| MolPort-005-944-967 |
0.68 |
C[C@@]1(CO)CCC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CCC12
|
|
| MolPort-005-945-684 |
0.68 |
COC(=O)C1(C)CCCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12
|
|
| MolPort-039-052-550 |
0.68 |
COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)C(=C)CC[C@@H]12
|
|
| MolPort-005-945-683 |
0.68 |
CC12CCCC(C)(C1CCC(=C)C2CCC1=CCOC1=O)C(O)=O
|
|
| MolPort-039-339-220 |
0.68 |
CC1=C[C@@H](O)[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1[C@H](O)C[C@]2(O)CCl
|
|
| MolPort-035-705-906 |
0.68 |
C[C@]12CCC[C@@](C)([C@@H]1CCC(=C)[C@@H]2CCC1=CCOC1=O)C(O)=O
|
|
| MolPort-019-937-286 |
0.68 |
OC1CC2C(C3OC(=O)C(=C)C3CCC2=C)C1=C
|
|
| MolPort-035-705-921 |
0.68 |
C[C@]12CCC[C@@](C)([C@@H]1CCC(=C)[C@@H]2CCC1=CC(=O)OC1O)C(O)=O
|
|
| MolPort-005-945-028 |
0.68 |
C\C=C(\C)C(=O)OC1[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)CC(C)=CC(=O)\C=C1\C
|
|
| MolPort-039-339-156 |
0.68 |
C[C@@H](O)[C@H]1C[C@@H](OC(=O)[C@H]1C)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-027-720-856 |
0.68 |
C[C@H]1OC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-527-443 |
0.68 |
CC1CCC=C2C[C@@H]3OC(=O)C(=C)[C@@H]3C(O)[C@]12C
|
|
| MolPort-002-528-365 |
0.68 |
CC1CCC=C2C[C@H]3OC(=O)C(=C)[C@H]3C(O)[C@]12C
|
|
| MolPort-046-590-058 |
0.68 |
C[C@H]1[C@H](C[C@@H](O)[C@](C)(O)[C@H]2CCC3(O)C4=CC(=O)[C@@H]5C[C@@H](O)[C@@H](O)C[C@]5(C)[C@H]4CC[C@]23C)[C@@H](O)COC1=O
|
|
| MolPort-044-561-427 |
0.68 |
CCCCCCCCCCCCCC1OC(=O)\C1=C/CCCCC(N)=O
|
|
| MolPort-044-561-262 |
0.68 |
C[C@H]1C[C@H]2CC[C@H]3OC(=O)C(=C1)[C@@]23O
|
|
| MolPort-046-763-325 |
0.68 |
CCOC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)[C@H](OC(C)=O)C1=CC3=O
|
|
| MolPort-006-668-381 |
0.68 |
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
|
|
| MolPort-046-790-373 |
0.68 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-005-940-267 |
0.68 |
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H]2O[C@H]2C1
|
|
| MolPort-023-220-504 |
0.68 |
CCOC(=O)C1=CC(OC(CC)CC)C2OC2C1
|
|
| MolPort-005-942-516 |
0.68 |
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H]2O[C@@H]2C1
|
|
| MolPort-046-765-219 |
0.68 |
CCOC(=O)C1=C[C@H](OC(CC)CC)[C@@H]2O[C@@H]2C1
|
|
| MolPort-046-697-234 |
0.68 |
CC[C@@H](C)\C=C\C=C\C(=O)O[C@H]1C=CC2=CC(=O)[C@@](O)(C[C@]2(C)[C@H]1C)C(=C)CO
|
|
| MCULE-8081626398 |
0.68 |
C1(OC(/C=C/C(O)C(C)O)C(CC1)OC(=O)/C(/C)=C/C)=O
|
|
| MCULE-3178410726 |
0.68 |
C1CC(C(O)=O)(C)C2C(C)(C(CCC3=CCOC3=O)C(CC2)=C)C1
|
|
| MCULE-3325335892 |
0.68 |
[C@H]12OC(=O)C([C@@H]1[C@H](O)C[C@](O)(CCl)[C@]1([H])[C@H](O)C=C(C)[C@@]12[H])=C
|
|
| MCULE-3965188829 |
0.68 |
C1C[C@@]2(C(CCC([C@H]2CCC2C(=O)OCC=2)=C)[C@@](CO)(C)C1)C
|
|
| MCULE-1310747899 |
0.68 |
C1C[C@]2(C)[C@@]([H])(CCC3C(=O)OCC=3)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)OC)C1
|
|
| MCULE-7252099279 |
0.68 |
C1CC2(C(CCC(C2CCC2=CCOC2=O)=C)C(C(OC)=O)(C)C1)C
|
|
| MCULE-8091940383 |
0.68 |
C1C[C@]2(C)[C@@]([H])(CCC3C(=O)OCC=3)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)O)C1
|
|
| MCULE-1683005483 |
0.68 |
C1(C(C)=CC(C=C(C[C@@H]([C@@H]2[C@@H]1OC(=O)C2=C)O)C)=O)OC(/C(/C)=C\C)=O
|
|
| MCULE-3017671740 |
0.68 |
C(C)(=O)OC1CC(C2(COC(C)=O)C3C(CC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)OC(C)=O)OC(C)=O
|
|
| MCULE-2104971598 |
0.68 |
C1C[C@]2(C)[C@@]([H])(CCC3=CC(=O)OC3O)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)O)C1
|
|
| MCULE-4401364485 |
0.68 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@](O)(C5COC(=O)C=5)CC[C@]4(O)C3CCC2C[C@H]1O
|
|
| MCULE-2088102696 |
0.68 |
[C@H]12[C@H](CC3[C@@](C)(C([H])(C)CCC=3)C1([H])O)OC(=O)C2=C
|
|
| MCULE-8917764627 |
0.68 |
CC1C(=O)OC(C(O)(C2C3(C)CCC4C5(C)CC(O)C(O)CC5C(=O)C=C4C3(O)CC2)C)CC1C(O)C
|
|
| MCULE-2616323149 |
0.68 |
O=C(CCCC/C=C1/C(CCCCCCCCCCCCC)OC/1=O)N
|
|
| MCULE-2860009537 |
0.68 |
C[C@@H]1C(=O)OC[C@H](O)[C@H]1C[C@H]([C@@]([C@@H]1[C@]2(C)[C@@](C3[C@@](CC2)([H])[C@]2(C)[C@](C[C@H]([C@H](C2)O)O)([H])C(=O)C=3)(O)CC1)(O)C)O
|
|
| MCULE-9098558954 |
0.68 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](O)([C@@H]5OC(=O)[C@@H](C)[C@@]([H])([C@H](O)C)C5)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-9744281698 |
0.68 |
[C@@]12(O)CC[C@H]([C@](O)(C)C[C@@H](O)[C@@]3([H])[C@@H](C)OC(=O)[C@H]3C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C[C@@H]([C@H](O)C[C@@]3([H])C(=O)C=C21)O
|
|
| MCULE-1884014689 |
0.68 |
O=C1OC[C@H](O)[C@@H](C[C@H]([C@](C)(O)[C@@H]2[C@]3(C)C(C4[C@@](CC3)([H])[C@]3(C)[C@](C[C@H]([C@H](C3)O)O)([H])C(=O)C=4)(O)CC2)O)[C@@H]1C
|
|
| MCULE-7138852957 |
0.68 |
[C@@]12([H])[C@@]([H])(CC3[C@@](C)(C([H])(C)CCC=3)C1([H])O)OC(=O)C2=C
|
|
| MCULE-4155630515 |
0.68 |
[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-9798073540 |
0.68 |
O1C(C2[C@]3([C@@](CC[C@@]13[H])([H])C[C@H](C)C=2)O)=O
|
|
| MCULE-6250100613 |
0.68 |
C1(C)CC2CCC3OC(=O)C(C23O)=C1
|
|
| MCULE-8228471643 |
0.68 |
O1[C@@H]2[C@H]1[C@H](OC(CC)CC)C=C(C(OCC)=O)C2
|
|
| MCULE-3918182667 |
0.68 |
C12OC1CC(C(=O)OCC)=CC2OC(CC)CC
|
|
| MCULE-4058521866 |
0.68 |
C1=CC2[C@@](C[C@@](O)(C(CO)=C)C(=O)C=2)(C)[C@@H](C)[C@H]1OC(=O)/C=C/C=C/[C@H](C)CC
|
|
| MCULE-8656866182 |
0.68 |
C12CC(C)(C)CC=1C(=O)OC2=O
|
|
| MCULE-6315971440 |
0.68 |
O1C(=O)C2=C(CCC2)C1=O
|
|
| MCULE-3998827933 |
0.68 |
C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(COC(=O)C)=C1)C
|
|
| MCULE-2276317128 |
0.68 |
C12C3C(C)(CCC(C)(C(OCC=C)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-4587387143 |
0.68 |
C1(C)[C@]2([H])[C@@]3([H])OC(=O)C(=C)[C@]3([H])CCC(C)=C2CC1
|
|
| MCULE-2982639627 |
0.68 |
[C@H]1(C[C@]2(C)C(=CC(=O)O2)C(C)(C)C1)O
|
|
| MCULE-2284846333 |
0.68 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H]([C@@]4([H])CC=C(C)C(=O)O4)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)C
|
|
| MCULE-7302182157 |
0.68 |
C1(=O)C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3O)[C@H](C)CC[C@@]2(C)C(C)=C1
|
|
| MCULE-4994703608 |
0.68 |
C12C3C(OC(C)(C)C)C4C(C3C(C(=O)OC)=C1C(=O)OC)C24
|
|
| MCULE-1507896508 |
0.68 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@@H](OC(=O)C)C4=CC(=O)OC4)[C@@]3([H])C1OC(C)=O)CO2
|
|
| MCULE-2876588696 |
0.68 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(COC(C)=O)=O
|
|
| MCULE-4463956225 |
0.68 |
C1CC2(C)C3CC4(O)OC(=O)C=C4C(C)C3C(O)C(OC(C)=O)C2C(C)(CO)C1
|
|
| MCULE-9013163041 |
0.68 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-7017938550 |
0.68 |
C1C=C(C)CC2(O)OC(=O)C(=C2CC=C(C)C1)C
|
|
| MCULE-5448913970 |
0.68 |
[C@@]123C=C[C@@H]([C@@](C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-5494151913 |
0.68 |
C1=CC23OC(=O)C(C)(C2([H])C(C(O)=O)C24CC([H])(C(=C)C2)CCC43[H])C1O
|
|
| MCULE-2235884727 |
0.68 |
C1=C[C@]23OC(=O)[C@@](C)([C@@]2([H])[C@H](C(O)=O)[C@]24C[C@]([H])(C(=C)C2)CC[C@]43[H])[C@H]1O
|
|
| MCULE-9169992682 |
0.68 |
C123C=CC(C(C(=O)O1)(C)C2C(C12CC(C(C1)(O)CCC23)=C)C(O)=O)O
|
|
| MCULE-2277162868 |
0.68 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-3239458544 |
0.68 |
[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-3799754175 |
0.68 |
C1CC(C)(C)C2C(C)(C1O)C1(C(COC1=O)=CC2OC(CCCCC)=O)O
|
|
| MCULE-2653956413 |
0.68 |
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-5214550861 |
0.68 |
C12C(C)(C)CCC[C@]1(C)OC(=O)C=2
|
|
| MCULE-4858829873 |
0.68 |
CC1(C)C2=CC(O[C@]2(C)CCC1)=O
|
|
| MCULE-7613417621 |
0.68 |
O=C1C(CC[C@H]2[C@@]3(C)[C@]([C@@]([C@@H](CC3)O)(CO)C)([H])CCC2=C)=CCO1
|
|
| MCULE-2185361459 |
0.68 |
O1C(C=C2[C@@]1(C)CCCC2(C)C)=O
|
|
| MCULE-5530658305 |
0.68 |
O1C(C)CCC(O)C=CC(=O)OC(C)CCC(O)C=CC1=O
|
|
| MCULE-1592446720 |
0.68 |
C1C[C@@]2([C@@]([H])([C@@](CO)(C)C1O)CCC(=C)[C@H]2CCC1C(=O)OCC=1)C
|
|
| MCULE-5943290394 |
0.68 |
C1(=O)C=C[C@@H](O)CC[C@@H](C)OC(C=C[C@@H](O)CC[C@@H](C)O1)=O
|
|
| MCULE-5979426935 |
0.68 |
C12C(C)(C)CCCC1(C)OC(=O)C=2
|
|
| MCULE-3090499793 |
0.68 |
C1C[C@@]2(C)[C@@](CCC3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-9966949324 |
0.68 |
[C@H]1(OC(=O)C)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MolPort-039-338-106 |
0.68 |
CO[C@]12O[C@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]3[C@H](OC(=O)C3=C)\C=C1\C)C=C2
|
|
| MolPort-001-740-957 |
0.68 |
CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2COC(C)=O)CC(O)=O
|
|
| MolPort-003-929-501 |
0.68 |
O=C1OC(=O)C2=C1CCC2
|
|
| MolPort-028-609-996 |
0.68 |
C[C@@]12C[C@@H](O)CC(C)(C)C1=CC(=O)O2
|
|
| MolPort-023-274-318 |
0.68 |
C\C(=C/CCC(C)(O)C=C)C1CC=C(C)C(=O)O1
|
|
| MolPort-046-790-415 |
0.68 |
C[C@]12C[C@@H](O)CC(C)(C)C1=CC(=O)O2
|
|
| MolPort-020-006-022 |
0.68 |
C[C@@H]([C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C)[C@H]1CC=C(C)C(=O)O1
|
|
| MolPort-039-338-230 |
0.68 |
C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CCC1=CC(=O)OC1O
|
|
| MolPort-044-754-163 |
0.68 |
C[C@@H]1C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@H](C(CC[C@]22CO2)OC(C)=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=CC(=O)OC1
|
|
| MolPort-005-945-901 |
0.68 |
CC1C2C(O)C(OC(C)=O)C3C(C)(CO)CCCC3(C)C2CC2(O)OC(=O)C=C12
|
|
| MolPort-000-832-956 |
0.68 |
CC1(C)CC([NH3+])CCO1.C[C@]12CC[C@H]3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-002-528-100 |
0.68 |
CC1(C)CC([NH3+])CCO1.C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C([O-])=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-046-790-379 |
0.68 |
C[C@@]1(CCC(=O)O1)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-006-147-884 |
0.68 |
CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C=CC2O)C(=C)C5
|
|
| MolPort-046-764-698 |
0.68 |
CC12C3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-021-804-605 |
0.68 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-039-338-481 |
0.68 |
CC1=C2C=C3CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3C[C@H]2OC1=O
|
|
| MolPort-046-417-140 |
0.68 |
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-002-507-417 |
0.68 |
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=C[C@@H]2O
|
|
| MolPort-039-338-531 |
0.68 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CCC5[C@]3(OC1=O)C=C[C@@H]2O
|
|
| MolPort-003-931-014 |
0.68 |
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=C[C@@H]2O
|
|
| MolPort-005-944-538 |
0.68 |
CCCCCC(=O)OC1C=C2COC(=O)C2(O)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-002-984-651 |
0.68 |
CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(OC1=O)C=CC2O
|
|
| MolPort-046-690-030 |
0.68 |
COC(=O)C1C(O)C2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13
|
|
| MolPort-039-338-545 |
0.68 |
CC1=C2C\C=C(C)\CC\C=C(C)\CC2(O)OC1=O
|
|
| MolPort-046-764-697 |
0.68 |
CC12C3[C@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)C=C[C@@H]2O
|
|
| MolPort-006-121-402 |
0.68 |
CC12CCCC(C)(C)C1=CC(=O)O2
|
|
| MolPort-046-689-703 |
0.68 |
[2H]C([2H])([2H])OC(=O)\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
|
|
| MolPort-001-739-845 |
0.68 |
C[C@@H]1CC[C@H](O)\C=C\C(=O)O[C@H](C)CC[C@H](O)\C=C\C(=O)O1
|
|
| MolPort-046-702-138 |
0.68 |
CC1(CO)C(O)CCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12
|
|
| MolPort-006-069-096 |
0.68 |
COC(=O)\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
|
|
| MolPort-019-992-901 |
0.68 |
C[C@@]12CCCC(C)(C)C1=CC(=O)O2
|
|
| MolPort-001-742-639 |
0.68 |
C[C@@]1(CO)C(O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12
|
|
| MolPort-020-005-706 |
0.68 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12
|
|
| MolPort-027-835-895 |
0.68 |
C[C@]12CCCC(C)(C)C1=CC(=O)O2
|
|
| MolPort-044-754-162 |
0.67 |
C\C=C(/C)C(=O)OC[C@@]12[C@@H](O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1
|
|
| MolPort-044-754-158 |
0.67 |
C\C=C(/C)C(=O)OC[C@@]12[C@H](C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@H]1CCC[C@]21CO1)OC(C)=O
|
|
| MolPort-035-706-205 |
0.67 |
CC(C)[C@H]1[C@H]2C=C(C)[C@H](C[C@H]2[C@H](C)CC1=O)OC(C)=O
|
|
| MolPort-002-799-473 |
0.67 |
CC(=O)OCC1CCCC2=C(C)C(=O)CCC12COC(C)=O
|
|
| MolPort-005-945-900 |
0.67 |
CC1C2C(O)CC3C(C)(CO)CCCC3(C)C2CC2(O)OC(=O)C=C12
|
|
| MolPort-001-739-965 |
0.67 |
COC(=O)C1=CC(O)C(O)C(O)C1
|
|
| MolPort-038-386-086 |
0.67 |
CC1=CC(=O)OC(C)(CC(C)(O)C(O)=O)C1
|
|
| MolPort-027-720-911 |
0.67 |
CCCC[C@@H]1OC(=O)C2=C1CCC=C2
|
|
| MolPort-039-052-280 |
0.67 |
CCCCC1OC(=O)C2=C1CCC=C2
|
|
| MolPort-001-742-309 |
0.67 |
CC1=C2[C@H]3OC(=O)C(=C)[C@]3(O)CC[C@@]2(C)CCC1
|
|
| MolPort-046-683-997 |
0.67 |
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(C)C(=O)O1
|
|
| MolPort-005-944-832 |
0.67 |
CCC(C)CC(=O)OC1C(C(C)C)C(O)C=C(CO)C1=O
|
|
| MolPort-005-945-023 |
0.67 |
C\C=C(\C)C(=O)O[C@H]1[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@H]2C(C)=CC(=O)C2=C1C
|
|
| MolPort-044-561-235 |
0.67 |
C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/CCC1=CC(=O)OC1O
|
|
| MolPort-005-909-529 |
0.67 |
CC1(C2[C@@H]1C1OC2C=C1)C(=O)OCC=C
|
|
| MolPort-046-418-946 |
0.67 |
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC
|
|
| MolPort-035-705-917 |
0.67 |
CC1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(=C)CC[C@@H]12
|
|
| MolPort-019-936-748 |
0.67 |
C[C@@H]1C[C@@H](O)C2[C@@](C)(CO)CCC[C@@]2(C)[C@@]1(O)CCC1=CC(=O)OC1O
|
|
| MolPort-042-675-476 |
0.67 |
CC1CC2(OC(C)=O)C(\C=C(C)\C(O)CC3C(\C=C(C)\C2=O)C3(C)C)C1O
|
|
| MolPort-044-559-903 |
0.67 |
CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-044-561-194 |
0.67 |
CC(C)[C@H]1CC[C@@]2(CO2)[C@@H]2[C@@H]1C=C(COC2=O)C(O)=O
|
|
| MolPort-046-761-028 |
0.67 |
CCCCCCCCCCCCCCCC(=O)OCC1=C[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@]4(C=C(C)[C@H](O)[C@@]4(O)[C@@H]1O)C2=O)C3(C)C
|
|
| MolPort-023-220-614 |
0.67 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@@]3(CC[C@@H]1O)OC2=O)C(=C)C5.C[C@@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@]3(OC1=O)C=C[C@@H]2O)C(=C)C5
|
|
| MolPort-020-014-256 |
0.67 |
CCC(CC)O[C@@H]1C=C(C[C@@H]2O[C@H]12)C(=O)OC
|
|
| MolPort-039-139-007 |
0.67 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](O)[C@@H]1C\C=C/CCCC(=O)O2
|
|
| MolPort-029-943-115 |
0.67 |
C[C@@H]1[C@H]2[C@H](OC1=O)[C@H]1C(CO)=CC(=O)C1=C(C)C[C@@H]2O
|
|
| MolPort-039-338-479 |
0.67 |
CC1=C2[C@H](OC1=O)[C@H](O)[C@H]1[C@]3(C)CCCC(C)(C)[C@H]3CC[C@@]1(O)[C@H]2O
|
|
| MolPort-039-338-478 |
0.67 |
CC1=C2[C@H](OC1=O)[C@H](O)[C@H]1[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]1(O)[C@@H]2O
|
|
| MCULE-4072737339 |
0.67 |
C1CC2(C)C3CC4(O)OC(=O)C=C4C(C)C3C(O)CC2C(C)(CO)C1
|
|
| MCULE-9972205159 |
0.67 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)C[C@H](O)[C@@]2(COC(/C(=C/C)/C)=O)[C@@]2(CO2)C1
|
|
| MCULE-3821215089 |
0.67 |
C1C[C@@]2([C@]3(COC(/C(=C/C)/C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC4=CC(=O)OC4)[C@@]3([H])C1)CO2
|
|
| MCULE-4090607765 |
0.67 |
C1=C(C(OC)=O)C[C@@H](O)[C@H](O)[C@@H]1O
|
|
| MCULE-9592035402 |
0.67 |
OC1C(O)C=C(CC1O)C(OC)=O
|
|
| MCULE-5563929213 |
0.67 |
C1=C(C)CC(C)(CC(O)(C)C(=O)O)OC1=O
|
|
| MCULE-4661795097 |
0.67 |
C1C[C@@]2(CC[C@]3(O)[C@@H](C2=C(C)C1)OC(=O)C3=C)C
|
|
| MCULE-3003712811 |
0.67 |
C(CC(C)CC)(OC1C(C(C)C)C(O)C=C(CO)C1=O)=O
|
|
| MCULE-9958013133 |
0.67 |
C1CC2C(CCCC)OC(=O)C=2C=C1
|
|
| MCULE-8952317949 |
0.67 |
CCCC[C@H]1C2=C(C=CCC2)C(=O)O1
|
|
| MCULE-9495613593 |
0.67 |
C1([C@@]2([H])C(=C(C)[C@@H](OC(=O)/C(=C\C)/C)[C@@H]([C@@H]3[C@@H]2OC(C3=C)=O)O)C(=O)C=1)C
|
|
| MCULE-9801536119 |
0.67 |
C1(C(OCC)=O)C2CCC(C2(C)C)(C)C=1
|
|
| MCULE-9285741650 |
0.67 |
C1C[C@@]2(C([C@@H](C[C@@H](C)[C@]2(O)CCC2=CC(=O)OC2O)O)[C@@](C)(CO)C1)C
|
|
| MCULE-2901288503 |
0.67 |
C1(=O)C(=C)[C@]2([H])CCC(C)=C3CC[C@@](C)(O)[C@]3([H])[C@@]2([H])O1
|
|
| MCULE-7361919999 |
0.67 |
O1C(=O)C(=C)[C@]2([H])CCC(C)=C3[C@@]([H])([C@@]12[H])[C@@](O)(C)CC3
|
|
| MCULE-2972497233 |
0.67 |
C1CC2(C)C3C(=O)CC4(C)C(C5(CO)OC(=O)CC5)CC(O)C4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MCULE-6120787334 |
0.67 |
C12CC34CCCCC3(C=C1)C4C(=O)O2
|
|
| MCULE-6166946540 |
0.67 |
O=C1[C@H]2[C@@H]([C@H](CC[C@@]32OC3)C(C)C)C=C(C(=O)O)CO1
|
|
| MCULE-8663661247 |
0.67 |
C12C=C(C)C(O)CC3C(C)(C)C3C=C(C)C(=O)C1(OC(C)=O)CC(C)C2O
|
|
| MCULE-8026798132 |
0.67 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C5=C(CC(=C(C5CC4C3CC=C2C1)C(OC)=O)C(OC)=O)C(C)=O
|
|
| MCULE-5611461738 |
0.67 |
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].C1=C[C@]23OC(=O)[C@@](C)([C@@]2([H])[C@H](C(O)=O)[C@]24C[C@]([H])(C(=C)C2)CC[C@]43[H])[C@H]1O
|
|
| MCULE-9605632489 |
0.67 |
C12C(=O)C=C(CO)[C@]1([H])[C@H]1OC(=O)[C@H](C)[C@]1([H])[C@@H](O)CC=2C
|
|
| MCULE-1558356423 |
0.67 |
[C@]12(O)C(C)=CC(=O)C1=C(C)CCC1[C@@H]2OC(C1=C)=O
|
|
| MCULE-8914845141 |
0.67 |
C(C)(=O)OC1CCC2(CO)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1
|
|
| MCULE-4678762535 |
0.67 |
C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1
|
|
| MCULE-9797478674 |
0.67 |
C1C(=O)OC(CCCCCC(C(O)C)C)C=1
|
|
| MCULE-3941648652 |
0.67 |
C1(C(O)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-2460567264 |
0.67 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)CCCC)=O
|
|
| MCULE-6887763526 |
0.67 |
[C@@]12([H])CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@H](C[C@]1(C)[C@@](CC[C@@]21[H])(O)C(=O)COC(=O)/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)O
|
|
| MCULE-1354886932 |
0.67 |
C1C[C@@]2([H])C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@@H](C)C1
|
|
| MCULE-4426803651 |
0.67 |
C12(C)C(O)CC(C(=C)C1CC1C(OC(C1=C)=O)C2)O
|
|
| MCULE-9774427702 |
0.67 |
C1(C(O)=O)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-8163822030 |
0.67 |
CC(OC(C1CCCCCC=1)=O)CC#N
|
|
| MCULE-3648597514 |
0.67 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)C)=O
|
|
| MCULE-5561830636 |
0.67 |
C1(=O)C=CC(CCCCCCCCCCCCC)O1
|
|
| MCULE-1371851391 |
0.67 |
C12C(=O)OC(O)C=1CC(OC)(C)C1CC(C)(C)CC1C2O
|
|
| MCULE-6322752441 |
0.67 |
C1[C@@H](O)[C@@](C)(CO)[C@@]2([C@](C)([C@@]([H])(C(=C)CC2)CC(O)C2=CCOC2=O)C1)[H]
|
|
| MCULE-8983467960 |
0.67 |
C1(C(=O)OC2CC(C(CC=C)=C2C)=O)C(C1(C)C)C(C)=CC
|
|
| MCULE-7064805050 |
0.67 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)CCC)=O
|
|
| MCULE-9414880096 |
0.67 |
C1(CC2C=CC(O2)C1)=CC(OC)=O
|
|
| MCULE-2061017881 |
0.67 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)C(C)(C)C)=O
|
|
| MCULE-3268817179 |
0.67 |
C1CC=C(C(=O)OCCCC(=CC(OC)=O)C(OC)=O)C=C1
|
|
| MCULE-6024774190 |
0.67 |
C1C(=O)OC(CCCCCC(CC)(O)C)C=1
|
|
| MCULE-5467493333 |
0.67 |
C1C[C@@]2(C)[C@@](C[C@H](O)C3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-2748824939 |
0.67 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1
|
|
| MolPort-001-741-949 |
0.67 |
OCC(=C)C(=O)O[C@H]1C[C@@]23O[C@@H]2CC\C(CO[C@@H]3O)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-028-744-489 |
0.67 |
COC(=O)C1=CC[C@]23CC[C@H]([C@]2(CC1)C(=O)OC)[C@](C)(OC3=O)\C=C\C=C(/C)C(O)=O
|
|
| MolPort-001-742-459 |
0.67 |
CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@]12O
|
|
| MolPort-046-628-950 |
0.67 |
C[C@@H]1C[C@@H]2CC=C[C@@H](C\C=C/C(=O)O[C@@H](C[C@@H]3O[C@H]3[C@@H](O)CC(=C)C1)[C@@H](O)\C=C\[C@@H]1CC(C)=CCO1)O2
|
|
| MolPort-001-742-346 |
0.67 |
C\C=C(\C)C(=O)O[C@@H]1C[C@@H](OC(=O)C(\C)=C/C)C(C)(C)C2C3C(C)=CC(=O)C2[C@]13C
|
|
| MolPort-015-137-208 |
0.67 |
CC1=C(C(O)=O)C2(CCCCCC2)OC1=O
|
|
| MolPort-029-937-862 |
0.67 |
CC(CC#N)OC(=O)C1=CCCCCC1
|
|
| MolPort-015-137-457 |
0.67 |
CC1=C(C(O)=O)C2(CCCCC2)OC1=O
|
|
| MolPort-046-418-865 |
0.67 |
CC(C)=CCC\C(C)=C\CC\C(C)=C\C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-002-746-632 |
0.67 |
CC12CC3OC(=O)C(=C)C3CC1C(=C)C(O)CC2O
|
|
| MolPort-001-742-347 |
0.67 |
C\C=C(\C)C(=O)O[C@@H]1C[C@@H](OC(=O)CC(C)C)C2(C)C3C(C2C(=O)C=C3C)C1(C)C
|
|
| MolPort-046-764-837 |
0.67 |
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-046-162-881 |
0.67 |
CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](C)\C=C\C=C(/C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](OC(C)=O)\C=C\[C@@H]1C
|
|
| MolPort-001-741-135 |
0.67 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(O)C3=CCOC3=O)C(=C)CC[C@H]12
|
|
| MolPort-023-274-376 |
0.67 |
CC(O)C(C)CCCCCC1OC(=O)C=C1
|
|
| MolPort-023-274-302 |
0.67 |
CCC(C)(O)CCCCCC1OC(=O)C=C1
|
|
| MolPort-046-153-806 |
0.67 |
CC(=O)O[C@@H]1CC2[C@H](OC(=O)C22C3C=CC2(C)C2[C@H]4OC(=O)C(=C)C4CC[C@@](C)(O)C32)C2C(CC=C2C)[C@]1(C)O
|
|
| MolPort-046-697-140 |
0.67 |
CCCC(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2C[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]2OC(=O)[C@@](C)(O)[C@@]12O
|
|
| MolPort-001-740-401 |
0.67 |
C[C@H]1CCC[C@H]2C[C@@]3(O)OC(=O)C(C)=C3C[C@]12C
|
|
| MolPort-039-338-615 |
0.67 |
C[C@H]1CC[C@@H](O)[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
|
|
| MolPort-003-930-247 |
0.67 |
C\C=C(/C)C1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
|
|
| MolPort-039-338-474 |
0.67 |
C[C@]1(CC[C@]2(C)[C@@H](C1)CCC(C)(C)[C@H]1OC(=O)C=C21)C=C
|
|
| MolPort-035-705-925 |
0.67 |
CC1(C)CCC[C@]2(C)[C@@H](C[C@@H](O)C3=CCOC3=O)C(=C)CC[C@@H]12
|
|
| MolPort-046-700-328 |
0.67 |
COC(=O)C1=CCCC(O)C1
|
|
| MolPort-039-052-656 |
0.67 |
CC1(C)CCC[C@]2(C)[C@H]3[C@H](O)OC(=O)C3=CC[C@@H]12
|
|
| MolPort-006-668-483 |
0.67 |
CC(C1CCC(C)(O1)C=C)C(=O)OC\C(C)=C/CCC(C)(O)C=C
|
|
| MolPort-039-141-890 |
0.67 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C[C@H](O)C3=CCOC3=O)C(=C)CC[C@H]12
|
|
| MolPort-028-610-220 |
0.66 |
CC1(C)CCCC2=C1C(=O)OC(=O)C1=CC(C)(CCC21O)C=C
|
|
| MolPort-005-945-455 |
0.66 |
CC1C(O)C2(OC(C)=O)C(C3C=C(CO)CC4C(C=C(C)C4=O)C13O)C2(C)C
|
|
| MolPort-046-765-459 |
0.66 |
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-035-706-335 |
0.66 |
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C
|
|
| MolPort-039-101-193 |
0.66 |
C\C(=C/CO)C(=O)O[C@@H]1C\C(C)=C\CC[C@@]2(C)OC2[C@H]2OC(=O)C(=C)C12
|
|
| MolPort-005-945-522 |
0.66 |
CC(C)CC(=O)OC1C(C(C)C)C(O)C=C(CO)C1=O
|
|
| MolPort-001-742-636 |
0.66 |
C[C@H]1C[C@@]2(OC(C)=O)[C@H]([C@H]1OC(C)=O)[C@@H](OC(C)=O)C(=C)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
|
|
| MolPort-039-338-837 |
0.66 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-001-781-422 |
0.66 |
CC1=C(CCC(O)=O)C(=O)OC1=O
|
|
| MolPort-035-706-337 |
0.66 |
COC(=O)CC[C@]12C[C@]11CC[C@]3(C)[C@H](CC[C@@]3(C)[C@@H]1C[C@H]1OC(=O)C(=C)[C@@H]21)[C@H](C)CC\C=C(/C)C=O
|
|
| MolPort-046-158-398 |
0.66 |
C\C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@H]2CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O
|
|
| MolPort-002-145-630 |
0.66 |
COC(=O)C1CC2=CC(=O)CCC2(C)C2C(O)CC3(C)C(CCC33CCC(=O)O3)C12
|
|
| MolPort-002-525-351 |
0.66 |
CC1CC(=O)C2=C(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12
|
|
| MolPort-023-278-910 |
0.66 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-001-845-394 |
0.66 |
COC(=O)[C@@H]1CC2=CC(=O)CCC2(C)C2[C@H](O)CC3(C)C(CC[C@@]33CCC(=O)O3)C12
|
|
| MolPort-046-697-190 |
0.66 |
CC1CC(O)C2=C(C)C1(C)CC\C(C)=C\CCC1(C)OC1C2=O
|
|
| MolPort-035-706-340 |
0.66 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H]4OC(=O)C(=C)[C@H]4[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
|
|
| MolPort-046-153-753 |
0.66 |
C\C=C(\C)C(=O)OC1C[C@H](C)[C@H]2CC(=O)C(C)=C2C[C@@H]1C(C)(C)OC(C)=O
|
|
| MolPort-005-945-151 |
0.66 |
C[C@H]1CCCC2C(O)C3OC(=O)C(C)=C3C[C@]12C
|
|
| MolPort-039-052-687 |
0.66 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)[C@@H](CO)CC[C@H]12
|
|
| MolPort-006-113-476 |
0.66 |
CCOC(=O)C1=CCCCC1
|
|
| MolPort-019-937-239 |
0.66 |
C[C@@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@H]1C(=C)CC[C@H]2O
|
|
| MolPort-001-742-428 |
0.66 |
C[C@@]12C[C@H]3OC(=O)C(=C)[C@H]3CC1C(=C)CC[C@H]2O
|
|
| MolPort-046-426-267 |
0.66 |
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-046-594-354 |
0.66 |
CC(C)C12OC1C1OC11C3(OC3CC3C4=C(CCC13C)C(=O)OC4)C2=O
|
|
| MolPort-001-742-193 |
0.66 |
COCC1=C2[C@H](C[C@@](C)(OC(C)=O)[C@@]3(O)CC[C@@](C)(O)[C@H](OC(C)=O)C23OC1=O)OC(=O)C(C)=C
|
|
| MolPort-016-638-464 |
0.66 |
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)C2=O
|
|
| MolPort-005-945-020 |
0.66 |
CC(C)=CC(=O)OC1C2OC(=O)C(=C)C2C(O)C2C(C)=CC(=O)C2=C1C
|
|
| MCULE-7170821286 |
0.66 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCOC(C)=O)CCC4C3CC=C2C1
|
|
| MCULE-4498603332 |
0.66 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC=C2C1)C(C)(OC(C)=O)[H]
|
|
| MCULE-2994624081 |
0.66 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(CCC(O)=O)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
|
|
| MCULE-7272779592 |
0.66 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(=O)C(C)=CC
|
|
| MCULE-9485008266 |
0.66 |
[C@]12(O)CC[C@H](C3COC(=O)C=3)[C@@]1(C)[C@@H](CC1[C@@]3([C@]([H])(C[C@H](CC3)OC(C)=O)CC[C@]12[H])C)OC(C)=O
|
|
| MCULE-7838361683 |
0.66 |
[C@H]1(CCCCC)CC=CC(=O)O1
|
|
| MCULE-1286702458 |
0.66 |
[C@@H]1(CCCCC)CC=CC(=O)O1
|
|
| MCULE-5593960668 |
0.66 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)OC(CC)=O
|
|
| MCULE-7005445792 |
0.66 |
C1CC2(C)C(C(C(=O)O)(C)C1)CC=C1C2CC(OC(C)=O)C(C)(C=C)C1
|
|
| MCULE-7018717455 |
0.66 |
C1=C(C(=O)OC)[C@H](OC(C)=O)[C@@H](OC(=O)C(O)(C)C(Cl)C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-3522700950 |
0.66 |
C1C(=O)C2(C)C3CCC4(C)C(O)(C(O)(C)C5CC(C)=C(C)C(=O)O5)CC(O)C4(O)C3CC=C2CC=1
|
|
| MCULE-1140499218 |
0.66 |
C1C(=O)[C@@]2(C3CC[C@@]4(C)[C@@](O)(CCC4(O)[C@]([C@@]4([H])OC(=O)C(C)=C(C)C4)(O)C)[C@]3([H])CC=C2CC=1)C
|
|
| MCULE-2865063085 |
0.66 |
[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-9732331127 |
0.66 |
C(=C(/CC)\C=C\[C@@H]1[C@@H](C)C=CC(=O)O1)\[C@H](C)C/C=C/C(/C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(/C)=C/C(=O)O
|
|
| MCULE-8404556889 |
0.66 |
O=C(C=C(C[C@@H]([C@H]([C@@H](C(=O)[C@@H](C=C(C=CC[C@H](C=C(C=C[C@@H]1OC(=O)C=C[C@@H]1C)CC)C)C)C)C)O)C)C)O
|
|
| MCULE-3288258336 |
0.66 |
CCC(C=CC1C(C)C=CC(=O)O1)=CC(CC=CC(C)=CC(C)C(=O)C(C)C(O)C(C)CC(C)=CC(=O)O)C
|
|
| MCULE-7576822545 |
0.66 |
CCC(C=C[C@H]1[C@@H](C)C=CC(=O)O1)=C[C@@H](CC=CC(C)=C[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)CC(C)=CC(=O)O)C
|
|
| MCULE-5827225386 |
0.66 |
CC/C(/C=C/[C@H]1[C@@H](C)C=CC(=O)O1)=C/[C@@H](C/C=C/C(/C)=C/[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(/C)=C/C(=O)O)C
|
|
| MCULE-2319475587 |
0.66 |
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-4184770590 |
0.66 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](OC(CBr)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-4306149194 |
0.66 |
[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-3842551274 |
0.66 |
C12(OC)OC(=O)C(C)=C1CC1C(=C)C(O)CCC1(C)C2
|
|
| MCULE-3713246373 |
0.66 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@H](OC(CCl)=O)C2)O)C1COC(=O)C=1
|
|
| MCULE-7854744392 |
0.66 |
[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 |
0.66 |
C123C4(C)CCC(=O)C=C4CC(C(OC)=O)C1C1CCC4(CCC(=O)O4)C1(CC2O3)C
|
|
| MCULE-3733595575 |
0.66 |
C(/C)(\C)=C/C1C(C)(C)C1C(=O)OC1CC(=O)C(CC=C)=C1C
|
|
| MCULE-5223496751 |
0.66 |
C1CC2(C)CC3(OC)OC(=O)C(C)=C3CC2C(=C)C1
|
|
| MCULE-1434186647 |
0.66 |
C1CC2(C)CC3(OC)OC(=O)C(C)=C3CC2C(=C)C1OC(=O)C
|
|
| MCULE-5172881076 |
0.66 |
C12(O)CCC(C3COC(=O)C=3)C1(C)CCC1([H])C2([H])CCC2(O)CC(CCC12C=O)OC(CBr)=O
|
|
| MCULE-9182352754 |
0.66 |
C1C2OC2C=CC(C(C)(C)C(=O)OC1CC(CCC)O)O
|
|
| MCULE-9798772296 |
0.66 |
O=C(C1CCCCC=1)OC1CCC2(OCCO2)CC1
|
|
| MCULE-3169829105 |
0.66 |
C12[C@H]3OC(C(=C)C3[C@@H](CC(=CCC[C@]1(O2)C)C)OC(=O)/C(/C)=C/CO)=O
|
|
| MCULE-2600806760 |
0.66 |
C1CC2C3(O)CCC(C)(C=C)C=C3C(=O)OC(=O)C=2C(C)(C)C1
|
|
| MCULE-8538526232 |
0.66 |
O(C(C)=O)C12C(C)(C)C1C1C(O)(C(C)C2O)C2C=C(C)C(C2CC(CO)=C1)=O
|
|
| MCULE-8485365768 |
0.66 |
C1=CC2C3(OCCO3)C1C1C(OC(=O)C)C=CC12
|
|
| MCULE-3743818837 |
0.66 |
C1=C(CO)C(C(OC(=O)CC(C)C)C(C1O)C(C)C)=O
|
|
| MCULE-1412860330 |
0.66 |
[C@]12(O)CC[C@@H]([C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([C@]1(C=O)CC[C@@H](C2)ON(=O)=O)[H])C1COC(=O)C=1
|
|
| MCULE-9544967893 |
0.66 |
O=C1C=CC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-1003112205 |
0.66 |
C12(O)CCC([C@@]1(C)CC[C@@]1([H])C2([H])CCC2([C@]1(C=O)CCC(C2)ON(=O)=O)[H])C1COC(=O)C=1
|
|
| MCULE-8321853166 |
0.66 |
C1C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(=C2C)C1O
|
|
| MCULE-1564688046 |
0.66 |
O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1/C=C/[C@@H](O)CCCCC
|
|
| MCULE-9566808009 |
0.66 |
[C@]12([H])CC(=O)C(C)=C1C[C@H](C(OC(C)=O)(C)C)C(OC(/C(=C\C)/C)=O)C[C@@H]2C
|
|
| MCULE-8954390569 |
0.66 |
C=C1C(=O)OC[C@]2(CCC[C@@]3(C[C@@H](O)[C@@H]1C=C23)C)[H]
|
|
| MCULE-4547933367 |
0.66 |
C1CC2C(O)C3OC(=O)C(C)=C3C[C@]2(C)[C@H](C1)C
|
|
| MCULE-1759828525 |
0.66 |
[C@H]12[C@@]([H])(CCC(C)=C3C(CC(C)[C@]13[H])=O)[C@@H](C(=O)O2)C
|
|
| MCULE-8024539765 |
0.66 |
O=C(OC)[C@H]1[C@]2([H])[C@@]([C@@H](C[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)O)([H])[C@]2(C)C(=CC(=O)CC2)C1
|
|
| MCULE-6004210718 |
0.66 |
C12(C)CC(O)C3C(C(C(OC)=O)CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1
|
|
| MCULE-3574561675 |
0.66 |
C1[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@]5(CCC(=O)O5)CC[C@@]4([H])[C@]3([H])[C@H](C(OC)=O)CC2=CC(=O)C1
|
|
| MCULE-5939300673 |
0.66 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])C[C@H]1OC(=O)C(=C)[C@@H]21
|
|
| MCULE-5004121327 |
0.66 |
[C@]12(CCC(=O)OC)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])C[C@H]1OC(=O)C(=C)[C@@H]21
|
|
| MCULE-1230724012 |
0.66 |
O1C(=O)C(=C(CCC(O)=O)C1=O)C
|
|
| MCULE-5929092480 |
0.66 |
[C@@]12(C)CCCC(CO)(CO)[C@@]1([H])CC[C@H](CO)[C@@]2([H])CCC1=CCOC1=O
|
|
| MCULE-2357370492 |
0.66 |
C1C[C@@]2(C)[C@@](CCC3C(=O)OCC=3)([H])[C@@H](CO)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-9003778755 |
0.66 |
O1C(=O)C(=C)C2C1C(C(=C1C(C(C)=CC1=O)C2O)C)OC(=O)/C=C(\C)/C
|
|
| MCULE-6388085128 |
0.66 |
CC(C12C(=O)C34OC3CC3C(C)(CCC5C(=O)OCC=53)C34OC3C1O2)C
|
|
| MCULE-8736767988 |
0.66 |
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-7796629536 |
0.66 |
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-6664839966 |
0.66 |
C12(C)C=C(C)C(OC1C1C2(C)C=C(C(=O)O1)C)=O
|
|
| MCULE-7237926274 |
0.66 |
C1CC2(C)C3C(O)OC(=O)C=3C(O)CC2C(C)(C)C1
|
|
| MCULE-2178544437 |
0.66 |
[C@@H]1([C@@]2([H])[C@](C)([C@@H](OC(=O)/C(/C)=C\C)[C@@]3([C@@H](C(=O)O[C@@H]3C1)C)[H])C(C=C2)=O)C
|
|
| MCULE-8693881242 |
0.66 |
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-3300544479 |
0.66 |
C1C(=O)[C@@]2(CC[C@]3([H])[C@@H]([C@@]2([H])[C@@](O)(C)C=1)OC(=O)[C@H]3C)C
|
|
| MCULE-9643911455 |
0.66 |
C1(OCC2COC(C=21)CCCCCCC(C)C)=O
|
|
| MCULE-1671560839 |
0.66 |
[C@@]12(CCC(C=C1CCC1C2CC[C@]2(C1CCC2C(C)=O)C)=O)COC(CCC(O)=O)=O
|
|
| MCULE-9439093573 |
0.66 |
[C@H]12[C@@H](CC[C@@]3(C)C(C=C[C@@](C)(O)[C@]13[H])=O)[C@@H](C(=O)O2)C
|
|
| MCULE-9050797198 |
0.66 |
C12C(O)CC3C=CC(C=C1C(OC)=O)C32
|
|
| MCULE-6037100028 |
0.66 |
O(C1C(C=CC2(C)CC=CCC21)=O)C(C)=O
|
|
| MCULE-6721748919 |
0.66 |
C1(OCC2COC(CCCCCCC)C=21)=O
|
|
| MCULE-1052258564 |
0.66 |
[C@H]1(OC(=O)C)C[C@@]2([H])[C@H](C)CC(=O)/C(=C(\C)/C)/[C@@]2([H])C=C1C
|
|
| MCULE-7025819167 |
0.66 |
C12C(CCC3(C)C(C=CC(C)(O)C13[H])=O)C(C(=O)O2)C
|
|
| MCULE-3168594210 |
0.66 |
O[C@H]1C[C@@](C)(C=C)[C@H](C(=C)CO)[C@H]2OC(=O)C(=C)[C@@H]21
|
|
| MCULE-3605854604 |
0.66 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)=C([H])C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3193343372 |
0.66 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=CC
|
|
| MCULE-4824022658 |
0.66 |
C1C(O)[C@]2([H])C(=C)C(=O)O[C@]2([H])C(C(C)=C)C1(C=C)C
|
|
| MolPort-039-338-527 |
0.66 |
C[C@H](C[C@H](OC(C)=O)[C@H]1OC1(C)C)[C@]12O[C@H]1C[C@@]1(C)C2=CC(=O)[C@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C
|
|
| MolPort-044-561-115 |
0.66 |
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
|
|
| MolPort-046-765-474 |
0.66 |
C[C@]12CC[C@]34OC(=O)[C@H](CC5=CC(=O)CC[C@]35C)C4[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-005-945-746 |
0.66 |
C\C=C(\C)C(=O)O[C@H]1[C@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]13C)OC(=O)[C@H]2C
|
|
| MolPort-035-706-192 |
0.66 |
CC1(C)CCC[C@@]2(C)[C@H]1C[C@H](O)C1=C2[C@H](O)OC1=O
|
|
| MolPort-046-762-519 |
0.66 |
CC(=O)O[C@]1(CC[C@@H]2[C@@H]3[C@H]4O[C@H]4C4=CC(=O)[C@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-006-668-578 |
0.66 |
CC1(C)CCCC2(C)C1CC(O)C1=C2C(O)OC1=O
|
|
| MolPort-002-834-775 |
0.66 |
CC1=CC2(C)C(OC1=O)C1OC(=O)C(C)=CC21C
|
|
| MolPort-044-179-830 |
0.66 |
C[C@H]1C2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
|
|
| MolPort-002-527-248 |
0.66 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3C2C[C@@H](OC(C)=O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1
|
|
| MolPort-005-945-240 |
0.66 |
C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@@](C)(O)C=CC3=O
|
|
| MolPort-005-944-261 |
0.66 |
CC(C)CCCCCCC1OCC2=C1C(=O)OC2
|
|
| MolPort-019-936-876 |
0.66 |
CC(=O)OC\C=C(/C)C(CC1C(=C)C(OC(C)=O)C(=O)C2C(C)(C)C(O)CCC12C)OC(C)=O
|
|
| MolPort-005-944-258 |
0.66 |
CCCCCCCC1OCC2=C1C(=O)OC2
|
|
| MolPort-002-507-199 |
0.66 |
C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
|
|
| MolPort-042-646-608 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C/C
|
|
| MolPort-046-596-376 |
0.66 |
CC(=O)OC1CC[C@@]2(C)C(CCC3[C@@H]2CC(OC(C)=O)[C@]2(C)C(CCC32O)C2=CC(=O)OC2)C1
|
|
| MolPort-039-338-576 |
0.66 |
CC(=C)C1[C@H]2OC(=O)C(=C)[C@H]2C(O)CC1(C)C=C
|
|
| MolPort-001-740-741 |
0.66 |
C[C@]1(C[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@H]1C(=C)CO)C=C
|
|
| MolPort-035-706-200 |
0.66 |
C[C@@H]1CC(=O)C([C@H]2C=C(C)[C@H](C[C@@H]12)OC(C)=O)=C(C)C
|
|
| MolPort-003-855-493 |
0.66 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(\C)=C/C
|
|
| MolPort-002-511-669 |
0.66 |
CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(=O)CCC(O)=O
|
|
| MolPort-002-530-359 |
0.66 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C(\C)=C/C
|
|
| MolPort-002-512-074 |
0.66 |
CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(COC(=O)CCC(O)=O)C3CC[C@]12C
|
|
| MolPort-003-712-637 |
0.66 |
C\C=C(/C)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-001-742-706 |
0.66 |
CC(=O)OC1CC2C(CC1(C)C=C)=CCC1C2(C)CCCC1(C)C(O)=O
|
|
| MolPort-039-338-307 |
0.66 |
COC(=O)C1=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)(O)C(C)Cl)[C@H]\1OC(C)=O
|
|
| MolPort-001-740-937 |
0.66 |
CC1=C(C)C(=O)O[C@@H](C1)[C@](C)(O)C1(O)CC[C@@]2(O)[C@@H]3CC=C4CC=CC(=O)[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-521-598 |
0.66 |
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
|
|
| MolPort-042-675-309 |
0.66 |
CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CC(O)C2(O)C3CC=C4CC=CC(=O)C4(C)C3CCC12C
|
|
| MolPort-030-082-365 |
0.66 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(CCC34C=O)OC(=O)CBr)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-035-394-839 |
0.66 |
COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13
|
|
| MolPort-002-528-550 |
0.66 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](CC[C@]34C=O)OC(=O)CBr)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-006-393-950 |
0.66 |
[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-029-943-059 |
0.66 |
COC12CC3(C)CCC(OC(C)=O)C(=C)C3CC1=C(C)C(=O)O2
|
|
| MolPort-027-846-178 |
0.66 |
C[C@]12CCC3C(CCC4(O)CC(CC[C@]34C=O)OC(=O)CBr)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-003-986-216 |
0.66 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
|
|
| MolPort-006-167-612 |
0.66 |
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-030-082-378 |
0.66 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(CCC34C=O)OC(=O)CCl)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-001-785-571 |
0.66 |
CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
|
|
| MolPort-042-683-898 |
0.66 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)C13
|
|
| MolPort-046-596-383 |
0.66 |
C[C@]12CCC3C(CCC4(O)CC(CC[C@]34C=O)OC(=O)CCl)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-003-949-758 |
0.66 |
CC\C(\C=C\[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C\C=C\C(\C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C\C(C)=C\C(O)=O
|
|
| MolPort-002-529-448 |
0.66 |
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](CC[C@]34C=O)OC(=O)CCl)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-027-853-579 |
0.66 |
COC12CC3(C)CCCC(=C)C3CC1=C(C)C(=O)O2
|
|
| MolPort-023-276-297 |
0.66 |
CC\C(\C=C\[C@@H]1OC(=O)C=C[C@@H]1C)=C/[C@H](C)C\C=C\C(\C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C\C(C)=C\C(O)=O
|
|
| MolPort-046-697-346 |
0.66 |
CCCC(O)CC1CC2OC2\C=C\C(O)C(C)(C)C(=O)O1
|
|
| MolPort-029-943-082 |
0.66 |
COC12CC3(C)CCC(O)C(=C)C3CC1=C(C)C(=O)O2
|
|
| MolPort-019-937-301 |
0.66 |
CC\C=C/CC1=C(CCCCC2CCC(=O)O2)C(CC1=O)OC
|
|
| MolPort-029-924-741 |
0.66 |
O=C(OC1CCC2(CC1)OCCO2)C1=CCCCC1
|
|
| MolPort-002-528-190 |
0.65 |
CCCCCCCCC1CCC2C3CC=C4C[C@@H](CC[C@@]4(C)C3CC[C@@]12C)OC(=O)C(\C)=C(/C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3CC=C2C1
|
|
| MolPort-000-775-527 |
0.65 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C(/C)C(=O)O[C@@H]1CC[C@@]2(C)C3CC[C@@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
|
|
| MolPort-035-706-277 |
0.65 |
COC(=O)C(\C)=C1\[C@H]2C3=C(C[C@H]4[C@@]5(C)[C@@H]6C[C@@H]6[C@@](O)(COC(=O)C(\C)=C\C)[C@@H]5CC5=C(CO)C(=O)O[C@]245)[C@H]2C[C@H]2[C@]3(C)[C@@H](O)C1=O
|
|
| MolPort-002-524-702 |
0.65 |
C\C=C(/C)C(=O)O[C@H]1[C@H]2[C@H](C[C@@]3(C)[C@H](O)CC[C@@](C)(O)C13)OC(=O)C2=C
|
|
| MolPort-001-742-285 |
0.65 |
CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O
|
|
| MolPort-001-742-436 |
0.65 |
C[C@@]1(O)CC[C@H]2[C@H]1CC1[C@H](CC2=C)OC(=O)C1=C
|
|
| MolPort-046-761-048 |
0.65 |
CC(=O)OCC1=C2CC\C(C)=C\C[C@H](O)\C(C)=C\[C@H]2OC1=O
|
|
| MolPort-002-527-463 |
0.65 |
C[C@H]1[C@@H]2CC[C@](C)(O)C3[C@H]4[C@H]5[C@H](O)[C@@]6(C)O[C@@]7(C)CC[C@H]8[C@H](C)C(=O)O[C@@H]8C6([C@H]4C(C)=C3[C@H]2OC1=O)C57
|
|
| MolPort-005-944-536 |
0.65 |
CCCCCC(=O)OC1C=C2COC(O)C2(O)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-038-386-581 |
0.65 |
CC1(C)CCCC2(C)C1C(OC(=O)\C=C\C(O)=O)C=C1COC(=O)C21O
|
|
| MolPort-039-101-235 |
0.65 |
C\C=C(\C)C(=O)OC1C\C(C)=C\CCC2(CO)OC2C2OC(=O)C(=C)C12
|
|
| MolPort-016-638-434 |
0.65 |
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-044-561-715 |
0.65 |
CC(C)CC(=O)O[C@H]1C[C@@]2(CO)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@]2(C)[C@]32CO2)C=C1C
|
|
| MolPort-005-945-904 |
0.65 |
COC12CC3C(C(O)C(OC(C)=O)C4C(C)(C)C(CCC34C)OC(C)=O)C(C)C1=CC(=O)O2
|
|
| MolPort-019-937-419 |
0.65 |
CO[C@@]12CC3[C@@H]([C@@H](O)[C@@H](OC(C)=O)C4[C@](C)(COC(C)=O)CCC[C@]34C)[C@@H](C)C1=CC(=O)O2
|
|
| MolPort-003-846-182 |
0.65 |
[Na+].CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C\C=C\C([O-])=O)[C@@H]12
|
|
| MolPort-027-853-559 |
0.65 |
CCC1OC(=O)C(C)CC(C)C(=O)\C(C)=C\C(C)C(=O)\C=C\C1(C)O
|
|
| MolPort-003-846-187 |
0.65 |
[Na+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C\C=C\C([O-])=O)[C@@H]12
|
|
| MolPort-035-706-361 |
0.65 |
CC1=CC[C@H](OC1=O)C(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]2(C)CC[C@H]2C(C)(C)[C@]3(O)CC[C@]12CO3
|
|
| MolPort-039-339-046 |
0.65 |
C[C@@]1(CCC(=O)O1)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-019-931-744 |
0.65 |
CCCC(O)CC1CC(O)\C=C\C(O)C(O)C(C)(C)C(=O)O1
|
|
| MolPort-046-419-228 |
0.65 |
CCOC(=O)C1=CC2CCC1O2
|
|
| MolPort-027-720-870 |
0.65 |
CC1C2CCC3(C)C(=O)CCC(C)=C3C2OC1=O
|
|
| MolPort-001-741-249 |
0.65 |
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
|
|
| MolPort-002-509-690 |
0.65 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3CCC2=C1
|
|
| MolPort-021-804-814 |
0.65 |
CC1C2CCC3C(C)(C)CCC(O)C3(C)C2CC2(O)OC(=O)C=C12
|
|
| MolPort-029-924-742 |
0.65 |
CC(C)(COC(=O)C1=CCCCC1)C#N
|
|
| MolPort-038-386-565 |
0.65 |
CCCCCCCCCCCC(O)CC(O)CC(O)CC(O)CC1CC=CC(=O)O1
|
|
| MolPort-023-331-412 |
0.65 |
CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H]5C[C@@H]5C4=O)[C@@H]3[C@@H](O)C=C2C1
|
|
| MolPort-029-999-415 |
0.65 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3CCC2=C1
|
|
| MCULE-1077978348 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=C(C)C(=O)O[C@@H]1CC[C@@]2(C(=CCC3C2CC[C@@]2(C3CCC2CCCCCCCC)C)C1)C
|
|
| MCULE-2563487662 |
0.65 |
[C@]12(C)[C@H](O)CC[C@@](C)(O)C1[C@H]([C@@H]1C(C(=O)O[C@H]1C2)=C)OC(=O)C(C)=CC
|
|
| MCULE-8850427155 |
0.65 |
C1(=C(/C(=O)OC)\C)\[C@]2([H])[C@]34OC(=O)C(CO)=C3C[C@@]3([H])[C@](O)(COC(=O)/C(/C)=C/C)[C@H]5C[C@H]5[C@]3(C)[C@]4([H])CC3=C2[C@](C)([C@@H]2C[C@@H]23)[C@@H](O)C\1=O
|
|
| MCULE-1374093397 |
0.65 |
C1=CC2CC1C1C(COC(=O)C)=CC12
|
|
| MCULE-9395429387 |
0.65 |
C1C(O)C2(C(C3C(CC2)C(C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-4464120365 |
0.65 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)OC(C)=O
|
|
| MCULE-9964052623 |
0.65 |
C1(=O)O[C@@H]2C(C[C@@]3([C@]([H])(CC[C@@]3(C)O)C(=C)C2)[H])C1=C
|
|
| MCULE-2780089397 |
0.65 |
C1(C)(/C=C/C(CCC(O)=O)(O)C)C2CCC(=O)OC(C)(C)C2CC1
|
|
| MCULE-1111304263 |
0.65 |
C1CC(C)(C)C2C(C)(C1O)C1(C(COC1O)=CC2OC(CCCCC)=O)O
|
|
| MCULE-8808813613 |
0.65 |
C1CC2(C)C3(O)C(=O)OCC3=CC(OC(/C=C/C(=O)O)=O)C2C(C)(C)C1
|
|
| MCULE-4603475177 |
0.65 |
C1C=C(C)CC(OC(=O)/C(/C)=C\C)C2C(=C)C(=O)OC2C2OC2(CO)C1
|
|
| MCULE-2745275424 |
0.65 |
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-1882447244 |
0.65 |
C1CC2(C)C3CC4(OC)OC(=O)C=C4C(C)C3C(O)C(OC(C)=O)C2C(C)(C)C1OC(=O)C
|
|
| MCULE-9093728561 |
0.65 |
C1C[C@]2(C)C3C[C@@]4(OC)OC(=O)C=C4[C@H](C)[C@]3([H])[C@@H](O)[C@@H](OC(C)=O)C2[C@@](COC(=O)C)(C)C1
|
|
| MCULE-9196010352 |
0.65 |
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-2931298979 |
0.65 |
C1(C=CC(CCC(O)C(C)=C)(C)CC=C(CO)C(=O)C=CC1(O)C)OC(=O)/C=C(\C)/C
|
|
| MCULE-2126738487 |
0.65 |
C1=CC(O)(C(OC(C(CC(C)C(=O)C(=CC(C)C1=O)C)C)=O)CC)C
|
|
| MCULE-9779909061 |
0.65 |
O=C1C(=C)[C@@]2(CCC(=C3[C@@]([H])([C@@]2([H])O1)C(C)=CC3=O)C)[H]
|
|
| MCULE-2062809477 |
0.65 |
[C@@H]1(C)CC[C@@H](O)C=CC(=O)O[C@H](C)[C@@H](O)C=CC(=O)O1
|
|
| MCULE-7829335047 |
0.65 |
C12OC(CC1)C=C2C(OCC)=O
|
|
| MCULE-2588682863 |
0.65 |
C1C(OC(=O)C(C)(C)C(C(O)C=CC1O)O)CC(CCC)O
|
|
| MCULE-2060297166 |
0.65 |
C1C(O)C2(C)C3CC4(O)OC(=O)C=C4C(C)C3CCC2C(C)(C)C1
|
|
| MCULE-5994274398 |
0.65 |
CC(C#N)(COC(C1CCCCC=1)=O)C
|
|
| MCULE-1819290201 |
0.65 |
[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](OC(C)=O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-5179814934 |
0.65 |
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
|
|
| MCULE-7365003259 |
0.65 |
C1CC2(C)C(C(OC(/C=C/C=C/C=C/C)=O)C=C(C2(O)C(=O)O)C=O)C(C)(C)C1
|
|
| MCULE-2234048518 |
0.65 |
CC1([C@H](CC[C@@]2([C@]3(C(=O)C=C4[C@@](C)(CC[C@]5(C)[C@@]4([H])C[C@@](C)(C(=O)[O-])CC5)[C@]3(C)CC[C@@]12[H])[H])C)OC(=O)CCC(=O)[O-])C
|
|
| MCULE-9718510983 |
0.65 |
[C@@]123C[C@@]4([H])[C@](C[C@@]1(C)CCC[C@]2(O3)C)([H])OC(=O)C4=C
|
|
| MCULE-1396534041 |
0.65 |
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-9207728452 |
0.65 |
CC1(C2CCC3(C4(C)C(C5C(CC4)(C)CCC(C(=O)O)(C)C5)=CC(=O)C3C2(C)CCC1OC(CCC(=O)O)=O)C)C
|
|
| MCULE-8234847813 |
0.65 |
[C@]12([H])C(=O)C=C3[C@]4([H])C[C@@](CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)OC(=O)CCC([O-])=O)C)(C)C([O-])=O
|
|
| MCULE-8920532684 |
0.65 |
[C@]12(O)[C@H](C)[C@@]3([H])CC[C@@](C)(O1)[C@]1([C@]([H])([C@@]4([H])[C@@](C1)([H])C(C(O)=O)=C[C@]1([H])[C@H]([C@H](C)[C@@H](O)[C@]41[H])OC(C)=O)[C@@]2([H])C(O3)=O)[H]
|
|
| MCULE-4645844021 |
0.65 |
C1(O)(CCC(O)=O)OC(CC1=CC(O)=O)=O
|
|
| MCULE-2678037862 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@]4([H])CC(=O)CC[C@]34C)C1=CC=C2C1COC(=O)C=1)[H]
|
|
| MCULE-5390730136 |
0.65 |
O1C2(CCC=C(C(OCC)=O)C2)OCC1
|
|
| MCULE-3415626329 |
0.65 |
C(=C1/C(O)C=C(C)C/1=O)/C(O)(C)CC/C=C(\C)/C1CC=C(C)C(=O)O1
|
|
| MCULE-3449642272 |
0.65 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(C2=C1)OC(C)=O)C(COC(C)=O)=O
|
|
| MCULE-1816798318 |
0.65 |
C12(C)CCC(C(C)(COC(C)=O)C1CCC(=C)C2CC(OC(C)=O)C1=CCOC1=O)OC(C)=O
|
|
| MCULE-2480467856 |
0.65 |
O=C1C=CC2(CCC32C=CC(=O)O3)O1
|
|
| MCULE-8902402936 |
0.65 |
CC1([C@@H]2C(COC(C3C4OC(CC4)C3)=O)=CC[C@H]1C2)C
|
|
| MCULE-2237975878 |
0.65 |
[C@]12(OC(=O)C=C1)[C@@]1(C=CC(=O)O1)CC2
|
|
| MCULE-5275177846 |
0.65 |
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-3806067009 |
0.65 |
[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-9641361394 |
0.65 |
[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-4276889182 |
0.65 |
[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-6517626137 |
0.65 |
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-9101975825 |
0.65 |
C1CC2(C)C3C(=O)CC4(C)C(C5(C)CCC(=O)O5)CC(O)C4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-5935925259 |
0.65 |
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-7128824049 |
0.65 |
[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-6033104668 |
0.65 |
O1C(=O)C(CC(O)C)=CC1C(C)O
|
|
| MCULE-3176715940 |
0.65 |
CC1CC(C)(C)CC(OC(CC2OCCC2)=O)C=1
|
|
| MCULE-5920266438 |
0.65 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3O)[C@H](C)C[C@H](O)[C@@]2(C)C(CO)=C1
|
|
| MCULE-1400269697 |
0.65 |
C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
|
|
| MCULE-6609866523 |
0.65 |
[C@@H]12[C@]3([H])C(=C)CC[C@@]3([H])C(CC[C@H]1C(C(=O)O2)=C)=C
|
|
| MCULE-2410723097 |
0.65 |
[C@]12([H])C(=C)CC[C@@]1([H])C(=C)CC[C@@]1([H])C(C(=O)O[C@]21[H])=C
|
|
| MCULE-4461233711 |
0.65 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC(O)=O)=O)C1CC=C2C(C)=O
|
|
| MCULE-1631535635 |
0.65 |
O1C2CCCC31C=CC1(C)C(C(C)CCC(OC)=O)CCC1C3CCC(C)(C2)[H]
|
|
| MCULE-3657815830 |
0.65 |
[C@@H]12[C@@]3([H])C(=C)CC[C@@]3([H])C(CC[C@H]1C(C(=O)O2)=C)=C
|
|
| MCULE-1084105274 |
0.65 |
O1C(C(=C)[C@H]2CCC(=C)[C@H]3CCC(=C)[C@H]3[C@H]12)=O
|
|
| MCULE-1873003390 |
0.65 |
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-9894416903 |
0.65 |
C1CC2(C)C3(CCC(C=C)(C)C=C3C(O)=O)OC(=O)C2C(C)(C)C1
|
|
| MCULE-3117365017 |
0.65 |
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
|
|
| MolPort-019-939-202 |
0.65 |
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-046-702-694 |
0.65 |
CC(=O)OCC12C(O)C(=O)C(C)=CC1OC1C(O)CC2(C)C11CO1
|
|
| MolPort-046-426-155 |
0.65 |
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-028-602-674 |
0.65 |
CCOC(=O)\C=C1/C[C@@]2(C)C(CC[C@]3(C)C2CCC2C4[C@H]5OC[C@@]4(CCC5(C)C)CC[C@@]32C)C(C)(C)C1=O
|
|
| MolPort-039-336-702 |
0.65 |
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-002-513-613 |
0.65 |
C[C@@]12CCC[C@]3(C)C[C@H]4OC(=O)C(=C)[C@H]4C[C@@]13O2
|
|
| MolPort-021-804-638 |
0.65 |
C[C@@H]1[C@@H](O)[C@H]2[C@H](C=C([C@H]3C[C@@H]4[C@H]([C@H]23)[C@H]2C(=O)O[C@@H]3CC[C@@]4(C)O[C@]2(O)[C@@H]3C)C(O)=O)[C@H]1OC(C)=O
|
|
| MolPort-044-755-257 |
0.65 |
CC(=O)O[C@H]1CCC2[C@H]3CCC4=C(CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]2(C)C1)C(C)=O
|
|
| MolPort-039-338-480 |
0.65 |
CC1=C2[C@H]3O[C@]33CC[C@@H]4C(C)(C)CCC[C@@]4(C)[C@@H]3[C@@H](O)[C@H]2OC1=O
|
|
| MolPort-002-517-213 |
0.65 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)C1=CC=C2C1=CC(=O)OC1
|
|
| MolPort-002-327-340 |
0.65 |
OC(=O)CCC1(O)OC(=O)C\C1=C/C(O)=O
|
|
| MolPort-046-596-771 |
0.65 |
CC12CC[C@H]3C(CCC4CC(=O)CCC34C)C1=CC=C2C1=CC(=O)OC1
|
|
| MolPort-023-274-418 |
0.65 |
C\C(=C/CCC(C)(O)\C=C1/C(O)C=C(C)C1=O)C1CC=C(C)C(=O)O1
|
|
| MolPort-046-762-859 |
0.65 |
CC\C=C/CC1=C(C)[C@H](CC1=O)OC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C
|
|
| MolPort-044-559-309 |
0.65 |
CCOC(=O)C1=CCCC2(C1)OCCO2
|
|
| MolPort-020-006-010 |
0.65 |
O=C1O[C@@]2(CC[C@@]22OC(=O)C=C2)C=C1
|
|
| MolPort-035-742-837 |
0.65 |
CC1(C)[C@@H]2C[C@H]1C(COC(=O)C1CC3CCC1O3)=CC2
|
|
| MolPort-002-800-229 |
0.65 |
CC(=O)OCC1(C)C(CCC2(C)C(CC(OC(C)=O)C3=CCOC3=O)C(=C)CCC12)OC(C)=O
|
|
| MolPort-003-983-809 |
0.65 |
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
|
|
| MolPort-003-959-790 |
0.65 |
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
|
|
| MolPort-044-561-064 |
0.65 |
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
|
|
| MolPort-001-740-739 |
0.65 |
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
|
|
| MolPort-001-740-737 |
0.65 |
CCCCCC(=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
|
|
| MolPort-035-834-808 |
0.65 |
CC1=CC(CC(C)(C)C1)OC(=O)CC1CCCO1
|
|
| MolPort-039-338-215 |
0.65 |
C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CCC1=CC(=O)OC1O
|
|
| MolPort-001-739-511 |
0.65 |
CC(O)CC1=CC(OC1=O)C(C)O
|
|
| MolPort-046-418-658 |
0.65 |
CC1=CCC2=C(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
|
|
| MolPort-046-153-149 |
0.65 |
CC1(CCC(=O)O1)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-001-740-239 |
0.65 |
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-006-668-666 |
0.65 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(C)C)C=C
|
|
| MolPort-046-762-538 |
0.65 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C=CC4=O)[C@@H]3CC=C2C1
|
|
| MolPort-046-793-021 |
0.65 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CCC4=O)C3[C@@H](O)C=C2C1
|
|
| MolPort-002-514-801 |
0.65 |
CC(=O)C1=CCC2C3CC[C@H]4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC(O)=O
|
|
| MolPort-005-945-241 |
0.65 |
COC(=O)C(C)C1CCC2(C)C(C1O)C(C)(O)C=CC2=O
|
|
| MolPort-019-992-810 |
0.65 |
C=C1CCC2C1C1OC(=O)C(=C)C1CCC2=C
|
|
| MolPort-006-822-624 |
0.65 |
C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C
|
|
| MolPort-005-945-744 |
0.64 |
C[C@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2OC(=O)C(C)=C)OC1=O
|
|
| MolPort-046-673-798 |
0.64 |
COC(=O)C1=CC2CC\C=C/CCC12
|
|
| MolPort-042-675-333 |
0.64 |
CCC\C=C\C=C\C(=O)O[C@@H]1C[C@H]2[C@@H](\C=C(C)\C(=O)[C@]3(C[C@@H](C)[C@H](O)[C@@H]3\C=C1/C)OC(C)=O)C2(C)C
|
|
| MolPort-046-697-316 |
0.64 |
CC1OC(=O)C2(C1=O)C(=C)C(C)(CC1=C(C)C3(CCC21C)C=CC(=O)OC3(C)C)C(O)=O
|
|
| MolPort-044-811-198 |
0.64 |
CCCC(=O)OC[C@]1(C)C=C(C=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@@]3(CC[C@@]12C)C(=O)OC
|
|
| MolPort-001-742-429 |
0.64 |
C[C@H]1C[C@H](O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
|
|
| MolPort-001-742-402 |
0.64 |
CC(=O)OCC1=CCC2C(C)(C)CCCC2(C)C11CCC(C)(CC(O)=O)O1
|
|
| MolPort-039-145-144 |
0.64 |
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-042-675-285 |
0.64 |
CC1(C)CCCC2(C)C1C(OC(=O)CCC(O)=O)C=C1COC(=O)C21O
|
|
| MolPort-006-668-663 |
0.64 |
CC1(CC(OC(=O)C(=C)C(O)CO)C(C(O)C1C(=C)CO)C(=C)C(O)=O)C=C
|
|
| MolPort-002-535-598 |
0.64 |
CC1OC(OC2CC[C@]3(C=O)[C@H]4[C@H](O)C[C@]5(C)[C@@H](CCC5(O)C4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O
|
|
| MolPort-006-668-664 |
0.64 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(=C)C(O)CO)C=C
|
|
| MolPort-044-183-181 |
0.64 |
CCCCC[C@@H](O)\C=C\[C@@H]1C[C@@H](O)[C@H]2OC(=O)C[C@@H]12
|
|
| MolPort-007-549-397 |
0.64 |
CC1OC(OC2CCC3(C=O)[C@H]4[C@H](O)CC5(C)C(CCC5(O)[C@@H]4CCC3(O)C2)C2=CC(=O)OC2)C(O)C(O)C1O
|
|
| MolPort-005-933-646 |
0.64 |
[Na+].[Na+].CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C([O-])=O)OC(=O)CCC([O-])=O
|
|
| MolPort-039-338-977 |
0.64 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-002-510-540 |
0.64 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-002-116-802 |
0.64 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC(C)=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-003-892-390 |
0.64 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-046-598-125 |
0.64 |
CCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-528-163 |
0.64 |
CCC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-046-761-598 |
0.64 |
[Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C(=O)C=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C([O-])=O)OC(=O)CCC([O-])=O
|
|
| MolPort-035-706-364 |
0.64 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-002-506-971 |
0.64 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-006-106-573 |
0.64 |
[Na+].[Na+].CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C([O-])=O)OC(=O)CCC([O-])=O
|
|
| MolPort-046-156-417 |
0.64 |
C[C@@]12C[C@@H](OC1=O)[C@]1(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1C2
|
|
| MolPort-046-153-153 |
0.64 |
CO[C@]12C[C@](C)(O)[C@H]3CC[C@](C)(O)[C@H]3CC1=C(C)C(=O)O2
|
|
| MolPort-002-526-956 |
0.64 |
C\C=C(\C)C(=O)O[C@H]1CC(C)=C2[C@@H]([C@H]3OC(=O)[C@H](C)[C@H]13)C(C)=CC2=O
|
|
| MolPort-002-525-134 |
0.64 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C)=C4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-046-596-237 |
0.64 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C)=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-039-338-282 |
0.64 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-008-268-236 |
0.64 |
C[C@H]1[C@H](O)CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(=C)CO
|
|
| MolPort-044-754-164 |
0.64 |
C\C=C(/C)C(=O)OC1CCC(O)(CCl)[C@]2(COC(C)=O)[C@H](C[C@@H](C)[C@](C)(C[C@@H](O)C3=CC(=O)OC3)[C@@H]12)OC(C)=O
|
|
| MolPort-046-596-254 |
0.64 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)C3C=CC2=C1
|
|
| MolPort-019-937-063 |
0.64 |
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-035-705-834 |
0.64 |
CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2C[C@@H]1OC(C)=O
|
|
| 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-002-525-233 |
0.64 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)[C@@H]3C=CC2=C1
|