| MolPort-001-742-311 |
0.97 |
C\C1=C/CC\C(=C\CC\C(C)=C\C2OC(=O)C(=C)C2CC1)C(O)=O
|
|
| MCULE-3320650867 |
0.97 |
C1(CCC=C(C)CCC2C(C=C(CCC=1)C)OC(=O)C2=C)C(=O)O
|
|
| MCULE-3762190089 |
0.96 |
C1(=O)O[C@H]2[C@@H](CCC(CO)=CCCC(COC(C)=O)=C2)C1=C
|
|
| MolPort-001-742-456 |
0.96 |
CC(=O)OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CC\C(CO)=C\CC1
|
|
| MCULE-9208930385 |
0.93 |
C1(=O)OC2C(CCC(C)=CCC(O)C(C)=C2)C1=C
|
|
| MCULE-9301632354 |
0.93 |
C1(=O)O[C@]2([C@@]([H])(CCC(C)=CCCC(C)=C2)C1=C)[H]
|
|
| MCULE-2058016705 |
0.93 |
C1(=O)O[C@H]2[C@@H](CCC(C)=CCCC(C)=C2)C1=C
|
|
| MolPort-046-701-494 |
0.93 |
CC1=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-044-561-229 |
0.93 |
C\C1=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-009-758-696 |
0.93 |
C\C1=C\CC\C(C)=C/[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-016-633-200 |
0.93 |
CC1=CCC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-002-524-221 |
0.93 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MCULE-7505841337 |
0.90 |
C1(=O)O[C@H]2[C@@H](CCC(=C)[C@@H](CCC(C)=C2)O)C1=C
|
|
| MolPort-001-740-398 |
0.89 |
CC1[C@@H]2CC\C(=C\CC\C(C)=C\[C@H]2OC1=O)C(O)=O
|
|
| MolPort-001-740-438 |
0.88 |
C\C1=C/CCC2=CC(C\C(C)=C\C3OC(=O)C(=C)C3CC1)OC2=O
|
|
| MCULE-1414577822 |
0.88 |
C12=CC(OC1=O)CC(C)=CC1OC(=O)C(=C)C1CCC(C)=CCC2
|
|
| MCULE-8617095272 |
0.88 |
C1(=O)O[C@H]2[C@@H]([C@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-6232978473 |
0.88 |
C1(=O)O[C@H]2[C@@H]([C@@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MolPort-001-742-457 |
0.88 |
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 |
0.88 |
OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C\C(C=O)=C/CC1
|
|
| MolPort-046-762-705 |
0.86 |
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
|
|
| MCULE-1022445986 |
0.86 |
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
|
|
| MolPort-039-338-370 |
0.86 |
CC1=C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@H]1CC[C@]2(C)O
|
|
| MolPort-001-739-739 |
0.86 |
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
|
|
| MCULE-9705119087 |
0.85 |
[H][C@@]12CCC(C)=CCCC(C)=C[C@@]1([H])OC(=O)C2
|
|
| MolPort-046-762-702 |
0.84 |
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-046-690-262 |
0.84 |
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-046-765-335 |
0.84 |
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-046-762-703 |
0.84 |
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-046-761-503 |
0.84 |
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
|
|
| MCULE-8148008657 |
0.84 |
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-2738564503 |
0.84 |
C1CC(C)(C)C2C(C)(C(CC/C(/COC(=O)C)=C\C(=O)O)C(C=O)=CC2O)C1
|
|
| MolPort-005-945-288 |
0.84 |
CC(=O)OC\C(CCC1C(C=O)=CC(O)C2C(C)(C)CCCC12C)=C\C(O)=O
|
|
| MolPort-005-945-281 |
0.84 |
CC(=O)OC\C(CC[C@@H]1C(C)=CC(=O)[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MolPort-001-741-161 |
0.83 |
CC(C)=CCC\C(=C\CC\C(C)=C\CC\C(COC(C)=O)=C\COC(C)=O)C(O)=O
|
|
| MCULE-8124558417 |
0.83 |
C/C(=C/CC/C(=C/CC/C(/C)=C/CC/C(=C/COC(C)=O)/COC(C)=O)/C(O)=O)/C
|
|
| MCULE-4668660484 |
0.83 |
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-4654267035 |
0.83 |
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-8921610933 |
0.83 |
[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-1659372694 |
0.83 |
[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
|
|
| MolPort-038-942-576 |
0.83 |
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-039-338-228 |
0.83 |
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@@H]2OC1=O
|
|
| MolPort-001-934-122 |
0.83 |
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 |
0.83 |
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-044-723-304 |
0.83 |
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-046-764-551 |
0.83 |
[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-044-723-717 |
0.83 |
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 |
0.83 |
CC1C(O)CCC2(C)C1CCC1(C)C2C(O)CC2\C(C(CC12C)OC(C)=O)=C(\CCC=C(C)C)C([O-])=O
|
|
| MolPort-005-944-045 |
0.82 |
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-005-945-283 |
0.82 |
CC(=O)OC\C(CC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MCULE-2094560228 |
0.82 |
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-7501478721 |
0.82 |
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-6831179748 |
0.82 |
[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-9599862192 |
0.82 |
[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 |
0.82 |
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-9055590032 |
0.82 |
[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
|
|
| MolPort-002-524-580 |
0.82 |
[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-000-707-568 |
0.82 |
[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 |
0.82 |
[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-023-333-208 |
0.82 |
[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-003-938-775 |
0.82 |
[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-019-937-184 |
0.82 |
CC(C)CC(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-019-937-555 |
0.82 |
CC(C)CC(=O)OC1CC(C=O)=CCC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-019-937-557 |
0.82 |
CCC(C)C(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-021-804-824 |
0.81 |
C\C1=C/C2OC(=O)C(=C)C2C(O)C\C(CO)=C\CC1
|
|
| MolPort-046-158-474 |
0.81 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C1
|
|
| MolPort-039-338-614 |
0.81 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1
|
|
| MolPort-002-911-074 |
0.81 |
CC(=O)OC12CCC(=O)C=C1CCC1C3CCC(=O)C3(C)CCC21
|
|
| MolPort-004-963-698 |
0.81 |
CC(C)(C)C(=O)OCC1=CC(=O)[C@@H]2C[C@H]1C2(C)C
|
|
| MolPort-046-676-753 |
0.81 |
O=C1OC(=O)C2=CCCCC12
|
|
| MolPort-023-221-547 |
0.81 |
CC12CCCC=C1C(=O)OC2=O
|
|
| MCULE-1159348886 |
0.81 |
C1=C(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-4824360118 |
0.81 |
C12(OC(=O)C)CCC(=O)C=C1CCC1C3CCC(=O)C3(CCC21)C
|
|
| MCULE-9952768892 |
0.81 |
C1(=O)CC2C(C(=C1)COC(=O)C)(C)CCC(C)C2(CCC(CC(O)=O)C)C
|
|
| MCULE-8873828930 |
0.81 |
C1=CC2(C)CCC3C(=C)C(=O)OC3C2=C(C)C1=O
|
|
| MCULE-6089943254 |
0.81 |
C1(=O)O[C@H](C)CCCC=C[C@@]2([H])CC(=O)C[C@]2([H])[C@@H](O)C=C1
|
|
| MolPort-001-742-676 |
0.81 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2COC(C)=O)CC(O)=O
|
|
| MolPort-038-386-730 |
0.81 |
C[C@@H]1CCC\C=C\[C@H]2CC(=O)C[C@@H]2[C@@H](O)\C=C\C(=O)O1
|
|
| MolPort-020-005-698 |
0.80 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C)=C\[C@@H](O)C1
|
|
| MolPort-004-964-842 |
0.80 |
CCCCC1OC(=O)C2=CCCCC12
|
|
| MolPort-046-158-543 |
0.80 |
CC1(C)CCC[C@]2(C)[C@H]3COC(=O)C3=CC[C@@H]12
|
|
| MolPort-001-742-574 |
0.80 |
CC1=C2[C@@H]3OC(=O)C(=C)[C@@H]3CC(=O)[C@@]2(C)CCC1
|
|
| MCULE-1566350070 |
0.80 |
C1=C(C)C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)C[C@@H]1O
|
|
| MCULE-6440147345 |
0.80 |
O1C(C2=CCCCC2C1CCCC)=O
|
|
| MCULE-5751414985 |
0.80 |
[C@@H]12OC(C(=C)[C@@H]1CC([C@@]1(C)CCCC(C)=C21)=O)=O
|
|
| MCULE-8302542414 |
0.80 |
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-4827912965 |
0.80 |
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-4827454681 |
0.80 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O
|
|
| MCULE-9817372120 |
0.80 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)=O
|
|
| MCULE-1216188840 |
0.80 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(C2=C1)=O
|
|
| MolPort-001-740-663 |
0.80 |
CC1CC(O)C2C(OC(=O)C2=C)C2=C(C)C(=O)CC12
|
|
| MolPort-044-545-969 |
0.79 |
C[C@H]1[C@@H]2CCC(C)=C[C@@H]2OC1=O
|
|
| MolPort-039-052-392 |
0.79 |
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-039-052-722 |
0.79 |
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-042-675-367 |
0.79 |
C\C(=C/CO)C(=O)OC1C\C(C)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-021-804-785 |
0.79 |
CC1CC\C=C(C)\CC2OC(=O)C(C)=C2CC1=O
|
|
| MCULE-3709898565 |
0.79 |
C1C=C(C)CC(OC(=O)/C(/C)=C/CO)C2C(=C)C(=O)OC2C=C(CO)C1
|
|
| MCULE-3037222806 |
0.79 |
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-6799888455 |
0.79 |
C1C=C(C)CC2OC(=O)C(C)=C2CC(=O)C(C)C1
|
|
| MCULE-1089229934 |
0.79 |
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
|
|
| MCULE-6443674630 |
0.79 |
C1=CC2C3C(COC(=O)C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-7326161622 |
0.79 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(CO)=O
|
|
| MolPort-001-742-445 |
0.78 |
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-039-339-219 |
0.78 |
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-001-740-199 |
0.78 |
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-046-158-459 |
0.78 |
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-039-339-218 |
0.78 |
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-006-668-351 |
0.78 |
CC1=C2C3OC(=O)C(=C)C3C(O)CC2(C)CCC1
|
|
| MolPort-046-792-816 |
0.78 |
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-046-627-212 |
0.78 |
CCC(C)C(=O)OC1C\C(COC(C)=O)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-005-945-282 |
0.78 |
CC(=O)OC\C(CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)CCC[C@@]12C)=C\C(O)=O
|
|
| MolPort-044-724-399 |
0.78 |
CC1CCC=C2C1C(=O)OC2=O.CC1CCCC2=C1C(=O)OC2=O
|
|
| MCULE-8569314397 |
0.78 |
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-2930807712 |
0.78 |
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 |
0.78 |
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 |
0.78 |
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-6663461828 |
0.78 |
C1C=C(COC(C)=O)CC(OC(=O)C(C)CC)C2C(=C)C(=O)OC2C=C(CO)C1
|
|
| MCULE-6359752884 |
0.78 |
C12C(=O)CC(CC=1CC1(CC2(CC(C1)(C)C)OC(C)=O)C)(C)C
|
|
| MCULE-1234424378 |
0.78 |
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-7379430730 |
0.78 |
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-2969817322 |
0.78 |
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 |
0.78 |
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 |
0.78 |
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 |
0.78 |
C1(=O)O[C@H]2[C@@H]([C@H](CC3=CC(CC(C)=C2)OC3=O)OC(=O)C(C)=C)C1=C
|
|
| MolPort-002-800-191 |
0.78 |
CC(=O)OC12CC(C)(C)CC(C)(CC3=C1C(=O)CC(C)(C)C3)C2
|
|
| MolPort-001-742-448 |
0.78 |
COC(=O)\C=C(\CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@@]12C)COC(C)=O
|
|
| MolPort-039-338-309 |
0.78 |
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-039-052-716 |
0.78 |
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 |
0.78 |
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 |
0.78 |
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-001-742-567 |
0.78 |
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-039-338-296 |
0.78 |
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-005-943-994 |
0.77 |
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-001-740-719 |
0.77 |
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 |
0.77 |
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-039-338-173 |
0.77 |
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-044-723-188 |
0.77 |
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-001-741-296 |
0.77 |
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-039-052-501 |
0.77 |
C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1[C@H](CC(C)=O)OC(C)=O
|
|
| MolPort-039-338-233 |
0.77 |
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@]2(O)OC1=O
|
|
| MolPort-001-739-842 |
0.77 |
CC1=C2CC3C(=C)C(O)CCC3(C)CC2OC1=O
|
|
| MolPort-023-220-734 |
0.77 |
CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@@H]2OC1=O
|
|
| MolPort-027-853-729 |
0.77 |
CC1=C2CC3C(=C)CCCC3(C)CC2OC1=O
|
|
| MCULE-2041000423 |
0.77 |
[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-2089176275 |
0.77 |
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-1699204347 |
0.77 |
C1(=O)C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])C(C)=C1
|
|
| MCULE-1120014260 |
0.77 |
[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-7048270500 |
0.77 |
C1CC2(C)CC3OC(=O)C(C)=C3CC2C(=C)C1O
|
|
| MCULE-1338496475 |
0.77 |
C1=C(C)C[C@@H](OC(=O)C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-6504048226 |
0.77 |
C1C=C(C)CC(OC(=O)C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-5823109002 |
0.77 |
C1=CC2C3C=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-7768501355 |
0.77 |
C1=CC2C3C(C)=C(COC(=O)C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-6534243824 |
0.77 |
C1=CC2C3C=C(C(=O)OC)C3C1C1C(=O)OC(=O)C12
|
|
| MolPort-019-937-562 |
0.77 |
CC(=O)OC1C\C(C)=C\CC\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-035-706-238 |
0.77 |
CC(=O)O[C@@H]1C\C(C)=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-006-391-771 |
0.77 |
COC(C)CC(=O)C1=C(C)C(CCC1(C)C)OC(C)=O
|
|
| MolPort-046-765-314 |
0.77 |
CCCCCCCCCCC[C@@H]1CC=C(CCCCCC)C(=O)O1
|
|
| MolPort-021-804-692 |
0.76 |
CC1CCC23COC(=O)C2=CC(O)CC3C1(C)CCC1=CC(=O)OC1O
|
|
| MolPort-001-742-309 |
0.76 |
CC1=C2[C@H]3OC(=O)C(=C)[C@]3(O)CC[C@@]2(C)CCC1
|
|
| MolPort-001-740-742 |
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)C(O)CO
|
|
| MCULE-4661795097 |
0.76 |
C1C[C@@]2(CC[C@]3(O)[C@@H](C2=C(C)C1)OC(=O)C3=C)C
|
|
| MCULE-2562455528 |
0.76 |
C1(O)CC2C(C)(CCC3=CC(=O)OC3O)C(C)CCC32COC(=O)C3=C1
|
|
| MCULE-7181833804 |
0.76 |
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-9035965650 |
0.76 |
C1(C=CCCCCCCCC)CCCCCCC(=O)O1
|
|
| MCULE-7803701147 |
0.76 |
C1C2C3C4C(=O)OC(C=CC23)C4C=1
|
|
| MCULE-7772391429 |
0.76 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]12CCC(=O)O1
|
|
| MCULE-1305866944 |
0.76 |
O1C2C(C3CCCC=3C1=O)CCCC2
|
|
| MCULE-3052348589 |
0.76 |
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-3732438270 |
0.76 |
C(O)(C12C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC1(O)CC(O)CC2)=O
|
|
| MCULE-2876588696 |
0.76 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(COC(C)=O)=O
|
|
| MCULE-3449742522 |
0.76 |
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
|
|
| MolPort-002-525-199 |
0.76 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)[C@@H]3CCC2=C1
|
|
| MolPort-039-338-801 |
0.76 |
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-005-944-608 |
0.76 |
CC(=O)OC1CC2C(C=C1C)C(C(CC2(C)O)OC(=O)C(\CO)=C\CO)C(=C)C(O)=O
|
|
| MolPort-001-742-398 |
0.76 |
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-001-740-257 |
0.76 |
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
|
|
| MolPort-035-705-816 |
0.75 |
CC(C)C1=CC(=O)C2=C(CC[C@H]3C4=C(CC[C@]23C)C(=O)OC4)C1=O
|
|
| MolPort-001-740-994 |
0.75 |
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-039-101-234 |
0.75 |
C\C=C(\CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-101-233 |
0.75 |
C\C=C(/CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-046-761-036 |
0.75 |
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-001-742-576 |
0.75 |
CC(C)C(=O)OCC1=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C2C(C1)OC(=O)C2=C
|
|
| MolPort-004-955-162 |
0.75 |
C[C@H]1CCC\C=C\C2C[C@H](O)C[C@H]2[C@H](O)\C=C\C(=O)O1
|
|
| MolPort-001-739-555 |
0.75 |
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 |
0.75 |
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-046-590-297 |
0.75 |
C[C@H]1CCC\C=C/C2C[C@H](O)C[C@H]2[C@H](O)\C=C/C(=O)O1
|
|
| MolPort-002-227-778 |
0.75 |
CC1CCC\C=C\C2CC(O)CC2C(O)\C=C\C(=O)O1
|
|
| MolPort-046-761-891 |
0.75 |
C[C@H]1CCC\C=C/[C@@H]2C[C@H](O)C[C@@H]2C(O)\C=C\C(=O)O1
|
|
| MolPort-046-701-388 |
0.75 |
C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)C=CC(=O)O1
|
|
| MolPort-046-153-176 |
0.75 |
COCC1C2CC\C(C)=C\CC\C(C)=C\C2OC1=O
|
|
| MCULE-5558502153 |
0.75 |
C1CC(C(=O)OCC2C(=C)C2)=CCC1
|
|
| MCULE-6477809398 |
0.75 |
C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])C2COC(=O)C1=2
|
|
| MCULE-4351037464 |
0.75 |
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-9072555005 |
0.75 |
C1(O)C=C(C)CC(OC(=O)/C(/CO)=C\C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-7388224086 |
0.75 |
C12C(CC(=C(C(C)CCCOC(C)=O)[C@H]1OC(C)=O)COC(C(C)C)=O)OC(=O)C2=C
|
|
| MCULE-8432569167 |
0.75 |
C1(O)C=C(C)CC(OC(=O)/C(/CO)=C/C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-3094170088 |
0.75 |
O=C1C=C[C@@H](O)[C@@]2([H])[C@](C[C@@H](C2)O)([H])C=CCCC[C@H](C)O1
|
|
| MCULE-1898871437 |
0.75 |
C12CC(CC1C=CCCCC(C)OC(=O)C=CC2O)O
|
|
| MCULE-7045262498 |
0.75 |
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-1228200157 |
0.75 |
C1[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)CCCC=C[C@]2([H])C[C@@H]1O
|
|
| MCULE-4388066404 |
0.75 |
C1[C@H](O)C[C@@]2([H])[C@H](O)C=CC(=O)O[C@@H](C)CCCC=C[C@]12[H]
|
|
| MCULE-7768079101 |
0.75 |
O1[C@H](C)CCCC=C[C@@]2([H])C[C@@H](O)C[C@]2([H])[C@H](C=CC1=O)O
|
|
| MCULE-5385404753 |
0.75 |
C1C=C(C)CCC2C(COC)C(=O)OC2C=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-1066490491 |
0.75 |
C1(=C(C)C(OC1=O)(C)C)C(C)(O)C(C)(O)C1=C(C)C(OC1=O)(C)C
|
|
| MCULE-8297229450 |
0.75 |
C12C[C@H]3[C@@H](C[C@H](C)[C@]1([H])CC(=O)C=2C)OC(=O)C3=C
|
|
| MCULE-1226258144 |
0.75 |
C(OC)(C12C3CCC4(C)C(C5COC(C=5)=O)CC=C4C3CCC1(O)CC(O)CC2)=O
|
|
| MCULE-1868424196 |
0.75 |
O=C1CCC2(C)C3C(CC4(C)C(CCC4C3CC(C2=C1)OC(C)=O)C(C)=O)OC(C)=O
|
|
| MCULE-8879489618 |
0.75 |
C1CCCC2C(=O)OC(=O)C=2CCCCC1
|
|
| MolPort-019-937-554 |
0.75 |
CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(CO)\CCC=C(C=O)C1O
|
|
| 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-019-937-355 |
0.75 |
CC1(C)CCCC2(C)C1CC(O)C1=C2C(=O)OC1
|
|
| MolPort-000-755-388 |
0.75 |
CC1=C(C(=O)OC1(C)C)C(C)(O)C(C)(O)C1=C(C)C(C)(C)OC1=O
|
|
| MolPort-001-742-421 |
0.75 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC2=C(C)C(=O)C[C@@H]12
|
|
| MolPort-005-938-522 |
0.75 |
CC1=C(CCC2=CCOC2=O)[C@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@H]2CC1
|
|
| MolPort-046-510-442 |
0.75 |
O=C1OC(=O)C2=C1CCCCCC2
|
|
| MolPort-000-770-776 |
0.74 |
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
|
|
| MolPort-019-937-216 |
0.74 |
CC\C=C/CC1C(=O)C=CC1(CCCCC1CCC(=O)O1)OC(C)=O
|
|
| MolPort-028-600-130 |
0.74 |
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-006-668-331 |
0.74 |
CC(=O)OC[C@]1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
|
|
| MolPort-035-705-809 |
0.74 |
COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]12C
|
|
| MolPort-021-804-784 |
0.74 |
CC1CC\C=C(C)\CC2(O)OC(=O)C(C)=C2CC1=O
|
|
| MolPort-046-689-479 |
0.74 |
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
|
|
| MCULE-5499634167 |
0.74 |
CC1C(=O)OC2C1CCC(O)(C)C1C2=C(C)C2C1C1C3C(O)(C)CCC4C(C)C(=O)OC4C23C(C)=C1
|
|
| MCULE-5708067201 |
0.74 |
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-3501875786 |
0.74 |
[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-2858651865 |
0.74 |
O=C1C2C(C)CCC2C(C)C2=C1C(CCC1OC(=O)C(C)=C1)(C)OC2=O
|
|
| MCULE-1524945873 |
0.74 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3)[C@H](C)CC[C@@]2(C)C(C(=O)OC)=C1
|
|
| MCULE-2593667564 |
0.74 |
C1C=C(C(=O)C[C@@H]2[C@@H](C(C1)=C)C[C@]2(COC(=O)C)C)CO
|
|
| MCULE-4611936405 |
0.74 |
C1C=C(C)CC2(O)OC(=O)C(C)=C2CC(=O)C(C)C1
|
|
| MCULE-6317272202 |
0.74 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CCC2(C1)[H])C(OC)=O
|
|
| MCULE-3998827933 |
0.74 |
C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(COC(=O)C)=C1)C
|
|
| MCULE-2276317128 |
0.74 |
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-1014190195 |
0.74 |
C1(OCC(=C1C)CCCCC(=O)O)=O
|
|
| MCULE-2616323149 |
0.74 |
O=C(CCCC/C=C1/C(CCCCCCCCCCCCC)OC/1=O)N
|
|
| MCULE-9616259526 |
0.74 |
C12CCCCCC=1C(=O)OC2=O
|
|
| MCULE-8810317888 |
0.74 |
C1(=O)C(C2CCCCC2)=C(C(=O)O1)C1CCCCC1
|
|
| MCULE-7541323970 |
0.74 |
C1C(=O)OC(CCCCCC(C(=O)C)C)C=1
|
|
| MolPort-001-740-957 |
0.74 |
CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2COC(C)=O)CC(O)=O
|
|
| MolPort-044-561-427 |
0.74 |
CCCCCCCCCCCCCC1OC(=O)\C1=C/CCCCC(N)=O
|
|
| MolPort-035-918-675 |
0.74 |
O=C1OC(=O)C2=C1CCCCC2
|
|
| MolPort-029-943-123 |
0.74 |
CC(CCCCCC1OC(=O)C=C1)C(C)=O
|
|
| MolPort-002-507-204 |
0.73 |
C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@H]2OC1=O
|
|
| MolPort-000-700-683 |
0.73 |
C[C@H]1C2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@H]2OC1=O
|
|
| MolPort-003-351-312 |
0.73 |
CC1C2CCC3(C)C=CC(=O)C(C)=C3C2OC1=O
|
|
| MolPort-010-699-798 |
0.73 |
C[C@@H]1C2CC[C@@]3(C)C=CC(=O)C(C)=C3[C@@H]2OC1=O
|
|
| MolPort-035-706-205 |
0.73 |
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-046-763-325 |
0.73 |
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-021-804-724 |
0.73 |
C\C1=C/C(O)C2C(CC(=C)C(O)CC1)OC(=O)C2=C
|
|
| MolPort-044-183-474 |
0.73 |
CCCCC[C@H](O)\C=C\[C@H]1OC(=O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-029-942-969 |
0.73 |
CC(=O)OC1CCC(=C)C2CC3=C(C)C(=O)OC3CC12C
|
|
| MolPort-029-943-088 |
0.73 |
CCC(C)CC(=O)OC1C2C(CC(C)=C1C(C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-029-943-087 |
0.73 |
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 |
0.73 |
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-039-338-617 |
0.73 |
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-029-943-084 |
0.73 |
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCO)OC(=O)C2=C
|
|
| MCULE-9966949324 |
0.73 |
[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
|
|
| MCULE-5470759504 |
0.73 |
C1(OC(=O)CC)C(C)=CCC(C(=C)C)C1
|
|
| MCULE-3653619374 |
0.73 |
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-3423268424 |
0.73 |
C1CC(C)=CC(O)C2C(=C)C(=O)OC2CC(=C)C1O
|
|
| MCULE-2286713902 |
0.73 |
C1C(OC(C)=O)C2(C(CC3C(OC(=O)C=3C)C2)C(=C)C1)C
|
|
| MCULE-6482288037 |
0.73 |
C1CC2(C)C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC=C2CC1OC(=O)C=CCC(C)C
|
|
| MCULE-1326219832 |
0.73 |
C(CCCOC(=O)C)(C)C1C(OC(=O)CC(C)CC)C2C(=C)C(=O)OC2CC=1C
|
|
| MCULE-9998977190 |
0.73 |
[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-1031631524 |
0.73 |
[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-6591915280 |
0.73 |
[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-5234178765 |
0.73 |
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-9801536119 |
0.73 |
C1(C(OCC)=O)C2CCC(C2(C)C)(C)C=1
|
|
| MCULE-4437204352 |
0.73 |
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 |
0.73 |
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]
|
|
| 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-3183629646 |
0.73 |
O=C1CC2(C)C(C3COC(C=3)=O)CCC2(O)C2CCC3CC(O)CCC3(C)C21
|
|
| 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-2566917767 |
0.73 |
C12C(O)C3CC(C)(C)CC3C(O)(C)CC=1C(=O)OC2
|
|
| MCULE-4974199679 |
0.73 |
C12[C@@](C)(CC[C@H]3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C
|
|
| MCULE-3223183548 |
0.73 |
C12[C@@](C)(CCC3[C@@H](C(=O)O[C@H]13)C)C=CC(=O)C=2C
|
|
| MCULE-7515529172 |
0.73 |
C12C(C)(CCC3C(C(=O)OC13)C)C=CC(=O)C=2C
|
|
| MCULE-2255903955 |
0.73 |
O1C([C@@H](C)[C@@H]2CC[C@]3(C=CC(C(C)=C3[C@@H]12)=O)C)=O
|
|
| MCULE-7503740182 |
0.73 |
C(=O)(OC1CC(C)CCC1C(C)C)C1CCC(C(=O)OC2CC(C)CCC2C(C)C)CC=1
|
|
| MolPort-046-153-715 |
0.73 |
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-001-740-880 |
0.73 |
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-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-021-804-735 |
0.73 |
CC1(C)CC2C(C1)C(C)(O)CC1=C(COC1=O)C2O
|
|
| MolPort-029-937-842 |
0.73 |
O=C(OCC1CCOC1)C1=CCCCCC1
|
|
| MolPort-027-720-870 |
0.73 |
CC1C2CCC3(C)C(=O)CCC(C)=C3C2OC1=O
|
|
| 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
|
|
| MolPort-006-113-476 |
0.72 |
CCOC(=O)C1=CCCCC1
|
|
| MolPort-021-804-698 |
0.72 |
C\C=C(\C)C(=O)OCC(CCO)CCC1(C)C(C)CCC2(CO)C1CCC=C2COC(=O)CCC(O)=O
|
|
| MolPort-035-705-926 |
0.72 |
CC1(C)CCC[C@]2(C)[C@@H](C\C=C3/CCOC3=O)[C@]3(CO3)CC[C@@H]12
|
|
| MolPort-005-911-057 |
0.72 |
CC12CCC3C(CCC4CC(O)CCC34CO)C1=CCC2C1=CC(=O)OC1
|
|
| MCULE-9839017109 |
0.72 |
[C@]12(C)CCCC[C@]1([H])C(=C)C1[C@@]([H])(OC(C=1C)=O)C2
|
|
| MCULE-5189438807 |
0.72 |
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-1536474229 |
0.72 |
O=C(C1CCCCCC=1)OCC1COCC1
|
|
| MCULE-4505044370 |
0.72 |
[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-1707790411 |
0.72 |
O=C1OC2C(CCC(=CCCC3(C(CCC(=C2)C)O3)C)C)=C1C
|
|
| MCULE-1502775418 |
0.72 |
C12=CCC(C1(C)CCC1C2CCC2(C1(CO)CCC(O)C2)[H])C1COC(=O)C=1
|
|
| MCULE-8674366228 |
0.72 |
C(C)(=O)OC1CCC2(C)C3C(CC=C2C1)C1CCC(C1CC3)C(OC1C=CC2C3CC(CC3)C12)=O
|
|
| MCULE-3449642272 |
0.72 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(C2=C1)OC(C)=O)C(COC(C)=O)=O
|
|
| MCULE-8961282760 |
0.72 |
C1C=C(C)C(=O)C=CC(C)(C)C2C=C(C1)C(=O)O2
|
|
| MCULE-9975535341 |
0.72 |
C1(=O)OC2C(CC=C(CCC(=O)C)C(C2)C)C1=C
|
|
| MCULE-8051121697 |
0.72 |
C1(=CC(=O)OCC2C3CCC(C3(C)C)(C)C2=O)C2CCC(C2(C)C)(C)C1=O
|
|
| MCULE-4273868412 |
0.72 |
C1C=C(C)CC(O)C2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-7949052065 |
0.72 |
C1([C@H]2[C@@]3(C(CC(C)(C)C3)C=1)C(=C)C(=O)OC2)C(O)=O
|
|
| MCULE-5042813534 |
0.72 |
C12C(O)C3CC(CO)(C)CC3C(O)(C)CC=1C(=O)OC2
|
|
| MCULE-8771172896 |
0.72 |
C1CC2(C)C3C(=O)OCC=3CC(O)C2C(C)(C)C1OC(=O)/C(/C)=C\C
|
|
| MCULE-1286702458 |
0.72 |
[C@@H]1(CCCCC)CC=CC(=O)O1
|
|
| MCULE-7838361683 |
0.72 |
[C@H]1(CCCCC)CC=CC(=O)O1
|
|
| MCULE-9995877189 |
0.72 |
C1C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])C(=C)C1
|
|
| MCULE-2751425383 |
0.72 |
O1[C@@]2(O)C[C@@]3(C)CCCC(=C)[C@]3([H])CC2=C(C)C1=O
|
|
| MCULE-6120531049 |
0.72 |
C1CC2(C)CC3(O)OC(=O)C(C)=C3CC2C(=C)C1OC(=O)C
|
|
| MolPort-001-742-756 |
0.72 |
C\C1=C\CCC2=CC(OC2=O)C(C)(C)\C=C/C1=O
|
|
| MolPort-001-741-261 |
0.72 |
C\C1=C/CCC2=CC(OC2=O)C(C)(C)\C=C/C1=O
|
|
| MolPort-039-052-656 |
0.72 |
CC1(C)CCC[C@]2(C)[C@H]3[C@H](O)OC(=O)C3=CC[C@@H]12
|
|
| MolPort-029-943-072 |
0.72 |
C\C=C(\C)C(=O)OC1CCC2(C)C(C(O)CC3=C2C(=O)OC3)C1(C)C
|
|
| MolPort-021-804-733 |
0.72 |
CC1(CO)CC2C(C1)C(C)(O)CC1=C(COC1=O)C2O
|
|
| MolPort-046-153-174 |
0.72 |
COCC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2O
|
|
| MolPort-019-931-768 |
0.72 |
CC1(C)CC2C=C([C@@H]3COC(=O)C(=C)[C@]23C1)C(O)=O
|
|
| MolPort-001-740-745 |
0.72 |
CC1CC2OC(=O)C(=C)C2CC=C1CCC(C)=O
|
|
| MolPort-028-610-180 |
0.72 |
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-019-937-183 |
0.72 |
CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(CO)\CCC=C(C=O)C1OC
|
|
| MolPort-020-005-664 |
0.72 |
CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C[C@]2(O)OC1=O
|
|
| MolPort-021-804-645 |
0.72 |
CC(=O)OC1CCC2(C)CC3(O)OC(=O)C(C)=C3CC2C1=C
|
|
| MolPort-027-935-414 |
0.71 |
CC1CC(CCC1=O)C(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C
|
|
| MolPort-006-121-402 |
0.71 |
CC12CCCC(C)(C)C1=CC(=O)O2
|
|
| MolPort-044-561-262 |
0.71 |
C[C@H]1C[C@H]2CC[C@H]3OC(=O)C(=C1)[C@@]23O
|
|
| MolPort-019-992-901 |
0.71 |
C[C@@]12CCCC(C)(C)C1=CC(=O)O2
|
|
| MolPort-019-936-876 |
0.71 |
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-027-835-895 |
0.71 |
C[C@]12CCCC(C)(C)C1=CC(=O)O2
|
|
| MolPort-039-338-230 |
0.71 |
C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CCC1=CC(=O)OC1O
|
|
| MolPort-020-006-022 |
0.71 |
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-035-706-200 |
0.71 |
C[C@@H]1CC(=O)C([C@H]2C=C(C)[C@H](C[C@@H]12)OC(C)=O)=C(C)C
|
|
| MolPort-001-739-845 |
0.71 |
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-044-649-750 |
0.71 |
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-002-501-600 |
0.71 |
O=C1OC(=O)C2=C1CCCC2
|
|
| MCULE-1300552918 |
0.71 |
C1(C(OC)=O)C2C(C3CC2C=C3)C=1C(OC)=O
|
|
| MCULE-3752800864 |
0.71 |
CC1C(=O)CCC(C(OCC2[C@H]3C(C)(C)[C@H](C3)CC=2)=O)C1
|
|
| MCULE-1194643306 |
0.71 |
O1C(C2C=CCC3C2C1C=CC3O)=O
|
|
| MCULE-9798073540 |
0.71 |
O1C(C2[C@]3([C@@](CC[C@@]13[H])([H])C[C@H](C)C=2)O)=O
|
|
| MCULE-9894416903 |
0.71 |
C1CC2(C)C3(CCC(C=C)(C)C=C3C(O)=O)OC(=O)C2C(C)(C)C1
|
|
| MCULE-6250100613 |
0.71 |
C1(C)CC2CCC3OC(=O)C(C23O)=C1
|
|
| MCULE-2284846333 |
0.71 |
[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-1052258564 |
0.71 |
[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-7302182157 |
0.71 |
C1(=O)C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3O)[C@H](C)CC[C@@]2(C)C(C)=C1
|
|
| MCULE-5943290394 |
0.71 |
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 |
0.71 |
C12C(C)(C)CCCC1(C)OC(=O)C=2
|
|
| MCULE-2185361459 |
0.71 |
O1C(C=C2[C@@]1(C)CCCC2(C)C)=O
|
|
| MCULE-5214550861 |
0.71 |
C12C(C)(C)CCC[C@]1(C)OC(=O)C=2
|
|
| MCULE-5530658305 |
0.71 |
O1C(C)CCC(O)C=CC(=O)OC(C)CCC(O)C=CC1=O
|
|
| MCULE-4858829873 |
0.71 |
CC1(C)C2=CC(O[C@]2(C)CCC1)=O
|
|
| MCULE-1374093397 |
0.71 |
C1=CC2CC1C1C(COC(=O)C)=CC12
|
|
| MCULE-1158671172 |
0.71 |
O1C(=O)C2=C(CCCC2)C1=O
|
|
| MCULE-4058521866 |
0.71 |
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-4627485071 |
0.71 |
C1CC2(C)CCC3(O)C(C)C(=O)OC3C2=C(C)C1O
|
|
| MCULE-7395356540 |
0.71 |
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-8750855908 |
0.71 |
C1[C@]([H])(C/C=C(\C)/CC2CC(C)C(=O)O2)C(C(O1)=O)=C
|
|
| MCULE-4523943869 |
0.71 |
C1C=C(C)CC(OC(=O)C)C2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-9485946749 |
0.71 |
C1(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC2C(C)=C1
|
|
| MCULE-8353986967 |
0.71 |
O=C1CCC2(C=C(C(C)(C)C)C(C(C(C)(C)C)=C2)=O)O1
|
|
| MCULE-1819290201 |
0.71 |
[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
|
|
| MolPort-046-697-234 |
0.71 |
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
|
|
| MolPort-021-804-665 |
0.71 |
CC1C(=O)OC2C3=C(C)C(O)CCC3(C)CCC12O
|
|
| MolPort-005-944-946 |
0.71 |
CC1CC(C\C(C)=C\C[C@H]2COC(=O)C2=C)OC1=O
|
|
| MolPort-039-338-558 |
0.71 |
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-004-780-965 |
0.71 |
C=CCOC(=O)C1=CCCC1
|
|
| MolPort-046-153-175 |
0.71 |
COCC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2OC(C)=O
|
|
| MolPort-021-804-540 |
0.71 |
CC1=CC(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC12
|
|
| MolPort-028-602-674 |
0.71 |
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-046-418-946 |
0.71 |
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-029-999-415 |
0.71 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3CCC2=C1
|
|
| MolPort-009-680-371 |
0.71 |
CC(C)(C)C1=CC2(CCC(=O)O2)C=C(C1=O)C(C)(C)C
|
|
| MolPort-039-033-008 |
0.71 |
CCCCCCC\C=C1\CC(=O)OC1=O
|
|
| MolPort-002-509-690 |
0.71 |
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-046-419-228 |
0.70 |
CCOC(=O)C1=CC2CCC1O2
|
|
| MolPort-029-942-936 |
0.70 |
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-039-338-474 |
0.70 |
C[C@]1(CC[C@]2(C)[C@@H](C1)CCC(C)(C)[C@H]1OC(=O)C=C21)C=C
|
|
| MolPort-001-742-439 |
0.70 |
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-005-944-539 |
0.70 |
CCCCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-005-944-535 |
0.70 |
CCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-044-831-066 |
0.70 |
C[C@H]1C[C@@H]2OC(=O)C(=C)C2CC=C1\C=C\C(C)=O
|
|
| MolPort-039-052-387 |
0.70 |
C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1\C=C\C(C)=O
|
|
| MolPort-023-274-269 |
0.70 |
CCC(C)C(=O)OC1C2[C@H](OC(=O)C2=C)\C=C(CO)\CCC=C(CO)[C@@H]1OC(C)=O
|
|
| MolPort-002-521-219 |
0.70 |
C[C@]12CCC3[C@@H](CCC4CC(=O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-035-834-808 |
0.70 |
CC1=CC(CC(C)(C)C1)OC(=O)CC1CCCO1
|
|
| MolPort-046-761-048 |
0.70 |
CC(=O)OCC1=C2CC\C(C)=C\C[C@H](O)\C(C)=C\[C@H]2OC1=O
|
|
| MolPort-029-937-862 |
0.70 |
CC(CC#N)OC(=O)C1=CCCCCC1
|
|
| MCULE-9193800742 |
0.70 |
C1CC(OC(C)=O)C=CCCC1
|
|
| MCULE-7829335047 |
0.70 |
C12OC(CC1)C=C2C(OCC)=O
|
|
| MCULE-1713731192 |
0.70 |
C1CC(C)(C)C2C(C(CO)(C(=CC2OC(CCCCC)=O)CO)O)(C1O)C
|
|
| MCULE-5288653087 |
0.70 |
C1C(C2(C(C(C=C(C2(O)CO)CO)OC(CCCCCCC)=O)C(C)(C)C1)C)O
|
|
| MCULE-4810985269 |
0.70 |
[C@@]12([H])OC(=O)C([C@@]1([H])CC=C(/C=C/C(=O)C)[C@@H](C)C2)=C
|
|
| MCULE-2528413632 |
0.70 |
CC1C(C=CC(C)=O)=CCC2C(C(OC2C1)=O)=C
|
|
| MCULE-2185195019 |
0.70 |
[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-1400269697 |
0.70 |
C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
|
|
| MCULE-8399347131 |
0.70 |
[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-8163822030 |
0.70 |
CC(OC(C1CCCCCC=1)=O)CC#N
|
|
| MCULE-3176715940 |
0.70 |
CC1CC(C)(C)CC(OC(CC2OCCC2)=O)C=1
|
|
| MCULE-7064805050 |
0.70 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)CCC)=O
|
|
| MCULE-1580462179 |
0.70 |
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-2061017881 |
0.70 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)C(C)(C)C)=O
|
|
| MCULE-9774427702 |
0.70 |
C1(C(O)=O)=C(C)C(OC21CCCCCC2)=O
|
|
| MCULE-2460567264 |
0.70 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)CCCC)=O
|
|
| MCULE-3941648652 |
0.70 |
C1(C(O)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-3648597514 |
0.70 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)C)=O
|
|
| MCULE-8091940383 |
0.70 |
C1C[C@]2(C)[C@@]([H])(CCC3C(=O)OCC=3)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)O)C1
|
|
| MCULE-1310747899 |
0.70 |
C1C[C@]2(C)[C@@]([H])(CCC3C(=O)OCC=3)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)OC)C1
|
|
| MCULE-7252099279 |
0.70 |
C1CC2(C(CCC(C2CCC2=CCOC2=O)=C)C(C(OC)=O)(C)C1)C
|
|
| MCULE-3965188829 |
0.70 |
C1C[C@@]2(C(CCC([C@H]2CCC2C(=O)OCC=2)=C)[C@@](CO)(C)C1)C
|
|
| MCULE-3178410726 |
0.70 |
C1CC(C(O)=O)(C)C2C(C)(C(CCC3=CCOC3=O)C(CC2)=C)C1
|
|
| MCULE-5004121327 |
0.70 |
[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-5939300673 |
0.70 |
[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-9530340790 |
0.70 |
C12C(=O)CC(CC=1CC1(CC2(OCC)CC(C1)(C)C)C)(C)C
|
|
| MCULE-6449749404 |
0.70 |
[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-6426429596 |
0.70 |
O(C(C)=O)C1CC2C(=O)OCC=2C2(C)C1C1(COC1=O)CCC2
|
|
| MCULE-2104971598 |
0.70 |
C1C[C@]2(C)[C@@]([H])(CCC3=CC(=O)OC3O)C(=C)CC[C@@]2([H])[C@@](C)(C(=O)O)C1
|
|
| MCULE-4569544045 |
0.70 |
C12(O)CCC(C1(C)CC[C@]1([H])C(CCC(O)CC(=O)CC[C@@]21[H])=O)C1COC(=O)C=1
|
|
| MCULE-5304194793 |
0.70 |
CCC(C)=CC(OC1C(=C)C2CC(C(C(OC(C)=O)C)C2C(C(C)C)C1)=O)=O
|
|
| MCULE-5291547123 |
0.70 |
[C@@]12([H])CC(=O)[C@H]([C@@H](OC(C)=O)C)[C@@]1([H])[C@H](C(C)C)C[C@@H](OC(=O)/C=C(\C)/CC)C2=C
|
|
| MCULE-6576560001 |
0.70 |
[C@H]1(C[C@@H](OC(=O)/C=C(/CC)\C)C(=C)[C@]2([H])CC(=O)[C@@]([H])([C@@]12[H])[C@H](OC(C)=O)C)C(C)C
|
|
| 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
|
|
| MolPort-044-754-159 |
0.70 |
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-015-137-208 |
0.70 |
CC1=C(C(O)=O)C2(CCCCCC2)OC1=O
|
|
| MolPort-015-137-457 |
0.70 |
CC1=C(C(O)=O)C2(CCCCC2)OC1=O
|
|
| MolPort-039-052-550 |
0.70 |
COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H](CCC3=CCOC3=O)C(=C)CC[C@@H]12
|
|
| MolPort-005-945-684 |
0.70 |
COC(=O)C1(C)CCCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12
|
|
| MolPort-046-147-268 |
0.70 |
CCOC(=O)C1=C(CCC1)C(=O)OCC
|
|
| MolPort-005-945-683 |
0.70 |
CC12CCCC(C)(C1CCC(=C)C2CCC1=CCOC1=O)C(O)=O
|
|
| MolPort-035-705-906 |
0.70 |
C[C@]12CCC[C@@](C)([C@@H]1CCC(=C)[C@@H]2CCC1=CCOC1=O)C(O)=O
|
|
| MolPort-005-944-967 |
0.70 |
C[C@@]1(CO)CCC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CCC12
|
|
| MolPort-035-706-337 |
0.70 |
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-035-706-340 |
0.70 |
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-002-800-183 |
0.70 |
CCOC12CC(C)(C)CC(C)(CC3=C1C(=O)CC(C)(C)C3)C2
|
|
| MolPort-001-742-395 |
0.70 |
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-046-697-193 |
0.70 |
CC(=O)OC1CC2=C(COC2=O)C2(C)CCCC3(COC3=O)C12
|
|
| MolPort-019-936-891 |
0.70 |
CCC(C)C(=O)OC1C2C(OC(=O)C2=C)\C=C(C)\CCC=C(C=O)C1OC
|
|
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0.70 |
CCC(C)=CC(=O)OC1CC(C(C)C)C2C(CC(=O)C2C(C)OC(C)=O)C1=C
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CC\C(C)=C\C(=O)O[C@@H]1C[C@@H](C(C)C)[C@H]2[C@@H](CC(=O)[C@@H]2[C@@H](C)OC(C)=O)C1=C
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C[C@]12CCC[C@@](C)([C@@H]1CCC(=C)[C@@H]2CCC1=CC(=O)OC1O)C(O)=O
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CC12CC[C@H]3[C@@H](CCC(=O)CC(O)CCC3=O)C1(O)CCC2C1=CC(=O)OC1
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CC(=O)OCC1=CCC2C(C)(C)CCCC2(C)C11CCC(C)(CC(O)=O)O1
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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
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CC1C(=O)OC2C3=C(C)CCCC3(C)CCC12O
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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
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C\C(=C/CCC(C)(O)C=C)C1CC=C(C)C(=O)O1
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CC\C=C/CC1C(=O)C=CC1(O)CCCCC1CCC(=O)O1
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CC1(C)CCCC2=C1C(=O)OC(=O)C1=CC(C)(CCC21O)C=C
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CCCCCCCC1OCC2=C1C(=O)OC2
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)[C@@H]3C=CC2=C1
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)C3C=CC2=C1
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CC1=C2CC3C(=C)CCC(O)C3(C)CC2(O)OC1=O
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| MCULE-9630312174 |
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C1CC2(C)CCC3(O)C(C)C(=O)OC3C2=C(C)C1
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| MCULE-7170821286 |
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C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCOC(C)=O)CCC4C3CC=C2C1
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C1CC2C3(O)CCC(C)(C=C)C=C3C(=O)OC(=O)C=2C(C)(C)C1
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C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC=C2C1)C(C)(OC(C)=O)[H]
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O=C1C2CC(C=CC2)O1
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| MCULE-4587387143 |
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C1(C)[C@]2([H])[C@@]3([H])OC(=O)C(=C)[C@]3([H])CCC(C)=C2CC1
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C1(OCC2COC(CCCCCCC)C=21)=O
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| MCULE-1950814728 |
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C1[C@@H](O)C2[C@@H](C)[C@@]3([H])OC(=O)C(=C)[C@@]3([H])CC2=C(C)C1
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C1(OCC2COC(C=21)CCCCCCC(C)C)=O
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[C@]12(C)CC[C@@H](C=C1C=C[C@@]1([H])C3[C@@](C)([C@@]4(CC3)CCC(=O)O4)CCC12)OC(C)=O
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C1C(O)C2(C)CC3(O)OC(=O)C(C)=C3CC2C(=C)C1
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| MCULE-9373742271 |
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O(CC(=CCCC(CO)=CCCC(C)=CCO)CC/C=C(\C)/C)C(=O)C
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| MCULE-4115143726 |
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O[C@@H]1C(=C(C)C[C@@]2([H])OC(=O)C(=C)[C@@]12[H])[C@@H](C)CCCO
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[C@H]12OC(=O)C(=C)[C@H]1[C@H](O)C([C@@H](C)CCCOC(=O)C)=C(C)C2
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C1(C)CC2OC(=O)C(=C)C2C(O)C=1C(C)CCCO
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| MCULE-1592446720 |
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C1C[C@@]2([C@@]([H])([C@@](CO)(C)C1O)CCC(=C)[C@H]2CCC1C(=O)OCC=1)C
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| MCULE-7577519245 |
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C1(=O)C(C)=C(CO1)CCCCC(O)C(C)O
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| MCULE-7613417621 |
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O=C1C(CC[C@H]2[C@@]3(C)[C@]([C@@]([C@@H](CC3)O)(CO)C)([H])CCC2=C)=CCO1
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| MCULE-3090499793 |
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C1C[C@@]2(C)[C@@](CCC3C(=O)OCC=3)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
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|
| MCULE-5417027317 |
0.69 |
O(C1C(O)CCC(=O)OC(C)C(OC(=O)/C=C/C)C=C1)C(C)=O
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|
| MCULE-4118812072 |
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C(/C)(=C/CC(O)/C(/C)=C/CO)\CC/C=C(\C)/C1CC=C(C)C(=O)O1
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|
| MCULE-2716845869 |
0.69 |
C1(C)[C@H](C=C[C@](C=CC(O[C@@H]([C@H](CCC=1)C)C)=O)(O)C)OC
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|
| MCULE-1410893528 |
0.69 |
COC(C=C1CC(C2CC2)OC1)=O
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| MCULE-9364352705 |
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C12CC3(CC3)CC=1C(=O)OC2=O
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|
| MCULE-1960514602 |
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C1(OC)C(C)=CCCC(C)C(OC(=O)C=CC(O)(C)C=C1)C
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|
| MCULE-9988520649 |
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C1(C)CCC=CC(OC)C=CC(O)(C)C=CC(=O)OC1C
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| MCULE-3716742475 |
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[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
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| MCULE-9439877737 |
0.69 |
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-6308988715 |
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[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
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|
| MCULE-8753646114 |
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[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
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|
| MCULE-1077978348 |
0.69 |
[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-2501469853 |
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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
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|
| MCULE-5563929213 |
0.69 |
C1=C(C)CC(C)(CC(O)(C)C(=O)O)OC1=O
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|
| MCULE-8163001276 |
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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
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|
| MCULE-1278081687 |
0.69 |
[C@]12(C)C[C@@H]3C(=C)C(=O)O[C@@H]3C[C@H](C)C1=CC(=O)[C@@H]2O
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|
| MCULE-5223496751 |
0.69 |
C1CC2(C)CC3(OC)OC(=O)C(C)=C3CC2C(=C)C1
|
|
| MCULE-1434186647 |
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C1CC2(C)CC3(OC)OC(=O)C(C)=C3CC2C(=C)C1OC(=O)C
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|
| MCULE-4124934247 |
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[C@@]12([H])[C@@H](OC(=O)[C@H]1CO)C=C(CO)[C@@]2([H])CO
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|
| MCULE-3842551274 |
0.69 |
C12(OC)OC(=O)C(C)=C1CC1C(=C)C(O)CCC1(C)C2
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|
| MCULE-8404556889 |
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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 |
0.69 |
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-8006114836 |
0.69 |
C1(C2C3C4(C(C=C2)C1(C#N)C#N)CC(=O)OC4C=C3)(C#N)C#N
|
|
| MCULE-7576822545 |
0.69 |
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 |
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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-9732331127 |
0.69 |
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
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|
| MolPort-005-944-726 |
0.69 |
CC(C)=CCCC(COC(C)=O)=CCCC(CO)=CCCC(C)=CCO
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|
| MolPort-046-762-519 |
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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
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C[C@@H](CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
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|
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CC(CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
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|
| MolPort-029-943-098 |
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CC(CCCO)C1=C(C)CC2OC(=O)C(=C)C2C1O
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|
| MolPort-046-790-483 |
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C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
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CC(CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
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C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
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C[C@@]1(CO)C(O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12
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CC1(CO)C(O)CCC2(C)C(CCC3=CCOC3=O)C(=C)CCC12
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CC(O)C(O)CCCCC1=C(C)C(=O)OC1
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C\C=C\C(=O)OC1\C=C\C(OC(C)=O)C(O)CCC(=O)OC1C
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C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)C(=C)CC[C@H]12
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C\C(CC\C=C(/C)C1CC=C(C)C(=O)O1)=C/CC(O)C(\C)=C\CO
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CO[C@H]1\C=C\[C@@](C)(O)\C=C\C(=O)O[C@H](C)[C@@H](C)CC\C=C1/C
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COC1\C=C\CCC(C)C(C)OC(=O)\C=C\C(C)(O)\C=C\1
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|
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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
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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
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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
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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
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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
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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
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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
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CC1C(=O)OC[C@H]2C(=C[C@@H]3CC(C)(C)C[C@]123)C(O)=O
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0.69 |
CC1=CC(=O)OC(C)(CC(C)(O)C(O)=O)C1
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|
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C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)C(=O)C=C12
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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
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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
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CC1(C)CCC[C@@]2(C)[C@H]1CCC1=C2C(=O)O[C@@H]1O
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COC12CC3(C)CCCC(=C)C3CC1=C(C)C(=O)O2
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COC12CC3(C)CCC(OC(C)=O)C(=C)C3CC1=C(C)C(=O)O2
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OC[C@H]1[C@H]2[C@@H](OC1=O)C=C(CO)[C@H]2CO
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COC12CC3(C)CCC(O)C(=C)C3CC1=C(C)C(=O)O2
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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
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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
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CC1(C)CCC[C@]2(C)[C@@H](CCC3=CC(=O)OC3)C(=C)CC[C@@H]12
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CC(=O)OC[C@]1(C)[C@@H](CC[C@@]2(C)C(C\C=C3/[C@@H](COC3=O)OC(C)=O)C(=C)CCC12)OC(C)=O
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CCC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O
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|
| MolPort-005-944-833 |
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CC(C)CC(=O)OC1C(C(C)C)C(OC(C)=O)C=C(CO)C1=O
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|
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0.68 |
CCCCCCCCCCCC(O)CC(O)CC(O)CC(O)CC1CC=CC(=O)O1
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0.68 |
CC(C)(COC(=O)C1=CCCCC1)C#N
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| MolPort-044-561-235 |
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C\C(CC\C=C(/C)CCC1=C(C)CCCC1(C)C)=C/CCC1=CC(=O)OC1O
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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
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CC1(CCC(=O)O1)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
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| MolPort-005-944-875 |
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CC(=O)OC1CCC(=C)C2CC3=C(C)C(=O)OC3(O)CC12C
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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
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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
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C\C=C(\C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CCC(O)(C(C)C)[C@H]12
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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
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C\C=C\C(=O)OC1\C=C\C(O)C(CCC(=O)OC1C)OC(C)=O
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CC(O)C(C)CCCCCC1OC(=O)C=C1
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COC(=O)C1=CC2CC\C=C/CCC12
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| MolPort-039-242-431 |
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CCOC(=O)C1=C(C)CCC1
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| MolPort-023-274-302 |
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CCC(C)(O)CCCCCC1OC(=O)C=C1
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| MolPort-038-386-581 |
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CC1(C)CCCC2(C)C1C(OC(=O)\C=C\C(O)=O)C=C1COC(=O)C21O
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CC(=O)OC\C=C(/C)CC[C@H]1C(=C)CC[C@H]2[C@@](C)(COC(C)=O)CCC[C@]12C
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| MCULE-3726837580 |
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C1CCC(C(OC)=O)=C(C(OC)=O)CC1
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|
| MCULE-7848467553 |
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C1(C(COC1=O)OC(C)=O)=CCC1C(=C)CCC2C1(C)CCC(C2(C)COC(C)=O)OC(C)=O
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| MCULE-5045812758 |
0.68 |
C(=O)(OC1C(C(C=C(C1=O)CO)OC(C)=O)C(C)C)CC(C)C
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|
| MCULE-9310183372 |
0.68 |
C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)O
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|
| MCULE-3035603698 |
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C(CC(C)CC)(OC1C(C(CO)=CC(OC(C)=O)C1C(C)C)=O)=O
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|
| MCULE-5994274398 |
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CC(C#N)(COC(C1CCCCC=1)=O)C
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|
| MCULE-7212452003 |
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C1C(C)C2=C(C(OCC)=O)C(=O)CC2([H])C1
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|
| MCULE-2606384678 |
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[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
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|
| MCULE-6697936504 |
0.68 |
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-1443616160 |
0.68 |
CC1C(CCC2COC(=O)C=2)(C)C2CC(O)C=C(CO)C2(COC(C)=O)CC1
|
|
| MCULE-9832397249 |
0.68 |
C1C(OC(C)=O)C2(C(CC3C(O)(C2)OC(=O)C=3C)C(=C)C1)C
|
|
| MCULE-4659340446 |
0.68 |
[C@@]12([H])[C@H](CC(=CC(=O)[C@@]1(C)CCC2(O)C(C)C)C)OC(=O)C(C)=CC
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|
| MCULE-9707855350 |
0.68 |
[C@@]12([H])[C@H](CC(=CC(=O)[C@@]1(C)CC[C@@]2(O)C(C)C)C)OC(=O)C(C)=CC
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|
| MCULE-5092150576 |
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OC1C(OC(=O)C)CCC(OC(C)C(C=C1)OC(=O)/C=C/C)=O
|
|
| MCULE-1356077791 |
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[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
|
|
| MCULE-8808813613 |
0.68 |
C1CC2(C)C3(O)C(=O)OCC3=CC(OC(/C=C/C(=O)O)=O)C2C(C)(C)C1
|
|
| MCULE-6193394453 |
0.68 |
C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/COC(=O)C)C(=C)CC[C@@]2([H])[C@@](C)(COC(=O)C)C1
|
|
| MCULE-5561830636 |
0.68 |
C1(=O)C=CC(CCCCCCCCCCCCC)O1
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|
| MCULE-5752112400 |
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COC(C=CC1OCCCC1)=O
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|
| MCULE-6024774190 |
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C1C(=O)OC(CCCCCC(CC)(O)C)C=1
|
|
| MCULE-9797478674 |
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C1C(=O)OC(CCCCCC(C(O)C)C)C=1
|
|
| MCULE-1631535635 |
0.68 |
O1C2CCCC31C=CC1(C)C(C(C)CCC(OC)=O)CCC1C3CCC(C)(C2)[H]
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|
| MCULE-6322752441 |
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C1[C@@H](O)[C@@](C)(CO)[C@@]2([C@](C)([C@@]([H])(C(=C)CC2)CC(O)C2=CCOC2=O)C1)[H]
|
|
| MCULE-5467493333 |
0.68 |
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-5454204287 |
0.68 |
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-9660798204 |
0.68 |
C1(=O)CCC(O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
|
|
| MCULE-1354886932 |
0.68 |
C1C[C@@]2([H])C[C@@]3(O)OC(=O)C(C)=C3C[C@]2(C)[C@@H](C)C1
|
|
| MCULE-4463171772 |
0.68 |
CC1CCC2(OC(=O)CC2=C)CC=1
|
|
| MCULE-4274335769 |
0.68 |
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-1198051930 |
0.68 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/C)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
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|
| MCULE-5311242901 |
0.68 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/C)C(C(=C)C(=O)O)C(O)C1C(=C)CO
|
|
| MCULE-1816798318 |
0.68 |
C12(C)CCC(C(C)(COC(C)=O)C1CCC(=C)C2CC(OC(C)=O)C1=CCOC1=O)OC(C)=O
|
|
| MCULE-1414318418 |
0.68 |
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-8983467960 |
0.68 |
C1(C(=O)OC2CC(C(CC=C)=C2C)=O)C(C1(C)C)C(C)=CC
|
|
| MCULE-4645844021 |
0.68 |
C1(O)(CCC(O)=O)OC(CC1=CC(O)=O)=O
|
|
| MCULE-7364536785 |
0.68 |
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-7117172040 |
0.68 |
C1CCCCCCCCC(C(OC)=O)=C1
|
|
| MCULE-2357370492 |
0.68 |
C1C[C@@]2(C)[C@@](CCC3C(=O)OCC=3)([H])[C@@H](CO)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
|
|
| MCULE-5929092480 |
0.68 |
[C@@]12(C)CCCC(CO)(CO)[C@@]1([H])CC[C@H](CO)[C@@]2([H])CCC1=CCOC1=O
|
|
| MCULE-6747628390 |
0.68 |
[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-7571794100 |
0.68 |
O=C(O)C12C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC1(O)CC(O)CC2
|
|
| MCULE-2962714006 |
0.68 |
[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-1759828525 |
0.68 |
[C@H]12[C@@]([H])(CCC(C)=C3C(CC(C)[C@]13[H])=O)[C@@H](C(=O)O2)C
|
|
| MCULE-6660850303 |
0.68 |
[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-4895972010 |
0.68 |
C12(O)CCC(C1(C)CCC1C2([H])CCC2(C1(C=O)CCC(O)C2)O)C1COC(=O)C=1
|
|
| MCULE-4630794584 |
0.68 |
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
|
|
| MolPort-039-141-890 |
0.68 |
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-035-705-925 |
0.68 |
CC1(C)CCC[C@]2(C)[C@@H](C[C@@H](O)C3=CCOC3=O)C(=C)CC[C@@H]12
|
|
| MolPort-039-141-888 |
0.68 |
C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2[C@H](O)CC1=CCOC1=O
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|
| MolPort-001-741-135 |
0.68 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC(O)C3=CCOC3=O)C(=C)CC[C@H]12
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|
| MolPort-001-740-401 |
0.68 |
C[C@H]1CCC[C@H]2C[C@@]3(O)OC(=O)C(C)=C3C[C@]12C
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|
| MolPort-006-668-483 |
0.68 |
CC(C1CCC(C)(O1)C=C)C(=O)OC\C(C)=C/CCC(C)(O)C=C
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|
| MolPort-039-141-792 |
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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
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|
| MolPort-006-668-458 |
0.68 |
CC(=O)OC\C=C(\C)C(=O)OC1CC(C)(C=C)C(C(O)C1C(=C)C(O)=O)C(=C)CO
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|
| MolPort-006-668-667 |
0.68 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(\C)=C/COC(C)=O)C=C
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| MolPort-002-800-229 |
0.68 |
CC(=O)OCC1(C)C(CCC2(C)C(CC(OC(C)=O)C3=CCOC3=O)C(=C)CCC12)OC(C)=O
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|
| MolPort-046-693-328 |
0.68 |
CCOC(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
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|
| MolPort-003-930-247 |
0.68 |
C\C=C(/C)C1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
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|
| MolPort-002-327-340 |
0.68 |
OC(=O)CCC1(O)OC(=O)C\C1=C/C(O)=O
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|
| MolPort-005-945-302 |
0.68 |
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
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| MolPort-046-698-684 |
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O=CC=CC1CCC(=O)O1
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|
| MolPort-039-052-687 |
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C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CCC3=CCOC3=O)[C@@H](CO)CC[C@H]12
|
|
| MolPort-002-800-312 |
0.68 |
COC(=O)C1=C(C2CCC1CC2)C(=O)OC
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|
| MolPort-002-536-709 |
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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
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C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/C(O)COC3=O)C(=C)CC[C@H]12
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|
| MolPort-002-506-953 |
0.67 |
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
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0.67 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@H](O)COC3=O)C(=C)CC[C@H]12
|
|
| MolPort-002-507-305 |
0.67 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)C(C\C=C3/C(O)COC3=O)C(=C)CC[C@H]12
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|
| MolPort-044-723-670 |
0.67 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](CC=C3[C@H](O)COC3=O)C(=C)CC[C@H]12
|
|
| MolPort-004-955-335 |
0.67 |
CC1(CO)C(O)CCC2(C)C(C\C=C3\C(O)COC3=O)C(=C)CCC12
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|
| MolPort-019-699-590 |
0.67 |
CC12CCC3C(CCC(C)(O)C3(C)C([O-])=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-517-105 |
0.67 |
[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-007-549-367 |
0.67 |
CC12CC[C@H]3[C@@H](CCC4(O)C[C@H](O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
|
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0.67 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3\[C@H](O)COC3=O)C(=C)CC[C@H]12
|
|
| MolPort-005-945-151 |
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C[C@H]1CCCC2C(O)C3OC(=O)C(C)=C3C[C@]12C
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|
| MolPort-001-845-372 |
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CC12CCC3C(CCC4(O)CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-002-525-351 |
0.67 |
CC1CC(=O)C2=C(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12
|
|
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0.67 |
C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/[C@@H](O)COC3=O)C(=C)CC[C@H]12
|
|
| MolPort-007-549-412 |
0.67 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(O)CCC34C(O)=O)C1(O)CCC2C1=CC(=O)OC1
|
|
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0.67 |
CC12CC[C@H]3[C@@H](CCC4=CC(O)CCC34C=O)C1(O)CCC2C1=CC(=O)OC1
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|
| MolPort-002-527-393 |
0.67 |
C[C@]12CCC3C(CCC4=C[C@@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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|
| MolPort-015-135-814 |
0.67 |
CC12CC(CC1(O)C[C@@H]1CCC3(O)C[C@H](O)CCC3(C=O)[C@H]1C2)C1=CC(=O)OC1
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|
| MolPort-019-699-559 |
0.67 |
CC12CCC3C(CCC4(O)CC(O)CCC34C([O-])=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-019-923-458 |
0.67 |
CC1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C3/C(O)COC3=O)C(=C)CC[C@H]12
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| MolPort-002-510-188 |
0.67 |
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-002-526-048 |
0.67 |
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
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|
| MolPort-035-706-335 |
0.67 |
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
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| MolPort-029-943-092 |
0.67 |
CC1(C)C2C(O)C=C3COC(=O)C3(O)C2(C)CCC1=O
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|
| MolPort-002-169-466 |
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CC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4CC(C)(CCC4(C)CCC32C)C(O)=O)C1(C)C
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|
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COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
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0.67 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
|
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0.67 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
|
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0.67 |
CC(=O)O[C@]1(C(C)=O)C(=C)CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(\C)=C/C
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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
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C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
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O=C1OC(=O)C2=C1CCC2
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C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@@](C)(O)C=CC3=O
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CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
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C\C=C(/C)C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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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
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C/C
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C[C@H]1C2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
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CC(=O)O[C@]1(C(C)=O)C(=C)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O
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CC1(C)CCC[C@@]2(C)[C@H]1C[C@H](O)C1=C2[C@H](O)OC1=O
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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
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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
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CC(CCC\C(C)=C\C1CC(C)=CC(=O)O1)C1=CC(=O)C(C)(C)O1
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COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(\CO)=C/COC(C)=O)C=C
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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
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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
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CC1(C)CCCC2(C)C1CC(O)C1=C2C(O)OC1=O
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CC(=O)OC\C=C(/C)C(CC1C(C)=C(OC(C)=O)C(=O)C2C(C)(C)C(=O)CCC12C)OC(C)=O
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COC1C(O)C2C(C)(C)CCCC2(C)C2=C1C(=O)OC2
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C1[C@@H](O)[C@@](C)(CO)[C@@]2([C@](C)([C@@]([H])(C(=C)CC2)C/C=C2\[C@H](O)COC\2=O)C1)[H]
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O=C1C(=CC[C@H]2[C@@]3(C)[C@]([C@@]([C@@H](CC3)O)(CO)C)([H])CCC2=C)[C@H](O)CO1
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C1CC2C(O)C3OC(=O)C(C)=C3C[C@]2(C)[C@H](C1)C
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C12(C)CCC(C(C)(CO)C1CCC(=C)C2C/C=C1/C(O)COC/1=O)O
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C1C[C@@]2(C)[C@@](C/C=C3/[C@H](O)COC/3=O)([H])C(=C)CC[C@]2([H])[C@](C)(CO)[C@@H]1O
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C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2C1(C=O)CCC(O)C=2)C1COC(=O)C=1
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0.67 |
C12(C)CCC(C(C)(CO)C1([H])CCC(=C)C2([H])CC=C1C(O)COC1=O)O
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[C@@]12(C)CC[C@H]([C@@](C)(CO)[C@@]1([H])CCC(=C)C2([H])C/C=C1\[C@@H](O)COC\1=O)O
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[C@@]12(C)CC[C@H]([C@@](C)(CO)[C@@]1([H])CCC(=C)[C@H]2CC=C1[C@H](O)COC1=O)O
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O=C1/C(=C/CC2C3(C)C(C(C(CC3)O)(CO)C)CCC2=C)/C(O)CO1
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[C@]12(O)CC[C@@H]([C@@]1(C)CCC1C2CCC2[C@]1(C=O)CC[C@H](O)C=2)C1COC(=O)C=1
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[C@@]12(C)CC[C@H]([C@@](C)(CO)[C@@]1([H])CCC(=C)C2([H])CC=C1C(O)COC1=O)O
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| MCULE-7816980935 |
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CC(OC1C(O)C2=CC(C3C(C2(C)CC1)CCC1(C)C3CCC1)=O)=O
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|
| MCULE-3133855253 |
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C1CC2(C)C3(O)C(=O)OCC3=CC(O)C2C(C)(C)C1=O
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| MCULE-3754202975 |
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C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
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| MCULE-9340600776 |
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C1C(C(CCC=1C)CC(=O)OCC)=O
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| MCULE-7927686982 |
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C12C3C4C(C5C1C(C(OC)=O)=C(C(OC)=O)C35)C2C=C4
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|
| MCULE-6315971440 |
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O1C(=O)C2=C(CCC2)C1=O
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| MCULE-8611232708 |
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C12C3C4C(C5C1C(C(O)=O)=C(C(OC)=O)C35)C2C=C4
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|
| MCULE-8656866182 |
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C12CC(C)(C)CC=1C(=O)OC2=O
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|
| MCULE-3605854604 |
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C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)=C([H])C)C1CCC2C(C)CCCC(C)C
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0.67 |
CC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2([H])C(=CC(=O)CC2)CC3)[H])([H])CC1=C)OC(=O)C
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|
| MCULE-7272779592 |
0.67 |
[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
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| MCULE-9760230651 |
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[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(=C)[C@@]2(C(C)=O)OC(C)=O
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| MCULE-3193343372 |
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C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=CC
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|
| MCULE-7096460548 |
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C1C[C@@]2([H])C(=CC1=O)CC[C@]1([C@@]3([H])[C@@](CC[C@]21[H])(C)[C@@](OC(=O)C)(C(=O)C)C(=C)C3)[H]
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| MCULE-7025819167 |
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C12C(CCC3(C)C(C=CC(C)(O)C13[H])=O)C(C(=O)O2)C
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| MCULE-9439093573 |
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[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
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|
| MCULE-3300544479 |
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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-1507896508 |
0.67 |
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
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| MCULE-8523582209 |
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C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/CO)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
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| MCULE-9912732918 |
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C1C[C@]2(C)[C@@]3([H])C[C@H](OC(C)=O)C(C(C)C)=CC3=CC[C@@]2([H])[C@@](C(=O)O)(C)C1
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| MCULE-3293161796 |
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[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
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| MCULE-7237926274 |
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C1CC2(C)C3C(O)OC(=O)C=3C(O)CC2C(C)(C)C1
|
|
| MCULE-8985437799 |
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C1C[C@]2(C)C[C@]3(OC(C)=O)OC(=O)C(C)=C3C[C@@]2([H])C(=C)C1
|
|
| MCULE-7878989239 |
0.67 |
C1C(=O)OC(/C=C(\C)/CCCC(C)C2OC(C)(C)C(=O)C=2)CC=1C
|
|
| MCULE-8133468470 |
0.67 |
C1CC2(C)C3COC(=O)C=3C(OC)C(O)C2C(C)(C)C1
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|
| MCULE-8636553484 |
0.67 |
C1CC2(C)C3C(=O)OCC=3C(C(=O)C(C)O)(C)CC2C(C)=C2CC(=O)OC(C)(C)C=12
|
|
| MCULE-4652104758 |
0.67 |
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-1112041418 |
0.67 |
O=C1CCC2(C)C(C1)(C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC=C12)OC(C)=O)[H]
|
|
| MCULE-2780089397 |
0.67 |
C1(C)(/C=C/C(CCC(O)=O)(O)C)C2CCC(=O)OC(C)(C)C2CC1
|
|
| MCULE-9035451811 |
0.67 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC12CCC(=O)O1)[H]
|
|
| MCULE-5595198949 |
0.67 |
[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-9375609224 |
0.67 |
CCCC1C(=CC(O)=O)COC1
|
|
| MCULE-4343790137 |
0.67 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C([H])=C([H])C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-4464120365 |
0.67 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)OC(C)=O
|
|
| MCULE-4172470592 |
0.67 |
C(C)(=O)OC1CCC2(C)C(C1)(C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])=O)[H]
|
|
| MCULE-9450414421 |
0.67 |
C1(CCCCC1OC(C)=O)=CC(C)C
|
|
| MCULE-8493622164 |
0.67 |
[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=CC
|
|
| MCULE-9024401259 |
0.67 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C=CC
|
|
| MCULE-7055938722 |
0.67 |
O=C1C23C4CCC5(C)C(C6COC(C=6)=O)CCC5(C4(CCC2(O)CC(O)CC3)O1)[H]
|
|
| MCULE-3733595575 |
0.67 |
C(/C)(\C)=C/C1C(C)(C)C1C(=O)OC1CC(=O)C(CC=C)=C1C
|
|
| MCULE-9145801664 |
0.67 |
C123CCC4[C@@](C)(CCC[C@@]4(C)C(O)=O)C1CCC(C(=C)[C@H]2OC(=O)/C(/C)=C\C)C3
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| MCULE-8952317949 |
0.67 |
CCCC[C@H]1C2=C(C=CCC2)C(=O)O1
|
|
| MCULE-9958013133 |
0.67 |
C1CC2C(CCCC)OC(=O)C=2C=C1
|
|
| MCULE-4817885625 |
0.67 |
OC1OC(=O)C=C1C1CC=C(CCC=C(C)CCC2=C(CCCC2(C)C)C)C(O)O1
|
|
| MCULE-9883764892 |
0.67 |
C1(=CCCC1)C(=O)OCC
|
|
| MCULE-6391439575 |
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CCCC1C(=C(C(O)=O)C)COC1
|
|
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0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]12CCC(=O)O1)[H]
|
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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
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CC(O)C(=O)C1(C)CC2C(C)=C3CC(=O)OC(C)(C)C3=CCC2(C)C2=C1COC2=O
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| MolPort-039-052-280 |
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CCCCC1OC(=O)C2=C1CCC=C2
|
|
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OC1CC(=CC(O)C1O)C(=O)OC1C=C(CC(O)C1O)C(O)=O
|
|
| MolPort-002-510-452 |
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C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
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COC(=O)\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
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CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@](C)(O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
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C[C@]12CCC3[C@@H](CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
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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
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C\C=C\C(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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[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
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CCCC[C@@H]1OC(=O)C2=C1CCC=C2
|
|
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COC(=O)C1=CCCCCC1
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|
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[2H]C([2H])([2H])OC(=O)\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
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|
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
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CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
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C\C=C(\C)C(=O)O[C@@H]1C(=C)C2CC11CCC3[C@@](C)(CCC[C@@]3(C)C(O)=O)C1CC2
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|
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CC(C)\C=C1/CCCCC1OC(C)=O
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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
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]21CCC(=O)O1
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|
| MolPort-003-855-527 |
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)\C=C\C
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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
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CCOC(=O)C1=CCCC1
|
|
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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
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0.67 |
COC(=O)C1=CC2CCC3C(CCC12)C=C3C(=O)OC
|
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| MolPort-001-742-234 |
0.67 |
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-035-706-363 |
0.67 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-046-762-479 |
0.67 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@@](C)(O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-001-741-949 |
0.66 |
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-019-936-812 |
0.66 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CC\C(=C\CC1)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
|
|
| MolPort-001-739-435 |
0.66 |
CC1(C)CCC[C@@]2(C)[C@H]1[C@H](O)C=C1COC(=O)[C@]21O
|
|
| MolPort-005-944-113 |
0.66 |
CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1[C@H](O)C=C1COC(=O)[C@]21O
|
|
| MolPort-001-739-764 |
0.66 |
CC1(C)C(O)CCC2(C)C1C(O)C=C1COC(=O)C21O
|
|
| MolPort-038-386-082 |
0.66 |
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-005-944-999 |
0.66 |
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-005-945-954 |
0.66 |
CC1(C)CC2C(C1)C(C)(O)CC1=C(C(O)OC1=O)C2O
|
|
| MolPort-035-706-503 |
0.66 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-021-804-738 |
0.66 |
CC1=C2CC3C(CCC3(C)O)C(C)(O)CC2OC1=O
|
|
| MolPort-046-657-168 |
0.66 |
CC(C)(C)OC(=O)C1=CCC(CN)CC1
|
|
| MolPort-021-804-814 |
0.66 |
CC1C2CCC3C(C)(C)CCC(O)C3(C)C2CC2(O)OC(=O)C=C12
|
|
| MolPort-046-671-926 |
0.66 |
CCOC(=O)C1=CCC(CN)CC1
|
|
| MolPort-005-945-460 |
0.66 |
C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-039-339-046 |
0.66 |
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-000-773-895 |
0.66 |
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
|
|
| MolPort-002-111-466 |
0.66 |
CC(=O)OCC1=C(C)CCC1C(C)=C
|
|
| MolPort-039-338-852 |
0.66 |
COC(=O)CC[C@@]1(C)[C@@H](CC[C@@H]2C1=CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CC\C=C(\C)C(O)=O)C(C)=C
|
|
| MolPort-023-221-738 |
0.66 |
CCCCCCCCCCCCCCCCCCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
|
|
| MolPort-003-935-397 |
0.66 |
CCCCCCCCCCCCCCCCCCOC(=O)[C@@]1(C)CC[C@]2(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]2C1
|
|
| MolPort-046-148-587 |
0.66 |
CCCC1CC=CC(=O)O1
|
|
| MolPort-046-697-140 |
0.66 |
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
|
|
| MCULE-4173076088 |
0.66 |
C12(C)C3C(C4OC3(C)C=C4)C(C)(O1)C(C(=O)OC)=C2C(=O)OC
|
|
| MCULE-9254356497 |
0.66 |
C12(C)C3C(C4(C)OC3(C)C=C4)C(C)(O1)C(C(=O)OC)=C2C(=O)OC
|
|
| MCULE-2931298979 |
0.66 |
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-9779909061 |
0.66 |
O=C1C(=C)[C@@]2(CCC(=C3[C@@]([H])([C@@]2([H])O1)C(C)=CC3=O)C)[H]
|
|
| MCULE-1838518608 |
0.66 |
C1(CC(CCCCCCCCCCC(O)C2CCC(C3CCC(C(CCCCCCCCCC)O)O3)O2)O)=CC(OC1=O)C
|
|
| MCULE-6120787334 |
0.66 |
C12CC34CCCCC3(C=C1)C4C(=O)O2
|
|
| MCULE-2062809477 |
0.66 |
[C@@H]1(C)CC[C@@H](O)C=CC(=O)O[C@H](C)[C@@H](O)C=CC(=O)O1
|
|
| MCULE-5162561663 |
0.66 |
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-7717916149 |
0.66 |
C12CC3=C(C)C(=O)OC3CC(O)(C)C1CCC2(C)O
|
|
| MCULE-2060297166 |
0.66 |
C1C(O)C2(C)C3CC4(O)OC(=O)C=C4C(C)C3CCC2C(C)(C)C1
|
|
| MCULE-7375457275 |
0.66 |
CC(C(O)=O)=C1CC(C2CC2)OC1
|
|
| MCULE-9207728452 |
0.66 |
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 |
0.66 |
[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-7151123890 |
0.66 |
C1(COC(C)=O)=C(C)CCC1C(C)=C
|
|
| MCULE-2565102940 |
0.66 |
OC(C=C1CC(C2CC2)OC1)=O
|
|
| MCULE-2234048518 |
0.66 |
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-5015030206 |
0.66 |
CCCCCCCCCCCCCCCCCCOC([C@]1(CC[C@@]2(C)[C@](C3=CC([C@]4([C@](CC[C@@]5([C@@]4(CC[C@](O)(C5(C)C)[H])C)[H])(C)[C@]3(C)CC2)[H])=O)(C1)[H])C)=O
|
|
| MCULE-5243784193 |
0.66 |
C(OCCCCCCCCCCCCCCCCCC)(=O)[C@@]1(C[C@@]2(C3=CC([C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC[C@]2(CC1)C)C)C)C(C)(C)[C@H](CC5)O)=O)[H])C
|
|
| MCULE-8267556474 |
0.66 |
C12C3C(C)(CCC(C)(C3)C(=O)OC3CCCCC3C)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-9246661061 |
0.66 |
C(C(=O)OC)C[C@]1(C)C2=CC[C@@]3([C@@]([H])([C@@H](CC/C=C(\C(O)=O)/C)C)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C
|
|
| MCULE-7772727437 |
0.66 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)[H]
|
|
| MCULE-7365003259 |
0.66 |
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-8456669141 |
0.66 |
C1(=C2CCC(O[C@@]2(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1)=O)C
|
|
| MCULE-5872033859 |
0.66 |
C1CC2(C)C3(O)C(O)OC(=O)C3=CCC2C(C)(C)C1
|
|
| MCULE-8081626398 |
0.66 |
C1(OC(/C=C/C(O)C(C)O)C(CC1)OC(=O)/C(/C)=C/C)=O
|
|
| MCULE-3415626329 |
0.66 |
C(=C1/C(O)C=C(C)C/1=O)/C(O)(C)CC/C=C(\C)/C1CC=C(C)C(=O)O1
|
|
| MCULE-4732002318 |
0.66 |
C1(C)=CCC(/C(/C)=C/CC/C(/C)=C/C2C(=O)C(C)=CC2O)OC1=O
|
|
| MCULE-6317774895 |
0.66 |
C(C)(=O)OC1CCC23C4CCC5(C)C(C6COC(C=6)=O)CCC5C4(CCC2(O)C1)OC3=O
|
|
| MCULE-8902402936 |
0.66 |
CC1([C@@H]2C(COC(C3C4OC(CC4)C3)=O)=CC[C@H]1C2)C
|
|
| MCULE-8496994310 |
0.66 |
COC(C[C@H](OC(C1CCCCC=1)=O)C)=O
|
|
| MCULE-2983690182 |
0.66 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3C(C=C2C1)=O
|
|
| MCULE-9414880096 |
0.66 |
C1(CC2C=CC(O2)C1)=CC(OC)=O
|
|
| MCULE-4024956051 |
0.66 |
[C@]12(C)CCC3[C@@]([H])(C(=O)C=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-6247777566 |
0.66 |
C1CC2(C3C(C(=O)C=C2CC1OC(C)=O)C1CCC(C(CCCC(C)C)C)C1(C)CC3)C
|
|
| MCULE-8770472130 |
0.66 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C(C=C2C1)=O)C(C)=O
|
|
| MCULE-7016066089 |
0.66 |
C12C3C4C5C1C(C(OC)=O)=C(C(OC)=O)C5C2C4CC3
|
|
| MCULE-7304039848 |
0.66 |
C1C[C@]2(C)C[C@@]3([H])OC(=O)C(=C)[C@@]3([H])C[C@@]2([H])C(=C)C1
|
|
| MCULE-1298920669 |
0.66 |
C1(=O)OC2C(CC3(C(C)(CCCC3=C)C2)[H])C1=C
|
|
| MCULE-8316292329 |
0.66 |
C1(=O)O[C@H]2[C@H](C[C@@]3([C@](C)(CCCC3=C)C2)[H])C1=C
|
|
| MCULE-3305666834 |
0.66 |
[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-6561827943 |
0.66 |
C1=CC2C(CC(C)C2OC(=O)C)C2C1C(C)C(O)CC1CC(O)=C(C(=O)O1)C2
|
|
| MCULE-1091339345 |
0.66 |
O=C(C1CCCCCC=1)OC1COCC1
|
|
| MCULE-8836163795 |
0.66 |
C12CC3CC4CC5C(=O)OC(=O)C=5CC=4CC=3CC=1C(OC2=O)=O
|
|
| MCULE-1591927709 |
0.66 |
C1C=C(C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=O)CC[C@H]2C(=C)C(=O)O[C@@H]2C=C(C1)C
|
|
| MCULE-8720311593 |
0.66 |
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-4127784247 |
0.66 |
C1C(=O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)[C@@]5([H])CC(C)=C(CO)C(=O)O5)CC[C@@]4([H])[C@]3([H])[C@H](O)C=C2CC=1
|
|
| MCULE-4960112087 |
0.66 |
[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-5967543500 |
0.66 |
C1CC2(C3(O)C(=CC(O)C2C(C)(C)C1O)COC3=O)C
|
|
| MCULE-8052397157 |
0.66 |
C1C[C@@]2(C3(C(=C[C@H]([C@@]2([H])C(C)(C)C1)O)COC3=O)O)C
|
|
| MCULE-7624822737 |
0.66 |
[C@@H]1(O)C[C@@]2(C3(C(=C[C@H]([C@]2(C(C)(C)C1)[H])O)COC3=O)O)C
|
|
| MCULE-1428350503 |
0.66 |
C12C(O)OC(=O)C=1CC(O)(C)C1CC(C)(C)CC1C2O
|
|
| MolPort-001-741-130 |
0.66 |
CC1=C2CCC(=O)O[C@@]2(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-006-668-580 |
0.66 |
CC1(C)CCCC2(C)C1CC=C1C(=O)OC(O)C21O
|
|
| MolPort-046-762-859 |
0.66 |
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-023-274-418 |
0.66 |
C\C(=C/CCC(C)(O)\C=C1/C(O)C=C(C)C1=O)C1CC=C(C)C(=O)O1
|
|
| MolPort-001-740-033 |
0.66 |
C\C=C(/C)C(=O)OC1CCC(=O)OC1\C=C\C(O)C(C)O
|
|
| MolPort-028-854-621 |
0.66 |
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-001-742-347 |
0.66 |
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-046-418-658 |
0.66 |
CC1=CCC2=C(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
|
|
| MolPort-035-742-837 |
0.66 |
CC1(C)[C@@H]2C[C@H]1C(COC(=O)C1CC3CCC1O3)=CC2
|
|
| MolPort-001-742-346 |
0.66 |
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-023-274-365 |
0.66 |
C\C(CC\C=C(/C)C1CC=C(C)C(=O)O1)=C/C1C(O)C=C(C)C1=O
|
|
| MolPort-029-924-743 |
0.66 |
COC(=O)C[C@@H](C)OC(=O)C1=CCCCC1
|
|
| MolPort-002-510-591 |
0.66 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H]3C(CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-046-762-538 |
0.66 |
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-027-849-841 |
0.66 |
CC(C)CCCC(C)C1CC[C@H]2C3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-006-112-402 |
0.66 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-002-512-334 |
0.66 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1=C
|
|
| MolPort-035-706-554 |
0.66 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-039-338-106 |
0.66 |
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-039-339-221 |
0.66 |
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-046-697-331 |
0.66 |
CC1CC2C(C=CC3C2CC2=C(O)CC(CC(O)C3C)OC2=O)C1OC(C)=O
|
|
| MolPort-029-937-857 |
0.66 |
O=C(OC1CCOC1)C1=CCCCCC1
|
|
| 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-046-153-753 |
0.65 |
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-027-720-856 |
0.65 |
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-035-706-229 |
0.65 |
CC1=C2C[C@H]3[C@](C)(O)CCC[C@]3(C)C[C@]2(O)OC1=O
|
|
| MolPort-046-158-398 |
0.65 |
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-002-525-135 |
0.65 |
C[C@]12CCC3[C@@H](CCC4=C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
|
|
| MolPort-046-156-417 |
0.65 |
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-046-598-125 |
0.65 |
CCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-528-163 |
0.65 |
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-046-596-237 |
0.65 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C)=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-046-761-598 |
0.65 |
[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-005-933-646 |
0.65 |
[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
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|
| MolPort-003-892-390 |
0.65 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-006-106-573 |
0.65 |
[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-002-525-134 |
0.65 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C)=C4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-506-971 |
0.65 |
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-039-338-282 |
0.65 |
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-035-706-364 |
0.65 |
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-002-116-802 |
0.65 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC(C)=C4C(C)=O)C3CC=C2C1
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|
| MolPort-002-510-540 |
0.65 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-042-675-285 |
0.65 |
CC1(C)CCCC2(C)C1C(OC(=O)CCC(O)=O)C=C1COC(=O)C21O
|
|
| MolPort-006-147-884 |
0.65 |
CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C=CC2O)C(=C)C5
|
|
| MolPort-046-764-698 |
0.65 |
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-038-386-482 |
0.65 |
CC1=C2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3CC1)C(CO)=CC2=O
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|
| MolPort-046-764-697 |
0.65 |
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-039-338-531 |
0.65 |
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
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| MolPort-002-507-417 |
0.65 |
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
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|
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0.65 |
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
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|
| MolPort-021-804-605 |
0.65 |
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-002-984-651 |
0.65 |
CC12C3C(C(O)=O)C45CC(=C)C(O)(C4)CCC5C3(OC1=O)C=CC2O
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|
| MolPort-021-804-860 |
0.65 |
CC1OC(=O)C2C3(C)C(CC4C(C)(C=CC(=O)OC4(C)C)C3CC(=C)C2(C)C1=O)OC(C)=O
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|
| MolPort-035-705-813 |
0.65 |
COC1OC(=O)C(CC[C@@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CCC=C3C(O)=O)=C1
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| MolPort-039-338-306 |
0.65 |
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
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|
| MolPort-002-528-272 |
0.65 |
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
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| MolPort-046-687-428 |
0.65 |
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
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|
| MolPort-007-549-415 |
0.65 |
CC(=O)OC1CCC2(C=O)[C@H]3CCC4(C)C(CCC4(O)[C@@H]3CCC2(O)C1)C1=CC(=O)OC1
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|
| MolPort-002-527-547 |
0.65 |
[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
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| MolPort-019-795-852 |
0.65 |
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
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| MolPort-046-153-794 |
0.65 |
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC(=O)[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
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|
| MolPort-035-705-922 |
0.65 |
CC1(C)CCC[C@]2(C)[C@@H](C\C=C3/C(O)COC3=O)C(=C)CC[C@@H]12
|
|
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0.65 |
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
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|
| MolPort-002-530-312 |
0.65 |
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
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|
| MolPort-035-705-919 |
0.65 |
CC1(C)CCC[C@]2(C)[C@@H](C\C=C3/CC(O)OC3=O)C(=C)CC[C@@H]12
|
|
| MolPort-001-742-530 |
0.65 |
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
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|
| MolPort-002-708-424 |
0.65 |
CC(=O)OC1CCC2(C=O)C3CCC4(C)CC(CC4(O)C3CCC2(O)C1)C1=CC(=O)OC1
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|
| MCULE-2476844831 |
0.65 |
C1C[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@]2([H])[C@@](O)(C)C1
|
|
| MCULE-9566808009 |
0.65 |
[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
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| MCULE-9744281698 |
0.65 |
[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
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| MCULE-2147966582 |
0.65 |
[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
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| MCULE-9824449913 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)=C2C(C)=O
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|
| MCULE-2662745028 |
0.65 |
C[C@@]12[C@H]3C(C=C4[C@@H]5C[C@@]6(C)C(=O)O[C@@H]([C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]1C(C)(C)[C@@H](O)CC2)C6)=O
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| MCULE-3011305929 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(C)=O)[H]
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|
| MCULE-1496776491 |
0.65 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(CC)=O)[H]
|
|
| MCULE-7465845608 |
0.65 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC(C)=C2C1)C(C)=O
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|
| MCULE-1665605717 |
0.65 |
[Na+].[Na+].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
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0.65 |
[Na+].[Na+].[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
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|
| MCULE-7414624056 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC=C2C(C)=O
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|
| MCULE-9952649566 |
0.65 |
CC12CCC3([H])C4(CCC(OC(=O)C)CC4=C(C)CC3([H])C1([H])CC(C)=C2C(=O)C)C
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|
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0.65 |
[Na+].CC12CCC3([H])C(C(OC(=O)CCC([O-])=O)CCC3(C)C1([H])C(C=C1C3([H])CC(C)(C(O)=O)CCC3(C)CCC21C)=O)(C)C
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0.65 |
C12OC1C(=O)C(CO)=CCC(CC/C=C(\C)/C)(C)C=CC(OC(=O)/C=C(\C)/C)C2(C)O
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0.65 |
CCCC1C(=CC(C)=O)COC1
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|
| MCULE-9039426592 |
0.65 |
CCOC(C(C)=C1COC(C)CC1)=O
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| MCULE-4026127058 |
0.65 |
C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2=1)=O)[H]
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|
| MCULE-3724610609 |
0.65 |
CC1OCC(=CC(OC(C)(C)C)=O)CC1
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|
| MCULE-5004523631 |
0.65 |
C(OCC1CCC1)(=O)C([H])=C([H])C1CCC1
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|
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0.65 |
C1CC2(C)C3(O)C(=O)OCC3=CC(OC(CCC(=O)O)=O)C2C(C)(C)C1
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| MCULE-5494151913 |
0.65 |
C1=CC23OC(=O)C(C)(C2([H])C(C(O)=O)C24CC([H])(C(=C)C2)CCC43[H])C1O
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0.65 |
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
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0.65 |
[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
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0.65 |
OCC1=CC(C2=C(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@]21[H])=O
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0.65 |
[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
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0.65 |
C123C=CC(C(C(=O)O1)(C)C2C(C12CC(C(C1)(O)CCC23)=C)C(O)=O)O
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0.65 |
[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
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0.65 |
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
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0.65 |
C1CC(C)(C)[C@@]2([H])[C@@](C)([C@@](CO)(C(=C[C@H]2OC(/C=C/C=C/C)=O)CO)O)C1
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0.65 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(OC)OC3=O)[C@H](C)CC[C@@]2(C)C(C(=O)O)=C1
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0.65 |
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
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C12C3C(OC(C)(C)C)C4C(C3C(C(=O)OC)=C1C(=O)OC)C24
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0.65 |
O(C1C(C=CC2(C)CC=CCC21)=O)C(C)=O
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C12(O)CC(CC1(C)CCC1C2CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
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C12(O)CCC(C1(C)CCC1([H])C2([H])CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
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0.65 |
CC12CCCC(C)(C)C1CCC(=C)C2CC=C1CC(O)OC1=O
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[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
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0.65 |
[C@H]1(C[C@]2(C)C(=CC(=O)O2)C(C)(C)C1)O
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C1CC2(C)C(=CC(=O)C3C2CCC2(C)C(=O)CCC32)CC1OC(=O)C
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CC(=O)O[C@H]1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C1)C)[H])C
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0.65 |
[C@]12(C)CCC(CC1=CC(=O)C1C2CC[C@]2(C1CCC2OC(C)=O)C)OC(C)=O
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[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
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[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
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C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H]4C[C@@H]4[C@@]3([H])[C@]1([H])[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C
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[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
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0.65 |
C1CC2(C)C(C(C(=O)O)(C)C1)CC=C1C2CC(OC(C)=O)C(C)(C=C)C1
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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
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0.65 |
C12(O)CCC(C1(C)CCC1C2CCC2C1(C)CCC(O)C2)C1COC(=O)C=1
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0.65 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@@](CCC21)(C)OC(=O)C)=O
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|
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0.65 |
OC12CCC(C3=CC(=O)OC3)C1(CCC1([H])C3(CCCCC3([H])CCC21[H])C)C
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|
| MCULE-8897168578 |
0.65 |
CC(C=C1CC(C2CC2)OC1)=O
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|
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0.65 |
C(O[C@@H]1[C@]2(C)[C@H]([C@H]3[C@H](CC2)[C@]2(C)C(=CC(=O)CC2)CC3)CC1)(=O)C
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|
| MCULE-1850569909 |
0.65 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CCC43)C1CC[C@@H]2OC(C)=O
|
|
| MCULE-3280168913 |
0.65 |
C1C(C(CCC=1C)CC(OCC)=O)O
|
|
| MCULE-5241313012 |
0.65 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O
|
|
| MCULE-3758685184 |
0.65 |
O(C(C)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O
|
|
| MCULE-6913740702 |
0.65 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)([H])OC(C)=O
|
|
| MCULE-9650544498 |
0.65 |
[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)OC(=O)C
|
|
| MCULE-3483169056 |
0.65 |
[C@H]12OC(C(=C)C1[C@@H](CC(=C)[C@]1([H])CC(=O)[C@@H](C)[C@]21[H])OC(=O)/C(=C/CO)/COC(=O)/C(/C)=C/CO)=O
|
|
| MCULE-5685250499 |
0.65 |
C1(C(CCCCCCCCCCCCC)=O)=C(O)C[C@@]([H])(CCC)OC1=O
|
|
| MCULE-7151815147 |
0.65 |
C1(C(CCCCCCCCCCC)=O)=C(O)C[C@@]([H])(CCC)OC1=O
|
|
| MCULE-2130027368 |
0.65 |
C1(CCC2C3C(CCC12C)C1(C)CCC(CC1=CC3)OC(C)=O)=C(C#N)C(OCC)=O
|
|
| MCULE-3365689266 |
0.65 |
C1(CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3)OC(C)=O)=C(C#N)C(OCC)=O
|
|
| MCULE-7441378184 |
0.65 |
C1(CC[C@@]2([H])[C@]3([C@]([H])(CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3)OC(C)=O)[H])=C(C#N)C(OCC)=O
|
|
| MCULE-7211931015 |
0.65 |
C12=C[C@@H](CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)[H])OC(CCC)=O
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|
| MCULE-5014476622 |
0.65 |
[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-9798772296 |
0.65 |
O=C(C1CCCCC=1)OC1CCC2(OCCO2)CC1
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|
| MCULE-8952366396 |
0.65 |
C1=CC2CC1(C13CC(C(C(OC)=O)=C1C(OC)=O)C=C3)C(C(OC)=O)=C2C(OC)=O
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|
| MCULE-9972205159 |
0.65 |
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-3521793580 |
0.65 |
C1[C@@H](O)[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
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|
| MCULE-1028193763 |
0.65 |
C1C(O)C2(C(C3C(CC2)C(=C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-4072737339 |
0.65 |
C1CC2(C)C3CC4(O)OC(=O)C=C4C(C)C3C(O)CC2C(C)(CO)C1
|
|
| MCULE-3821215089 |
0.65 |
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-5611461738 |
0.65 |
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
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|
| MCULE-8026798132 |
0.65 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C5=C(CC(=C(C5CC4C3CC=C2C1)C(OC)=O)C(OC)=O)C(C)=O
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| MolPort-002-818-342 |
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CC(=O)OC1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OC(C)=O
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C[C@@]12C[C@@H](O)CC(C)(C)C1=CC(=O)O2
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| MolPort-039-338-575 |
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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
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| MolPort-046-690-008 |
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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](OC(C)=O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
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|
| MolPort-046-790-415 |
0.65 |
C[C@]12C[C@@H](O)CC(C)(C)C1=CC(=O)O2
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| MolPort-002-911-147 |
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CC(=O)O[C@@]1(C)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
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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
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|
| MolPort-003-847-034 |
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C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
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| MolPort-028-854-624 |
0.65 |
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
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|
| MolPort-000-847-946 |
0.65 |
CC12CCC3C(CCC4CC(O)CCC34C)C1(O)CCC2C1=CC(=O)OC1
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| MolPort-007-549-413 |
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CC12CC[C@H]3[C@@H](CCC4CC(O)CCC34C)C1(O)CC[C@H]2C1=CC(=O)OC1
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|
| MolPort-046-765-549 |
0.65 |
[2H]C1([2H])C(=O)O[C@]2([C@H]3C[C@H]3[C@H]3[C@@H]4[C@H]5C[C@H]5C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C1([2H])[2H]
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| MolPort-001-742-706 |
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CC(=O)OC1CC2C(CC1(C)C=C)=CCC1C2(C)CCCC1(C)C(O)=O
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|
| MolPort-046-689-666 |
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C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
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|
| MolPort-006-111-351 |
0.65 |
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
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|
| MolPort-046-761-515 |
0.65 |
C[C@@H]1C[C@@]2(CCC(=O)O2)[C@@]2(C)CC[C@H]3C([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@H]12
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| MolPort-046-701-787 |
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C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@]21CCC(=O)O1
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| MolPort-046-596-961 |
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CC(=O)OC1CC[C@@]2(C)C(CCC3[C@@H]2CC[C@]2(C)[C@@H](CCC32O)C2=CC(=O)OC2)C1
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|
| MolPort-001-836-303 |
0.65 |
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-002-513-646 |
0.65 |
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
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|
| MolPort-046-683-997 |
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(C)C(=O)O1
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|
| MolPort-002-528-923 |
0.65 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-003-873-418 |
0.65 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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|
| MolPort-006-823-213 |
0.65 |
CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
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|
| MolPort-046-762-562 |
0.65 |
CC(=O)OC1(C)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
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| MolPort-046-596-338 |
0.65 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CC[C@]12C
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|
| MolPort-046-596-285 |
0.65 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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|
| MolPort-001-742-441 |
0.65 |
C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H](OC(=O)C(\COC(=O)C(\C)=C\CO)=C\CO)C1[C@@H]2OC(=O)C1=C
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|
| MolPort-044-755-207 |
0.65 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-006-111-314 |
0.65 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-002-508-571 |
0.65 |
CC(=O)O[C@H]1CCC2[C@@H]3CCC4=CC(=O)CCC4C3CC[C@]12C
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|
| MolPort-002-520-429 |
0.65 |
CCOC(=O)C(\C#N)=C1/CC[C@H]2[C@@H]3CC=C4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
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|
| MolPort-030-040-914 |
0.65 |
CCOC(=O)C(\C#N)=C1/CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
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|
| MolPort-002-529-747 |
0.65 |
CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
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|
| MolPort-046-597-649 |
0.65 |
CCCC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
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|
| MolPort-021-804-541 |
0.65 |
CC(=O)OC1C(O)C=C(C)C2CC3C(CC12C)OC(=O)C3=C
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|
| MolPort-002-507-135 |
0.65 |
CCOC(=O)C(\C#N)=C1/CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-000-834-002 |
0.65 |
CCOC(=O)C(\C#N)=C1\CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
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|
| MolPort-029-924-741 |
0.65 |
O=C(OC1CCC2(CC1)OCCO2)C1=CCCCC1
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|
| MolPort-019-937-301 |
0.65 |
CC\C=C/CC1=C(CCCCC2CCC(=O)O2)C(CC1=O)OC
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|
| MolPort-002-526-910 |
0.65 |
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-005-945-900 |
0.65 |
CC1C2C(O)CC3C(C)(CO)CCCC3(C)C2CC2(O)OC(=O)C=C12
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|
| MolPort-005-945-167 |
0.65 |
CC1=CCC(O)C2(C)CCC3C(OC(=O)C3=C)C12
|
|
| MolPort-035-706-215 |
0.65 |
CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
|
|
| MolPort-044-754-158 |
0.65 |
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-044-754-162 |
0.65 |
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-046-628-950 |
0.65 |
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-028-744-489 |
0.65 |
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
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|
| MolPort-039-140-568 |
0.65 |
CC(C)=CC1[C@@H](C(=O)O[C@H]2CC(=O)C(C\C=C\C=C)=C2C)C1(C)C.COC(=O)C(\C)=C\C1[C@@H](C(=O)OC2CC(=O)C(C\C=C\C=C)=C2C)C1(C)C
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|
| MolPort-023-220-614 |
0.65 |
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-039-338-478 |
0.64 |
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-039-338-479 |
0.64 |
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
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|
| MolPort-009-014-420 |
0.64 |
CC(=O)OC(C)(C)[C@H]1CC=C(C)C(=O)C1
|
|
| MolPort-001-840-675 |
0.64 |
CC(=O)OC1CCC2(C)[C@@H](CCC3C4CC=C(C(C)=O)C4(C)CCC23)C1
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|
| MolPort-002-520-650 |
0.64 |
CC(=O)OC1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
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0.64 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
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|
| MolPort-046-596-271 |
0.64 |
CC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC(C)=C(C(C)=O)[C@@]4(C)CCC23)C1
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|
| MolPort-002-530-021 |
0.64 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC(C)=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
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|
| MolPort-028-748-704 |
0.64 |
COC(=O)C1=CC(=O)CCC1
|
|
| MolPort-019-940-195 |
0.64 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
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|
| MolPort-005-945-028 |
0.64 |
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
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0.64 |
CC(C)C1CCC2=C(C1\C=C(/CO)C(O)=O)C(=O)OC2
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0.64 |
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
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0.64 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
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0.64 |
CC1CCC\C=C\C\C=C/C(OC(=O)\C=C/C=C/C=C/C(O)=O)\C=C\C(=O)O1
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0.64 |
CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
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CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
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CO[C@H]1OC(=O)C=C1CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC=C2C
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[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
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C[C@H]1C[C@@H](O[C@@]11CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12)C=C(C)C
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CC1(C2[C@@H]1C1OC2C=C1)C(=O)OCC=C
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C\C1=C/CCC2C(OC(=O)C2CN2CCCCC2)\C=C(C)\CC1
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CC12C(CCC1(O)C1CCC3CC(O)CCC3(C)C1CC2O)C1=CC(=O)OC1
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C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@@H](CO)CC1=CC(=O)CC[C@]31C
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0.64 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(O)=O
|
|
| MolPort-002-509-108 |
0.64 |
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-002-799-019 |
0.64 |
COC(=O)C1=C(C2C3C4CC2C1C34)C(=O)OC
|
|
| MolPort-007-549-410 |
0.64 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-046-682-815 |
0.64 |
C\C=C(/C)C(=O)OC1CC2C(O)CC3(C)C(=CCC4C5CCCC(C)(CO)C5CCC34C)C2CC1(C)C
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|
| MolPort-002-526-653 |
0.64 |
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-007-549-369 |
0.64 |
CC12C(CCC1(O)C1CCC3CC(O)CCC3(C)[C@H]1CC2O)C1=CC(=O)OC1
|
|
| MolPort-002-517-213 |
0.64 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)C1=CC=C2C1=CC(=O)OC1
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|
| MolPort-002-508-311 |
0.64 |
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
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|
| MolPort-009-019-637 |
0.64 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
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| MolPort-003-724-684 |
0.64 |
CC12CCC3C(CCC4(O)CC(O)CCC34CO)C1(O)CCC2C1=CC(=O)OC1
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| MolPort-046-418-865 |
0.64 |
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
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| MolPort-002-507-211 |
0.64 |
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
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| MolPort-004-955-165 |
0.64 |
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-046-596-771 |
0.64 |
CC12CC[C@H]3C(CCC4CC(=O)CCC34C)C1=CC=C2C1=CC(=O)OC1
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|
| MolPort-039-338-147 |
0.64 |
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
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| MolPort-027-640-876 |
0.64 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C\C=C/CCCC(=O)OC(C)C
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| MolPort-002-507-406 |
0.64 |
C[C@]12CCC3C(CC[C@]4(O)C[C@@H](O)CC[C@]34CO)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1
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|
| MolPort-001-740-737 |
0.64 |
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
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| MolPort-001-741-129 |
0.64 |
CC1=C(CCC(O)=O)[C@@](C)(O)[C@@H]2OC(=O)C(=C)[C@@H]2CC1
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|
| MolPort-044-561-064 |
0.64 |
CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)C12)OC(=O)CCC
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|
| MolPort-001-740-739 |
0.64 |
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
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| MolPort-039-052-399 |
0.64 |
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
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| MolPort-005-944-878 |
0.64 |
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
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| MolPort-003-983-809 |
0.64 |
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
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0.64 |
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
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| MolPort-006-111-246 |
0.64 |
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
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|
| MolPort-002-507-402 |
0.64 |
CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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0.64 |
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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| MolPort-000-726-176 |
0.64 |
CCCCCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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0.64 |
CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
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0.64 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
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| MolPort-003-959-766 |
0.64 |
CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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| MolPort-042-652-640 |
0.64 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2OC(=O)CCC1CCCC1
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0.64 |
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C
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0.64 |
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
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0.64 |
CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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0.64 |
CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
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|
| MCULE-7247024759 |
0.64 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O
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|
| MCULE-4135658146 |
0.64 |
COC(C=C1CC(C(C)C)OC1)=O
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|
| MCULE-4795427452 |
0.64 |
C(C1CC=C(C)C(=O)C1)(C)(C)OC(=O)C
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|
| MCULE-4012121864 |
0.64 |
[C@@H]1(CC=C(C)C(=O)C1)C(C)(C)OC(=O)C
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|
| MCULE-8955872900 |
0.64 |
CCC1OCC(=CC(OC)=O)C1
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| MCULE-9034458089 |
0.64 |
C12C3OC(C=C3)C1C1OC2C2C3OC(C(C(=O)OC)=C3C(=O)OC)C12
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|
| MCULE-9709244279 |
0.64 |
C12C3C(C4OC3CC4)C(O1)C(C(=O)OC)=C2C(=O)OC
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|
| MCULE-4099453023 |
0.64 |
C1(C(OCC)=O)C(=O)CC(C(OCC)=O)C=1C
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| MCULE-2488392484 |
0.64 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC(C)=C2C(C)=O)[H]
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|
| MCULE-9379833788 |
0.64 |
O=C1CCCC(C(=O)OC)=C1
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|
| MCULE-2972497233 |
0.64 |
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-8645812725 |
0.64 |
C1CCC=CCC=CC(C=CC(OC1C)=O)OC(=O)/C=C\C=C\C=C\C(O)=O
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|
| MCULE-6114611450 |
0.64 |
C12=C[C@@H](CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)[H])OC(C)=O
|
|
| MCULE-5787926051 |
0.64 |
C1CC2COC(C=2C(C1C(C)C)/C=C(\CO)/C(=O)O)=O
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|
| MCULE-7623122514 |
0.64 |
C12=CC(CCC1(C)C1C(C3CCC(C(C)=O)(OC(C)=O)C3(CC1)C)C=C2C)OC(C)=O
|
|
| MCULE-1683005483 |
0.64 |
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
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|
| MCULE-3044681837 |
0.64 |
CCOC(C1=CC2CCC1C=C2)=O
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|
| MCULE-7361919999 |
0.64 |
O1C(=O)C(=C)[C@]2([H])CCC(C)=C3[C@@]([H])([C@@]12[H])[C@@](O)(C)CC3
|
|
| MCULE-4936356690 |
0.64 |
C1C[C@@]2([H])[C@@](C)(CC[C@H]([C@@]2(CCC2[C@@H](OC)OC(=O)C=2)C)C)C(C)=C1
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|
| MCULE-2901288503 |
0.64 |
C1(=O)C(=C)[C@]2([H])CCC(C)=C3CC[C@@](C)(O)[C@]3([H])[C@@]2([H])O1
|
|
| MCULE-1137152976 |
0.64 |
C1(CN2CCCCC2)C2CCC=C(C)CCC(C)=CC2OC1=O
|
|
| MCULE-1371851391 |
0.64 |
C12C(=O)OC(O)C=1CC(OC)(C)C1CC(C)(C)CC1C2O
|
|
| MCULE-9544471726 |
0.64 |
C1(CCC(CC=1C)=O)C(OCC)=O
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|
| MCULE-6797419887 |
0.64 |
C12(CCC3(C)CC4C(O)(C)CC(=O)C4C(C=O)=CCC13)C(C)CC(/C=C(\C)/C)O2
|
|
| MCULE-2678037862 |
0.64 |
[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-6887763526 |
0.64 |
[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-5124685906 |
0.64 |
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-8457539977 |
0.64 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C=3CCC2(C1)[H])OC(C)=O)=O
|
|
| MCULE-2575982393 |
0.64 |
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 |
0.64 |
CC=C(C)C(OC1CC2C(CC3(C)C(C2CC1(C)C)=CCC1C3(CCC2C1CCCC2(CO)C)C)O)=O
|
|
| MCULE-5598679764 |
0.64 |
O=C1C=C(CO1)C1CCC2(O)C1(C)CCC1C2CCC2(O)CC(O)CCC21C
|
|
| MCULE-8304268118 |
0.64 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(O)=O)=O)C)=O
|
|
| MCULE-2818532213 |
0.64 |
[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-6460959687 |
0.64 |
C12C3C4CC1C2C4C(C(OC)=O)=C3C(OC)=O
|
|
| MCULE-3919630131 |
0.64 |
O=C1C=C(CO1)C1CCC2(O)C1(C)CC(O)C1C2CCC2CC(O)CCC21C
|
|
| MCULE-7243993523 |
0.64 |
[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-8328775128 |
0.64 |
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-5993142660 |
0.64 |
C12(O)CCC(C3COC(=O)C=3)C1(C)C(O)CC1C3(C(CC(CC3)O)CCC12)C
|
|
| MCULE-4697381379 |
0.64 |
C12(O)CCC(C1(C)CCC1C2CCC2(C1(CO)CCC(O)C2)O)C1COC(=O)C=1
|
|
| MCULE-4097681428 |
0.64 |
[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-4276889182 |
0.64 |
[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-3806067009 |
0.64 |
[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-6517626137 |
0.64 |
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-9641361394 |
0.64 |
[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-5275177846 |
0.64 |
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-2222797068 |
0.64 |
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 |
0.64 |
C1(=C(CCC(O)=O)[C@](O)(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1)C
|
|
| MCULE-2724365529 |
0.64 |
[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-7382046053 |
0.64 |
C1(C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CCCCCC)CC3)CC2)=O
|
|
| MCULE-5866611081 |
0.64 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-5822421820 |
0.64 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCCCCCCCC)=O)C)=O
|
|
| MCULE-2384003351 |
0.64 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCCCCCCCC)=O)C)=O
|
|
| MCULE-1602734224 |
0.64 |
O(C(CCCCCC)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O
|
|
| MCULE-8627319345 |
0.64 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CC)=O)C)=O
|
|
| MCULE-8407720746 |
0.64 |
C1(C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CCCCCCCCCC)CC3)CC2)=O
|
|
| MCULE-1753087854 |
0.64 |
C12C3C4CCCC4C1C(COC(C)=O)C1C4CCC5C(=O)C3C(C4=5)C21
|
|
| MCULE-9323409980 |
0.64 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-9000317976 |
0.64 |
O=C(CCC1CCCC1)O[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1
|
|
| MCULE-4909263569 |
0.64 |
C[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](OC(=O)CCCCCCCCCC)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-4772039176 |
0.64 |
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCC1CCCC1
|
|
| MCULE-5488659453 |
0.64 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CC)=O)C)=O
|
|
| MCULE-2006272354 |
0.64 |
CCOC(C(C)=C1C(C)C(C)OC1)=O
|
|
| MCULE-5874149529 |
0.64 |
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCCCCC
|
|
| MCULE-7045925975 |
0.64 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-4529602980 |
0.64 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CC)CC3)CC2
|
|
| MCULE-3608441851 |
0.64 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2OC(CCCCCCCCC)=O)[H]
|
|
| MCULE-1709257636 |
0.64 |
COC(C=C1C(C(C)C)COC1)=O
|
|
| MCULE-7385375420 |
0.64 |
CCC1C(=CC(OC)=O)COC1
|
|
| MCULE-7398153673 |
0.64 |
CC1C(C)C(=CC(OC(C)(C)C)=O)CO1
|
|
| MCULE-3893076732 |
0.64 |
COC(C=C1COC(C)CC1)=O
|
|
| MCULE-8613188927 |
0.64 |
CCCCCCC(O[C@@H]1[C@@]2(C)CC[C@@H]3[C@]4(C)C(=CC(CC4)=O)CC[C@H]3[C@@H]2CC1)=O
|
|
| MCULE-8392201259 |
0.64 |
C[C@@]12[C@@H](OC(=O)CCCCCCCCC)CC[C@]1([C@]1([C@]([C@@]3(C(=CC(=O)CC3)CC1)[H])([H])CC2)[H])[H]
|
|
| MCULE-1044387998 |
0.64 |
C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)CCC5CCCC5)CCC4C3CCC2=C1
|
|
| MCULE-1640770034 |
0.64 |
C1(C(OC)=O)C2C=CC(C3C=CC32)C=1C(OC)=O
|
|
| MCULE-9280913968 |
0.64 |
C1=CC2C3C(C=C2)C2=CCC(C(OC)=O)=C(C(=O)OC)C2C13
|
|
| MCULE-1909780355 |
0.64 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=C(C)Cl
|
|
| MCULE-8995686119 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)=C(C)Cl)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2782751278 |
0.64 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C(C)=C(C)Cl)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-3153400458 |
0.64 |
C1CC(C(=O)OC)=CCC1
|
|
| MCULE-5869293075 |
0.64 |
C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/COC(=O)C)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
|
|
| MCULE-5920266438 |
0.64 |
C1C[C@]2([H])[C@@](C)(CCC3=CC(=O)OC3O)[C@H](C)C[C@H](O)[C@@]2(C)C(CO)=C1
|
|
| MCULE-9989140296 |
0.64 |
NC1CC(C(OC2CCCC2)=O)=CC1
|
|
| MCULE-7484851551 |
0.64 |
[C@]12(CC[C@@](CC(=O)O)(C)O1)C(C)=CCC1[C@@]2(CCCC1(C)C)C
|
|
| MCULE-4882022453 |
0.64 |
COC1CC(OC(C2CCCC=2)=O)CC(OC)C1
|
|
| MCULE-6651693585 |
0.64 |
O=C1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CCC2=C1)C(O)=O
|
|
| MCULE-5472477242 |
0.64 |
C(C)(=O)OC1CC2=C3C4C(C5CCCC5C3C3C5CCC(C5(C)CCC3C2(C)CC1)C(OC(C1C2C3C5CCC6CCC7(C)CC(CC(=O)C)CCC7=C6C5C5(C)CC(CC(=O)C)CCC5=C3CCC2CC1)=O)=O)CC=C1CC(CCC14C)OC(C)=O
|
|
| MCULE-1584743999 |
0.64 |
[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 |
0.64 |
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-5198741898 |
0.64 |
[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-1499638877 |
0.64 |
CC(C(C1C(CC2C(O)C(O)C(CC(=CC(OCCCCCCCCC(=O)O)=O)C)OC2)O1)C)O
|
|
| MCULE-9841786738 |
0.64 |
[C@@]12([H])C=C(C)[C@H](OC(/C=C/C=C/CCC)=O)C[C@@H]3C(C)(C)[C@@H]3C=C(C)C(=O)[C@@]1(OC(C)=O)C[C@@H](C)[C@@H]2O
|
|
| MCULE-3657815830 |
0.64 |
[C@@H]12[C@@]3([H])C(=C)CC[C@@]3([H])C(CC[C@H]1C(C(=O)O2)=C)=C
|
|
| MCULE-4461233711 |
0.64 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC(O)=O)=O)C1CC=C2C(C)=O
|
|
| MCULE-2410723097 |
0.64 |
[C@]12([H])C(=C)CC[C@@]1([H])C(=C)CC[C@@]1([H])C(C(=O)O[C@]21[H])=C
|
|
| MCULE-1084105274 |
0.64 |
O1C(C(=C)[C@H]2CCC(=C)[C@H]3CCC(=C)[C@H]3[C@H]12)=O
|
|
| MCULE-6609866523 |
0.64 |
[C@@H]12[C@]3([H])C(=C)CC[C@@]3([H])C(CC[C@H]1C(C(=O)O2)=C)=C
|
|
| MCULE-3603972230 |
0.64 |
C1(CCC(=CC2CCCO2)C1=O)=CC1CCCO1
|
|
| MCULE-3799754175 |
0.64 |
C1CC(C)(C)C2C(C)(C1O)C1(C(COC1=O)=CC2OC(CCCCC)=O)O
|
|
| MCULE-3762294950 |
0.64 |
[C@]12(C)CCC3C(CC=C4C[C@H](CC[C@]34C)OC(=O)C=C(C)Cl)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2088102696 |
0.64 |
[C@H]12[C@H](CC3[C@@](C)(C([H])(C)CCC=3)C1([H])O)OC(=O)C2=C
|
|
| MCULE-2860009537 |
0.64 |
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-7793896949 |
0.64 |
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-1884014689 |
0.64 |
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-8279266745 |
0.64 |
[C@@]12(CO)C(=O)C[C@]3(C)C([C@H](O)C[C@@]3(C)C1CC=C1C(C)(C)[C@@H](CCC21)O)C(O)(C)C(=O)C=CC(C)(C)OC(=O)C
|
|
| MCULE-8917764627 |
0.64 |
CC1C(=O)OC(C(O)(C2C3(C)CCC4C5(C)CC(O)C(O)CC5C(=O)C=C4C3(O)CC2)C)CC1C(O)C
|
|
| MCULE-7138852957 |
0.64 |
[C@@]12([H])[C@@]([H])(CC3[C@@](C)(C([H])(C)CCC=3)C1([H])O)OC(=O)C2=C
|
|
| MCULE-5675720715 |
0.64 |
[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-9098558954 |
0.64 |
[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-4804864002 |
0.64 |
[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-8025116603 |
0.64 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1OC(C)=O
|
|
| MCULE-9509535864 |
0.64 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-7666040130 |
0.64 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCCCCCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-1836906318 |
0.64 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCC)=O)C1CC=C2C(C)=O
|
|
| MCULE-6914138383 |
0.64 |
[C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])C[C@@H](CC[C@]34C)OC(CCC(C)C)=O)C1CC=C2C(C)=O
|
|
| MolPort-042-646-609 |
0.64 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C(\C)Cl
|
|
| MolPort-009-649-142 |
0.64 |
CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C(/C)Cl
|
|
| MolPort-001-812-569 |
0.64 |
COC(=O)C1=C(C2C=CC1C1C=CC21)C(=O)OC
|
|
| MolPort-046-597-601 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C(\C)=C(/C)Cl
|
|
| MolPort-007-549-283 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(\C)=C(\C)Cl
|
|
| MolPort-028-610-046 |
0.64 |
C\C=C\C=C\C=C\C(=O)O[C@@H]1C=C(CO)C(O)(C(O)=O)[C@@]2(C)CCCC(C)(C)[C@H]12
|
|
| MolPort-002-502-008 |
0.64 |
COC(=O)C1=CCCCC1
|
|
| MolPort-035-705-908 |
0.64 |
CC(=O)OC\C=C(/C)CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O
|
|
| MolPort-039-338-374 |
0.64 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC\C(C)=C\C(O)=O)C(=C)CC[C@H]2C1(C)C
|
|
| MolPort-039-338-215 |
0.64 |
C[C@@H]1C[C@H](O)[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CCC1=CC(=O)OC1O
|
|
| MolPort-028-955-214 |
0.64 |
COC1CC(CC(C1)OC(=O)C1=CCCC1)OC
|
|
| MolPort-046-793-021 |
0.64 |
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-001-741-109 |
0.64 |
CC1=CCC2C(C)(C)CCC[C@]2(C)[C@@]11CC[C@](C)(CC(O)=O)O1
|
|
| MolPort-046-195-363 |
0.64 |
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 |
0.64 |
CC(O)C(C)C1OC1CC1COC(C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)C(O)C1O
|
|
| 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-003-666-882 |
0.64 |
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-006-822-624 |
0.64 |
C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C
|
|
| MolPort-046-790-374 |
0.64 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[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-002-514-801 |
0.64 |
CC(=O)C1=CCC2C3CC[C@H]4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC(O)=O
|
|
| MolPort-019-992-810 |
0.64 |
C=C1CCC2C1C1OC(=O)C(=C)C1CCC2=C
|
|
| MolPort-005-944-430 |
0.64 |
COC(=O)C1(O)C(CO)=C[C@@H](OC(=O)\C=C\C=C\C=C\C)C2C(C)(C)CCC[C@]12C
|
|
| MolPort-002-517-064 |
0.64 |
[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-039-339-156 |
0.64 |
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-000-824-500 |
0.64 |
CCCCCCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-009-649-073 |
0.64 |
CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)\C=C(/C)Cl
|
|
| MolPort-005-944-538 |
0.64 |
CCCCCC(=O)OC1C=C2COC(=O)C2(O)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-002-893-781 |
0.64 |
CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(CC[C@@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C
|
|
| MolPort-046-590-058 |
0.64 |
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-002-514-937 |
0.64 |
CCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-002-529-465 |
0.64 |
CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-002-530-517 |
0.64 |
CCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
|
|
| MolPort-000-762-106 |
0.64 |
[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-042-646-607 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)\C=C(/C)Cl
|
|
| MolPort-000-757-886 |
0.64 |
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-000-771-103 |
0.64 |
[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-002-529-356 |
0.64 |
[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-002-525-983 |
0.64 |
CC(C)CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-046-596-558 |
0.64 |
CCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
|
|
| MolPort-002-527-443 |
0.64 |
CC1CCC=C2C[C@@H]3OC(=O)C(=C)[C@@H]3C(O)[C@]12C
|
|
| MolPort-044-561-115 |
0.64 |
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-002-509-854 |
0.64 |
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-002-528-365 |
0.64 |
CC1CCC=C2C[C@H]3OC(=O)C(=C)[C@H]3C(O)[C@]12C
|
|
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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
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CC(C)CCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
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C=C1CC2(CCCCC2)OC1=O
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C1=CC2C3C4CCCCC=4C3C1C1C(=O)OC(=O)C12
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[C@]12(C)CCC3C(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]2(OC(C)=O)C(C)OC(C)=O
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O=C1C2C3C4C=CC4C(C=C3)C2C(=O)O1
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C1=CC2C3C=C(C)C3C1C1C(=O)OC(=O)C12
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C12C(C(=O)OC1=O)C1C=CC2C23CCCCC12C=C3
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C1=CC2C3C(C)=C(C)C3C1C1C(=O)OC(=O)C12
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C1(C=CC(CC/C=C(/C)\C)(C)CC=C(CO)C(=O)C=CC1(O)C)OC(=O)/C=C(\C)/C
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C12=CC(CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(CCCCC)=O)[C@]3(CC1)C)C=C2C)OC(C)=O
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O1[C@@H]2C[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]3(C(C=C[C@@H]([C@]132)O)=O)C
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C1CC(C)(C)C2C(C)(C1O)C1(C(COC1O)=CC2OC(CCCCC)=O)O
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O(C(=O)C)[C@@H]1C[C@@H](C)[C@@](O)([C@@]2(C1C(C)(C)CCC2)C)CCC1COC(=O)C=1
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C12(C)C(=O)C(=C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
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C12C3C4C5C1C(C1C5C(C4CC3=CC(OCC)=O)CC1=CC(=O)OCC)C1OC21
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C12C(CC(=C(CCCOC(C)=O)C(C)C1O)C)OC(=O)C2=C
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C1(C(O)=O)C2(OCC)CCC(C=C2)(OCC)C1C(O)=O
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CC(=O)OCCCC1[C@@H](C)[C@@H](O)[C@@]2(C(C(=O)O[C@]2([H])CC=1C)=C)[H]
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C1C=CC(OC1C(C(/C=C/C(OC(=O)C)C(OC(=O)C)C)OC)O)=O
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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
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C1=CC23CC(=O)OC2C=CC3C=C1
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[C@@]12([H])CC[C@H](O)[C@@]1(C)C[C@@H]1C(=C)C(=O)O[C@H]1C[C@H]2C
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COC1CCC(OC(C=CC2CC2)=O)CC1
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C1(=O)O[C@]2([C@]([H])(CC3[C@](C)(CCC[C@@]43CO4)C2)C1=C)[H]
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COC(C=C1C(C)C(C)OC1)=O
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[C@@]12(C)C(=O)CC[C@@]1([H])[C@H](C)C[C@H]1[C@H](C2)C(=C)C(O1)=O
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[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
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C12(C)CCC(C=C1C=CC1([H])C3(C(C)(C4(CC3)CCC(=O)O4)CCC12[H])[H])=O
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[C@]12(C)CCC(C=C1C=C[C@@]1([H])[C@]3([C@@](C)([C@@]4(CC3)CCC(=O)O4)CC[C@@]12[H])[H])=O
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[C@@]12(CCC(=O)O1)CC[C@@]1([H])[C@]3([H])C=CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]21C
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O=C1C(C(=CCCCCC1)C(OC)=O)C(OC)=O
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[C@@H]1(/C=C(\C)/C(O)=O)CC[C@@H](C)[C@@]2([H])[C@@H](CC(=C21)C)OC(C)=O
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C12C=C(C)C(O)CC3C(C)(C)C3C=C(C)C(=O)C1(OC(C)=O)CC(C)C2O
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O=C1[C@H]2[C@@H]([C@H](CC[C@@]32OC3)C(C)C)C=C(C(=O)O)CO1
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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
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C1C=C(C)CC2(O)OC(=O)C(=C2CC=C(C)C1)C
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| MCULE-2441734480 |
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O=C1CCC2(C)C3CCC4(C)C(C(=C)CC4C3C=C(OC)C2=C1)(OC(C)=O)C(C)=O
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C1CC2(C)C3C(OC)OC(=O)C=3C(O)CC2C(C)(C)C1
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| MCULE-5446385915 |
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C(C)(=O)OC1CC2C(C=C3C4CC=C(C4(C)CC(C3C2(C)CC1)=O)C(C)=O)=O
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0.63 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@](O)(C5COC(=O)C=5)CC[C@]4(O)C3CCC2C[C@H]1O
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CCCC(=O)OC/C=C(/CC/C=C(/C)\C)\C
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C(C)(CC/C=C(\C)/C)=CCOC(=O)CCC
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C1(O)CC2C(C)(CCC3(O)C(O)C(OC)OC3OC)C(C)CCC32COC(=O)C3=C1
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C12(C(OCC1=C[C@@H](OC(=O)/C=C/C=C/C)[C@]1(C(CCC[C@]21C)(C)C)[H])=O)O
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C1CC(C)(C)C2[C@@](C1)(C)[C@]1(C(=O)OCC1=C[C@H]2OC(/C=C/C=C/C(O)=O)=O)O
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C1CC(C)(C)C2C(C1)(C1(C(COC1=O)=CC2OC(/C=C/C=C/C=O)=O)O)C
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|
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0.63 |
C1CC(C)(C)C2C(C1)(C1(C(COC1=O)=CC2OC(/C=C/C=C/C(OC)=O)=O)O)C
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0.63 |
C1CC2C(O)C3(O)OC(=O)C(C)=C3C[C@]2(C)[C@H](C1)C
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|
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C1CC2(C)OC2CC2C(CC3(C)OC13)OC(=O)C=2C
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C1=CC2C=CC3C(C=C2)C1C(=O)O3
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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
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CC(C[C@@H](CC(OCC1CCCC=1)=O)CN)C
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O1C(=O)C2C(CC(=CC2)CC/C=C(\C)/C)C1=O
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C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)C=CC
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C12OC(=O)C(C)(C3C(C(O)=O)C45CC(=C)C(O)(CCC4C3=C1)C5)C2O
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[C@]12(C)CCC3C(CC(C4=CC(=O)CC[C@@]43C)=C)C1CC(=C)[C@@]2(C(C)=O)OC(C)=O
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[C@@]12(CCC(C=C1CCC1C2CC[C@]2(C1CCC2C(C)=O)C)=O)COC(CCC(O)=O)=O
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CCCCCC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)C(C)=O
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COC1C=C2C3C(C)C(C)CCC3(C)CCC2(C)C2(C)CCC3C(C)(CCC(OC(C)=O)C3(C)C(O)=O)C12
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CC(C)=CCCC1(C)C\C=C(CO)/C(=O)/C=C/C(C)(O)C(OC(=O)C=C(C)C)\C=C\1
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CC(OC(C)=O)[C@]1(CC[C@H]2[C@@H]3CCC4=C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)OC(C)=O
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CC(OC(C)=O)[C@]1(CCC2C3CCC4=CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)OC(C)=O
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C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)C3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
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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
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C[C@@H](C1CC[C@H]2C3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)C3CC[C@]12C)C1CC(C)=C(CO)C(=O)O1
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C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
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CCCCCC(=O)OC1C=C2COC(O)C2(O)C2(C)C(O)CCC(C)(C)C12
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C[C@@H]1C[C@@H](OC(C)=O)C2C(C)(C)CCC[C@]2(C)[C@@]1(O)CCC1=CC(=O)OC1
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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
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CCOC12CCC(OCC)(C=C1)C(C2C(O)=O)C(O)=O
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CCOC(=O)C1=C(N)CCCCCC1
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CCOC(=O)C1=C(N)/CCCCCC\1
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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
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CC1C(O)C2C(CC(C)=C1CCCOC(C)=O)OC(=O)C2=C
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[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-002-527-998 |
0.63 |
[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-000-782-854 |
0.63 |
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-000-757-740 |
0.63 |
CCCCCCCCCCCC[NH3+].C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34C([O-])=O)C1(O)CC[C@H]2C1=CC(=O)OC1
|
|
| MolPort-002-527-463 |
0.63 |
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-001-741-556 |
0.63 |
COC(\C=C\C(OC(C)=O)C(C)OC(C)=O)C(O)C1CC=CC(=O)O1
|
|
| MolPort-046-761-028 |
0.63 |
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-046-765-567 |
0.63 |
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1C21CCC(=O)O1)[C@H](CCl)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-002-507-180 |
0.63 |
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-046-689-078 |
0.63 |
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@@H](CCl)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-002-513-483 |
0.63 |
C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1=C
|
|
| MolPort-002-524-375 |
0.63 |
C[C@]12CCC3[C@@H](C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-046-765-407 |
0.63 |
C[C@]12CC[C@@H]3[C@H]([C@H]1[C@@H]1C[C@@H]1C21CCC(=O)O1)[C@@H](CCl)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-002-524-702 |
0.63 |
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-001-742-274 |
0.63 |
C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)C[C@@H](OC(C)=O)[C@H]12
|
|
| MolPort-035-706-167 |
0.63 |
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)CC[C@@H]12
|
|
| MolPort-042-675-476 |
0.63 |
CC1CC2(OC(C)=O)C(\C=C(C)\C(O)CC3C(\C=C(C)\C2=O)C3(C)C)C1O
|
|
| MolPort-001-633-124 |
0.63 |
CC12CCC3C(C=CC4=CC(=O)CCC34C)C1CCC21CCC(=O)O1
|
|
| MolPort-044-561-194 |
0.63 |
CC(C)[C@H]1CC[C@@]2(CO2)[C@@H]2[C@@H]1C=C(COC2=O)C(O)=O
|
|
| MolPort-044-222-386 |
0.63 |
COC1CCC(CC1)OC(=O)C=CC1CC1
|
|
| MolPort-001-742-423 |
0.63 |
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1CCC2=O
|
|
| MolPort-046-793-306 |
0.63 |
CCCCCCCCCC(=O)OCCC(C)CC\C=C(/C)CCC=C(C)C
|
|
| MolPort-008-346-699 |
0.63 |
C[C@]12CCC3C(CCC4(O)CC(O)CC[C@]34O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-009-018-224 |
0.63 |
CCCCCC(O)\C=C\[C@H]1C=CC(=O)C1CCCCCCC(=O)OCC
|
|
| MolPort-019-937-028 |
0.63 |
CC(=O)OC1CC2C(C3OC(=O)C(=C)C3CCC2=C)C1=C
|
|
| MolPort-027-853-559 |
0.63 |
CCC1OC(=O)C(C)CC(C)C(=O)\C(C)=C\C(C)C(=O)\C=C\C1(C)O
|
|
| MolPort-028-318-947 |
0.63 |
CC(OC(=O)C1=CCCC1)C(C)(C)C#N
|
|
| MolPort-044-232-221 |
0.63 |
Cl.CC(C)C[C@H](CN)CC(=O)OCC1=CCCC1
|
|
| MolPort-046-418-888 |
0.63 |
CC(C)OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-046-765-478 |
0.63 |
COC(=O)[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33CCC(=O)O3)C12
|
|
| MolPort-002-911-096 |
0.63 |
CC12CCC3C(C1CC[C@@]21CCC(=O)O1)[C@@H](CC1=CC(=O)CCC31C)C(=O)OC1CCCC1
|
|
| MolPort-001-742-436 |
0.62 |
C[C@@]1(O)CC[C@H]2[C@H]1CC1[C@H](CC2=C)OC(=O)C1=C
|
|
| MolPort-001-741-555 |
0.62 |
CC(OC(C)=O)C(OC(C)=O)\C=C\C(O)C(O)C1CC=CC(=O)O1
|
|
| MolPort-019-937-545 |
0.62 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-044-649-591 |
0.62 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-046-765-468 |
0.62 |
C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC(=O)[C@@]3(C)OC(C)=O)[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-023-276-386 |
0.62 |
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-046-690-855 |
0.62 |
[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-044-649-707 |
0.62 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-039-338-480 |
0.62 |
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-044-811-197 |
0.62 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@]4(C)[C@@H](CC[C@@]3(C)[C@]1(C)CC2)[C@](C)(COC(C)=O)C=C4C=O
|
|
| MolPort-035-705-924 |
0.62 |
COC1OC(=O)C(CC[C@H]2C(=C)CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1
|
|
| MolPort-044-727-169 |
0.62 |
CCCC[C@]1(O)OC(=O)C2=C1CCC=C2
|
|
| MolPort-005-945-020 |
0.62 |
CC(C)=CC(=O)OC1C2OC(=O)C(=C)C2C(O)C2C(C)=CC(=O)C2=C1C
|
|
| MolPort-029-937-849 |
0.62 |
CN(C)C(=O)CCOC(=O)C1=CCCCCC1
|
|
| MolPort-023-331-412 |
0.62 |
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-002-509-853 |
0.62 |
CC(=O)OCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-509-430 |
0.62 |
CCOC(=O)CC[C@H](C)[C@@H]1CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
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0.62 |
CCOC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-697-316 |
0.62 |
CC1OC(=O)C2(C1=O)C(=C)C(C)(CC1=C(C)C3(CCC21C)C=CC(=O)OC3(C)C)C(O)=O
|
|
| MolPort-039-338-307 |
0.62 |
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-039-338-335 |
0.62 |
C[C@@]12CC[C@H]3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)CC[C@H]2[C@H]1COC(=O)C1
|
|
| MolPort-039-338-537 |
0.62 |
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-016-638-324 |
0.62 |
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-001-742-454 |
0.62 |
CC1=CC[C@H](O)[C@@]2(C)C[C@@H](O)[C@@H]3[C@@H](OC(=O)C3=C)[C@H]12
|
|
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0.62 |
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-046-423-222 |
0.62 |
CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-029-923-666 |
0.62 |
COC(=O)COC(=O)C1=CCCCCC1
|
|
| MolPort-003-930-509 |
0.62 |
CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-701-786 |
0.62 |
CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C
|
|
| MolPort-002-510-172 |
0.62 |
CC(C)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
|
|
| MolPort-039-239-969 |
0.62 |
CCOC(=O)C1=C(N)CCCCC1
|
|
| MolPort-002-509-815 |
0.62 |
CC(=O)OCC(=O)C1=CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-046-765-473 |
0.62 |
[2H]C([2H])([2H])C(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-153-803 |
0.62 |
C\C=C(\C)C(=O)O[C@H]1C(C)=CC23[C@H](C)C[C@@H]4[C@H](C(C=C(CO)[C@@H](O)[C@]12O)C3=O)C4(C)C
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|
| MolPort-000-692-409 |
0.62 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
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|
| MolPort-035-946-557 |
0.62 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C4(C)CCC(=O)O4)[C@@H]3CC=C2C1
|
|
| MolPort-002-508-597 |
0.62 |
C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)OC(C)=O)OC1=O
|
|
| MolPort-003-941-761 |
0.62 |
C\C=C(\C)C(=O)O[C@H]1C(C)=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@@H](O)[C@]12O)C3=O)C4(C)C
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|
| MolPort-002-529-441 |
0.62 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C4(C)CCC(=O)O4)[C@@H]3CC=C2C1
|
|
| MolPort-003-931-378 |
0.62 |
CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1
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|
| MolPort-001-569-829 |
0.62 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
|
|
| MCULE-5531778494 |
0.62 |
[C@@]12(CCC(=O)O1)CCC1C3[C@H](C(=O)OC4CCCC4)CC4=CC(CCC4(C)C3CCC21C)=O
|
|
| MCULE-2418544882 |
0.62 |
Cl.CC(C[C@@H](CC(OCC1CCCC=1)=O)CN)C
|
|
| MCULE-1777552821 |
0.62 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4C[C@@H](C(=O)OC(C)C)[C@@]3([H])[C@]1([H])CC[C@]12CCC(=O)O1)C
|
|
| MCULE-2126738487 |
0.62 |
C1=CC(O)(C(OC(C(CC(C)C(=O)C(=CC(C)C1=O)C)C)=O)CC)C
|
|
| MCULE-7186730051 |
0.62 |
CC(C(C#N)(C)C)OC(C1CCCC=1)=O
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|
| MCULE-3027295931 |
0.62 |
C12C3OC(=O)C(=C)C3CCC(=C)C1CC(OC(=O)C)C2=C
|
|
| MCULE-1566759755 |
0.62 |
C12(CCC1)C1=C(C2)C(=O)OC1C(F)(F)F
|
|
| MCULE-9648186954 |
0.62 |
C1C=CC(OC1C(C(/C=C/C(OC(=O)C)C(OC(=O)C)C)O)O)=O
|
|
| MCULE-2561071555 |
0.62 |
C12(C3C(C(F)(F)F)OC(=O)C=3C1)CCCCC2
|
|
| MCULE-2553518631 |
0.62 |
C(C)(=O)OC1CCC2(C)C3(C1)CCC1(C4CCC(C(C)CCC(C)C(C)C)C4(C)CC=C21)O3
|
|
| MCULE-2935787590 |
0.62 |
O=C1C=CC2(C)C(C1)(CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H]
|
|
| MCULE-1470831787 |
0.62 |
C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1OC(=O)C
|
|
| MCULE-9964052623 |
0.62 |
C1(=O)O[C@@H]2C(C[C@@]3([C@]([H])(CC[C@@]3(C)O)C(=C)C2)[H])C1=C
|
|
| MCULE-9003778755 |
0.62 |
O1C(=O)C(=C)C2C1C(C(=C1C(C(C)=CC1=O)C2O)C)OC(=O)/C=C(\C)/C
|
|
| MCULE-6266062726 |
0.62 |
C1=CC2CC1C13OC12C1CC3C=C1C(OC)=O
|
|
| MCULE-6948376818 |
0.62 |
CN(C(CCOC(C1CCCCCC=1)=O)=O)C
|
|
| MCULE-3268817179 |
0.62 |
C1CC=C(C(=O)OCCCC(=CC(OC)=O)C(OC)=O)C=C1
|
|
| MCULE-6390957697 |
0.62 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC=C2C(=O)COC(C)=O
|
|
| MCULE-8824249409 |
0.62 |
C1=CC2C3C=C(C4CC4)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-5501928946 |
0.62 |
C1(=O)CC2(C/C=C(\C)/CC(=O)/C=C(\C)/C)CC(=O)OC2CC1
|
|
| MCULE-7018717455 |
0.62 |
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-1537420527 |
0.62 |
[C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O
|
|
| MCULE-8464956672 |
0.62 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OCC)=O
|
|
| MCULE-1931070505 |
0.62 |
C1(CC2=C(C)C3(C=CC(=O)OC3(C)C)CCC2(C)C2(C1=C)C(=O)OC(C)C2=O)(C(=O)O)C
|
|
| MCULE-4446927847 |
0.62 |
[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-8183332147 |
0.62 |
C12=CC(CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)OC(C)C
|
|
| MCULE-2150444872 |
0.62 |
C12=CC[C@]3(C(CC=C3C(=O)COC(C)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
|
|
| MCULE-8354691781 |
0.62 |
[C@H]1(O)C[C@@]2([H])[C@]3(C)C(=O)C[C@]4(C)[C@@]([H])([C@](O)(C)C(=O)C=CC(C)(C)OC(C)=O)[C@H](O)C[C@@]4(C)[C@]3([H])CC=C2C(C)(C)C1=O
|
|
| MCULE-8726454334 |
0.62 |
[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-6319746493 |
0.62 |
COC(COC(C1CCCCCC=1)=O)=O
|
|
| MCULE-7414589561 |
0.62 |
[C@H]1(O)C[C@]2([H])C(C(C)(C)C1=O)=CC[C@]1([H])[C@]2(C(=O)C[C@@]2([C@@]([H])([C@](O)(C)C(=O)/C=C/C(OC(=O)C)(C)C)[C@@H](C[C@@]12C)O)C)C
|
|
| MCULE-5192807992 |
0.62 |
[C@@H]1(C[C@@]2([H])[C@]3(C)C(=O)C[C@]4(C)[C@@]([H])([C@@](O)(C(=O)C=CC(C)(C)OC(=O)C)C)[C@H](O)C[C@@]4(C)[C@]3([H])CC=C2C(C)(C)C1=O)O
|
|
| MCULE-7433867323 |
0.62 |
C1(=O)CC2(CC(=O)OC2CC1)C/C=C(\C)/CC/C=C(\C)/C
|
|
| MCULE-6977514439 |
0.62 |
O=C(OCC)C1CC(=O)/C(=C(\O)/C2CC2)/C(=O)C1
|
|
| MCULE-7919639616 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C1(C)CCC(=O)O1
|
|
| MCULE-8324389304 |
0.62 |
C1(CC2C=CC(O2)C1)=CC(O)=O
|
|
| MCULE-3623108676 |
0.62 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1C[C@@H]1OC(=O)[C@@H](C)[C@]21[H]
|
|
| MCULE-6295390344 |
0.62 |
CC=C(C(=O)O[C@@H]1[C@]2([C@@H](C(=C[C@]3([C@@]4(C(C)(C)[C@@]4(C[C@@H](C)[C@]2(C3=O)C=C1C)[H])[H])[H])CO)O)O)C
|
|
| MCULE-3207353819 |
0.62 |
C/C=C(\C(=O)O[C@@H]1[C@]2([C@@H](C(=CC3[C@]4(C(C)(C)C4C[C@@H](C)C2(C3=O)C=C1C)[H])CO)O)O)/C
|
|
| MCULE-1623071973 |
0.62 |
C(O[C@@H]1[C@@]2(O)[C@H](O)C(CO)=C[C@]3([H])C(=O)[C@]2(C=C1C)[C@H](C)C[C@@]1([H])C(C)(C)[C@]13[H])(=O)/C(/C)=C\C
|
|
| MCULE-4675404269 |
0.62 |
CC=C(C(OCC=C(CC/C=C(\C)/C)C)=O)C
|
|
| MCULE-2936812310 |
0.62 |
O=C1C(=CCC2C3(C)C(C(CCC3)(C)C)CCC2=C)CC(OCC)O1
|
|
| MCULE-4155630515 |
0.62 |
[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-2152785861 |
0.62 |
C1C(=O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)[C@H]5CC(C)=C(CO)C(=O)O5)CC[C@@]4([H])[C@]3([H])C[C@H]3O[C@@]23[C@@H](O)C1
|
|
| MCULE-3700642394 |
0.62 |
C12C(=O)C=C(CO)[C@]1([H])[C@H]1OC(=O)[C@H](C)[C@@H]1CCC=2C
|
|
| MCULE-9206020628 |
0.62 |
C1CC2=CC(=O)[C@@]3(O[C@@H]3[C@@]2([C@H]([C@@H]1OC(=O)C)C)C)C(=C)C
|
|
| MCULE-9101975825 |
0.62 |
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-5497851720 |
0.62 |
C(=O)(OC1CC(C)CCC1C(C)C)C1CC=C(C(=O)OC2CC(C)CCC2C(C)C)CC=1
|
|
| MCULE-6520606805 |
0.62 |
CCC1OCC(=C(C(O)=O)C)C1
|
|
| MCULE-9320966507 |
0.62 |
C/C(=C\CC/C(=C/CC/C(=C/CCC(=O)OC/C=C(/CC/C=C(\C)/C)\C)/C)/C)/C
|
|
| MCULE-3821543695 |
0.62 |
CC(C1OCC(=CC(O)=O)C1)C
|
|
| MCULE-5859688598 |
0.62 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O
|
|
| MCULE-3246144635 |
0.62 |
O=C(CCC=C(CCC=C(CC/C=C(\C)/C)C)C)OCC=C(CC/C=C(\C)/C)C
|
|
| MCULE-6599042408 |
0.62 |
[C@@]12(C)[C@@H](O)[C@H](CC1[C@@H](C)C[C@@H]1[C@H](C2)C(=C)C(O1)=O)O
|
|
| MCULE-7446779960 |
0.62 |
CC(C1OCC(=C(C(O)=O)C)C1)C
|
|
| MCULE-1696164548 |
0.62 |
CCC1OCC(=CC(O)=O)C1
|
|
| MCULE-1140499218 |
0.62 |
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-3522700950 |
0.62 |
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-8914845141 |
0.62 |
C(C)(=O)OC1CCC2(CO)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1
|
|
| MCULE-4678762535 |
0.62 |
C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1
|
|
| MCULE-2748824939 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1
|
|
| MCULE-8982382729 |
0.62 |
C12[C@H](C)C[C@]3([C@@]([H])(CC[C@]4([H])C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])CCC=2C(C)CCC(OC)=O)[H]
|
|
| MCULE-7424984034 |
0.62 |
C1C[C@]2([H])[C@@](C)(CC/C(=C/C(OC)=O)/C)[C@H](C)CC[C@@]2(C)C(C(=O)O)=C1
|
|
| MCULE-7378439721 |
0.62 |
CC(C1CC1)=CC(OCCCCCO)=O
|
|
| MCULE-5975510957 |
0.62 |
C1(C[C@H](C)O)=C[C@H](O)[C@H](OC1=O)C
|
|
| MCULE-2030478341 |
0.62 |
[C@]12([H])C(C)=CC(=O)C1=C(C)CC[C@H]1[C@@H](C(=O)O[C@H]21)C
|
|
| MCULE-5162812783 |
0.62 |
C12C(C)=CC(=O)C1=C(C)CCC1C(C)C(=O)OC12
|
|
| MCULE-4800012179 |
0.62 |
O=C1CCC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2=C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-8988750193 |
0.62 |
C1CC2(C)C3(O)C(=O)OCC3=CC(OC(C(=O)O)=O)C2C(C)(C)C1
|
|
| MCULE-4426803651 |
0.62 |
C12(C)C(O)CC(C(=C)C1CC1C(OC(C1=C)=O)C2)O
|
|
| MCULE-3429789050 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(C)=O)[H]
|
|
| MCULE-4077568356 |
0.62 |
[C@]12(O)C(CCC[C@]1(C)C[C@@H]1[C@H](C2)C(=C)C(O1)=O)=C
|
|
| MCULE-9599193894 |
0.62 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)COC(C)=O)CC3)CC2
|
|
| MCULE-4683482437 |
0.62 |
C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)C)(C(=O)C)CCC4C3CCC2=C1
|
|
| MCULE-2895344878 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C=C2C1)=O
|
|
| MCULE-6664839966 |
0.62 |
C12(C)C=C(C)C(OC1C1C2(C)C=C(C(=O)O1)C)=O
|
|
| MCULE-1955355747 |
0.62 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-1992456011 |
0.62 |
[C@]12(C)CCC(C=C1[C@H](C[C@@]1([H])C3[C@@](C)([C@](CC3)(C(C)=O)OC(C)=O)CCC12)C)=O
|
|
| MCULE-1849472820 |
0.62 |
C12(C)CCC(C=C1C(CC1C3C(C)(C(CC3)(C(C)=O)OC(C)=O)CCC12)C)=O
|
|
| MCULE-9107883806 |
0.62 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(=O)COC(C)=O)[H]
|
|
| MCULE-8036810785 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(C)=O)[H]
|
|
| MCULE-8794665540 |
0.62 |
[C@]12(C)CCC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@](CC3)(C(C)=O)OC(C)=O)CC[C@@]12[H])[H])C)=O
|
|
| MCULE-4073913947 |
0.62 |
C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(OC(C)=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-3268211483 |
0.62 |
CC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)[C@@H](C)C3)[H])([H])CC1)OC(=O)C
|
|
| MCULE-2178544437 |
0.62 |
[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-1292912968 |
0.62 |
[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-3397065732 |
0.62 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(C)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
|
|
| MCULE-5353396675 |
0.62 |
C1CC([C@]2(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@@H](O)C3=CC(=O)OC3)[C@@]2([H])C1OC(/C(/C)=C/C)=O)(CCl)O
|
|
| MCULE-6092837871 |
0.62 |
[C@@]12([H])OC(=O)[C@@H]([C@@]1([H])CC=C(CCO)[C@@H](C)C2)C
|
|
| MCULE-3773780560 |
0.62 |
C1CC2(C)CC3OC(=O)C(=C)C3CC2(O)C(=C)C1
|
|
| MolPort-001-742-636 |
0.62 |
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-042-675-412 |
0.62 |
C[C@@H]1[C@@H]2CCC(C)=C3[C@@H]([C@H]2OC1=O)C(CO)=CC3=O
|
|
| MolPort-023-274-323 |
0.62 |
C[C@H]1[C@@H](CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(C)=C)OC(C)=O
|
|
| MolPort-006-668-381 |
0.62 |
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-033-485-446 |
0.62 |
OC(=O)\C=C\C1CCCO1
|
|
| MolPort-045-998-770 |
0.62 |
CC(C)(C)OC(=O)OC1CCCC=C1C(=O)OC(C)(C)C
|
|
| MolPort-006-119-068 |
0.62 |
C\C=C(/C)C(=O)OC\C=C(/C)CCC=C(C)C
|
|
| MolPort-046-509-030 |
0.62 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)CCC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-035-705-923 |
0.62 |
CCOC1C\C(=C/C[C@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@]23C)C(=O)O1
|
|
| MolPort-046-153-149 |
0.62 |
CC1(CCC(=O)O1)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-046-689-265 |
0.62 |
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
|
|
| MolPort-046-701-688 |
0.62 |
CC(=O)OC1(CCC2C3CC(O)C4=CC(=O)CCC4C3CCC12C)C#C
|
|
| MolPort-044-830-350 |
0.62 |
CC(=O)O[C@]1(CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
|
|
| MolPort-044-830-351 |
0.62 |
CC(=O)O[C@]1(CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
|
|
| MolPort-001-742-424 |
0.62 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)[C@@H](O)CC12
|
|
| MolPort-006-109-235 |
0.62 |
CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(=O)OC\C=C(/C)CCC=C(C)C
|
|
| MolPort-039-338-527 |
0.62 |
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-044-723-779 |
0.62 |
CC(C)=CCCC(C)=CCCC(C)=CCCC(=O)OCC=C(C)CCC=C(C)C
|
|
| MolPort-042-675-309 |
0.62 |
CC1=C(C)C(=O)OC(C1)C(C)(O)C1(O)CC(O)C2(O)C3CC=C4CC=CC(=O)C4(C)C3CCC12C
|
|
| MolPort-001-740-937 |
0.62 |
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-039-338-977 |
0.62 |
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-046-690-853 |
0.62 |
[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-038-975-151 |
0.62 |
CC(=CC(=O)OCCCCCO)C1CC1
|
|
| MolPort-005-945-123 |
0.62 |
COC(=O)\C=C(/C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)[C@H]1CCC=C2C(O)=O
|
|
| MolPort-042-675-284 |
0.62 |
CC1(C)CCCC2(C)C1C(OC(=O)C(O)=O)C=C1COC(=O)C21O
|
|
| MolPort-035-705-806 |
0.62 |
COC(=O)\C=C(/C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC=C2C(O)=O
|
|
| MolPort-044-179-518 |
0.62 |
CC1C2CCC(C)=C3C([C@H]2OC1=O)C(C)=CC3=O
|
|
| MolPort-002-507-193 |
0.62 |
C[C@H]1[C@@H]2CCC(C)=C3[C@@H]([C@H]2OC1=O)C(C)=CC3=O
|
|
| MolPort-001-739-512 |
0.62 |
C[C@H](O)CC1=C[C@H](O)[C@@H](C)OC1=O
|
|
| MolPort-044-811-198 |
0.62 |
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-001-932-114 |
0.62 |
CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-002-746-632 |
0.62 |
CC12CC3OC(=O)C(=C)C3CC1C(=C)C(O)CC2O
|
|
| MolPort-046-790-379 |
0.62 |
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-000-737-773 |
0.62 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-023-274-350 |
0.62 |
C[C@]12CCCC(=C)[C@]1(O)C[C@H]1[C@@H](C2)OC(=O)C1=C
|
|
| MolPort-046-765-467 |
0.62 |
[2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)C([2H])([2H])[2H])(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-029-943-133 |
0.62 |
CC12CCCC(=C)C1(O)CC1C(C2)OC(=O)C1=C
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|
| MolPort-002-834-775 |
0.62 |
CC1=CC2(C)C(OC1=O)C1OC(=O)C(C)=CC21C
|
|
| MolPort-046-700-328 |
0.62 |
COC(=O)C1=CCCC(O)C1
|
|
| MolPort-002-507-374 |
0.62 |
C[C@H]1C[C@H]2C3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-003-666-223 |
0.62 |
C[C@H]1CC2C3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-000-830-618 |
0.62 |
CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
|
|
| MolPort-002-507-115 |
0.62 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-001-785-923 |
0.62 |
CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-689-349 |
0.62 |
CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-035-868-714 |
0.62 |
CC(O)=O.C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-039-338-144 |
0.62 |
C[C@@H]1[C@H]2CC=C(CCO)[C@@H](C)C[C@@H]2OC1=O
|
|
| MolPort-046-761-029 |
0.62 |
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-002-510-316 |
0.62 |
CC(=O)O[C@@H]1C[C@@]2(C)C(CCC2C(C)=O)C2CCC3=CC(=O)CC[C@]3(C)C12
|
|
| MolPort-001-794-638 |
0.62 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-005-945-746 |
0.62 |
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-044-754-164 |
0.62 |
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-044-755-195 |
0.62 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C=C2C1
|
|
| MolPort-005-945-241 |
0.62 |
COC(=O)C(C)C1CCC2(C)C(C1O)C(C)(O)C=CC2=O
|
|
| MolPort-002-527-421 |
0.62 |
CC(=O)O[C@@]1(CCC2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-044-649-785 |
0.62 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-001-740-061 |
0.62 |
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-520-707 |
0.62 |
CC(=O)O[C@@]1(CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
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|
| MolPort-046-596-236 |
0.62 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-046-697-280 |
0.61 |
CC(C)C1CCC2(O)COC(=O)C2C1\C=C(/CO)C(=O)OCC1(O)CCC(C(C)C)C2C=C(COC(=O)C12)C(O)=O
|
|
| MolPort-044-183-181 |
0.61 |
CCCCC[C@@H](O)\C=C\[C@@H]1C[C@@H](O)[C@H]2OC(=O)C[C@@H]12
|
|
| MolPort-002-512-707 |
0.61 |
C[C@]12CCC3C(C=CC4=CC(O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-007-549-368 |
0.61 |
CC12CC[C@H]3C(CCC4CC(O)CCC34C)C1(O)CC(O)C2C1=CC(=O)OC1
|
|
| MolPort-002-510-868 |
0.61 |
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-001-827-199 |
0.61 |
CC12CCC3C(CCC4CC(O)CCC34C)C1(O)CC(O)C2C1=CC(=O)OC1
|
|
| MolPort-046-765-474 |
0.61 |
C[C@]12CC[C@]34OC(=O)[C@H](CC5=CC(=O)CC[C@]35C)C4[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-046-762-598 |
0.61 |
CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
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|
| MolPort-002-528-100 |
0.61 |
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-005-944-980 |
0.61 |
CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C(C(CC(O)=O)C3(C)C(=O)CC12C)C(C)(C)C(O)=O
|
|
| MolPort-046-158-328 |
0.61 |
CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-029-923-704 |
0.61 |
CC(OC(=O)C1=CCCCCC1)C(N)=O
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|
| MolPort-006-127-472 |
0.61 |
CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
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|
| MolPort-046-418-665 |
0.61 |
C\C=C(\C)C(=O)O[C@H]1C(C)=C[C@@]23[C@H](C)C[C@@H]4[C@H]([C@H](C=C(COC(C)=O)[C@@H](O)[C@]12O)C3=O)C4(C)C
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|
| MolPort-000-832-956 |
0.61 |
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-005-945-901 |
0.61 |
CC1C2C(O)C(OC(C)=O)C3C(C)(CO)CCCC3(C)C2CC2(O)OC(=O)C=C12
|
|
| MolPort-001-742-430 |
0.61 |
CC(=O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C
|
|
| MolPort-005-945-004 |
0.61 |
CC(O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C
|
|
| MolPort-005-944-832 |
0.61 |
CCC(C)CC(=O)OC1C(C(C)C)C(O)C=C(CO)C1=O
|
|
| MolPort-001-742-459 |
0.61 |
CC1=CC(=O)C2=C(C)CCC3[C@H](OC(=O)C3=C)[C@@]12O
|
|
| MolPort-019-937-286 |
0.61 |
OC1CC2C(C3OC(=O)C(=C)C3CCC2=C)C1=C
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|
| MolPort-044-832-314 |
0.61 |
COC(=O)C1=CCOC11CCC1
|
|
| MolPort-002-145-709 |
0.61 |
COC(=O)C1CC2=CC(=O)CCC2(C)C2=CCC3(C)C(CCC33CCC(=O)O3)C12
|
|
| MolPort-046-765-479 |
0.61 |
C[C@]12CC=C3[C@H]([C@@H]1CC[C@@]21CCC(=O)O1)C(CC1=CC(=O)CC[C@]31C)C(O)=O
|
|
| MolPort-020-393-553 |
0.61 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-001-740-480 |
0.61 |
COC(=O)\C=C(/C)CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O
|
|
| MolPort-046-697-346 |
0.61 |
CCCC(O)CC1CC2OC2\C=C\C(O)C(C)(C)C(=O)O1
|
|
| MolPort-039-052-532 |
0.61 |
COC1C\C(=C/C[C@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@]23C)C(=O)O1
|
|
| MolPort-035-946-559 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@]21CCC(=O)O1
|
|
| MolPort-000-208-022 |
0.61 |
CC1(CCC(=O)O1)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-911-091 |
0.61 |
CCC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CC(=O)C23)C1
|
|
| MolPort-001-963-974 |
0.61 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC21CCC(=O)O1
|
|
| MolPort-027-853-725 |
0.61 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)C(=O)C[C@@H]12
|
|
| MolPort-019-937-239 |
0.61 |
C[C@@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@H]1C(=C)CC[C@H]2O
|
|
| MCULE-5537477153 |
0.61 |
C1CC(C(C)C)C(C2C1(O)COC2=O)/C=C(\CO)/C(=O)OCC1(O)C2C(=O)OCC(C(O)=O)=CC2C(C(C)C)CC1
|
|
| MCULE-6939019083 |
0.61 |
C1(C#N)(C#N)C2C(=CC(CC)C1(C#N)C(O2)=O)CC
|
|
| MCULE-8590167000 |
0.61 |
C1(O)CCC2(C)C3CCC4(C)C(C5COC(=O)C=5)C(O)CC4(O)C3CCC2C1
|
|
| MCULE-7353523388 |
0.61 |
[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-6137852908 |
0.61 |
C(O[C@@H]1[C@@]2(O)[C@H](O)C(COC(C)=O)=C[C@]3([H])C(=O)[C@]2(C=C1C)[C@H](C)C[C@@]1([H])C(C)(C)[C@]13[H])(=O)/C(/C)=C\C
|
|
| MCULE-7792538419 |
0.61 |
CC=C(C(=O)O[C@@H]1[C@]2([C@@H](C(=C[C@]3([C@@]4(C(C)(C)[C@@]4(C[C@@H](C)[C@]2(C3=O)C=C1C)[H])[H])[H])COC(=O)C)O)O)C
|
|
| MCULE-4463956225 |
0.61 |
C1CC2(C)C3CC4(O)OC(=O)C=C4C(C)C3C(O)C(OC(C)=O)C2C(C)(CO)C1
|
|
| MCULE-5291995880 |
0.61 |
O=C(O)C12C3CCC4(C)C(C5COC(C=5)=O)CCC4(C3CCC1(O)CC(O)CC2)Cl
|
|
| MCULE-9469349565 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)=C(COC(=O)C)C#N
|
|
| MCULE-9878715932 |
0.61 |
C1(C2(C)C(=O)CC3(C(C2CC=C1C(C)(C)C(O)=O)(C)CC(O)C3C(C(=O)/C=C/C(OC(=O)C)(C)C)(O)C)C)CC(=O)O
|
|
| MCULE-2768288313 |
0.61 |
C1(=O)C=C2[C@](C)(C=C1)C1[C@]([H])([C@@]3([H])[C@@](CC=1)(C)C(C(=O)COC(C)=O)=CC3)CC2
|
|
| MCULE-8068988767 |
0.61 |
C[C@]12CC=C3[C@](CCC4[C@]3(C)C=CC(=O)C=4)([H])[C@]1([H])CC=C2C(=O)COC(=O)C
|
|
| MCULE-1550088986 |
0.61 |
CC(C(N)=O)OC(C1CCCCCC=1)=O
|
|
| MCULE-1787631563 |
0.61 |
CCC1C(=C(C(O)=O)C)COC1
|
|
| MCULE-9020683684 |
0.61 |
CC(C1C(=C(C(O)=O)C)COC1)C
|
|
| MCULE-9983704891 |
0.61 |
CC1OCC(=CC(O)=O)CC1
|
|
| MCULE-2112245744 |
0.61 |
CCCCCC[C@](CC=CCCCCCCCC(OC)=O)(OC(C)=O)[H]
|
|
| MCULE-4508036866 |
0.61 |
[C@]12(C)C[C@H]3OC(C(=C)[C@H]3C[C@]1([C@]2([H])CCC(C)=O)[H])=O
|
|
| MCULE-7284631582 |
0.61 |
O=C1C(=C)[C@@]2([H])C[C@@]3([C@@](C[C@@]2([H])O1)(C)[C@H]3CCC(=O)C)[H]
|
|
| MCULE-3156162562 |
0.61 |
CC(C1C(=CC(O)=O)COC1)C
|
|
| MCULE-6570626188 |
0.61 |
C1(C(O[C@]2([H])C[C@]3([C@@]([H])(C[C@@]21[H])[C@]3([H])CCC(O)C)C)=O)=C
|
|
| MCULE-3873973273 |
0.61 |
CC1OCC(=C(C(O)=O)C)CC1
|
|
| MCULE-5990747143 |
0.61 |
CCC1C(=CC(O)=O)COC1
|
|
| MCULE-3003712811 |
0.61 |
C(CC(C)CC)(OC1C(C(C)C)C(O)C=C(CO)C1=O)=O
|
|
| MCULE-3293112049 |
0.61 |
C1=C[C@@H](OC(C)=O)[C@@H]([C@H]2O[C@@H]2C)OC1=O
|
|
| MCULE-1191180792 |
0.61 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CC=C2C1)=O)=O
|
|
| MCULE-8726234628 |
0.61 |
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-2804316805 |
0.61 |
O1C(CC2C1CC=CC2)=O
|
|
| MCULE-1558356423 |
0.61 |
[C@]12(O)C(C)=CC(=O)C1=C(C)CCC1[C@@H]2OC(C1=C)=O
|
|
| MCULE-1187877446 |
0.61 |
C1(C)C2(C(=C(C(=O)OC)C2(C)C=1C)C(OC)=O)C
|
|
| MCULE-4098552700 |
0.61 |
C1[C@@]2(C)C(C[C@@H](C(OC)=O)[C@]3([H])C2=CC[C@@]2(C)[C@@]3([H])CC[C@]32CCC(=O)O3)=CC(=O)C1
|
|
| MCULE-2555920424 |
0.61 |
O=C(OC)[C@H]1[C@]2([H])C(=CC[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)[C@]2(C)C(=CC(=O)CC2)C1
|
|
| MCULE-9050797198 |
0.61 |
C12C(O)CC3C=CC(C=C1C(OC)=O)C32
|
|
| MCULE-3334544373 |
0.61 |
C12=CCC3(C(CCC43CCC(=O)O4)C1C(CC1=CC(=O)CCC21C)C(OC)=O)C
|
|
| MCULE-6530848078 |
0.61 |
C1C[C@@]2(C)C(CCC(=C)[C@@H]2CC/C(=C/C(OC)=O)/C)[C@](C(O)=O)(C)C1
|
|
| MCULE-9182352754 |
0.61 |
C1C2OC2C=CC(C(C)(C)C(=O)OC1CC(CCC)O)O
|
|
| MCULE-7007682454 |
0.61 |
[C@]12(C)C[C@@H]3C(=C)C(=O)O[C@@H]3C[C@H](C)[C@]1([H])CC(=O)[C@@H]2O
|
|
| MCULE-1138338360 |
0.61 |
CC12C3(OC(=O)CC3)CCC1C1CC=C3C(C)(C1CC2)CCC(O)C3
|
|
| MCULE-4300685547 |
0.61 |
C1(C)C(C)C(CC(=O)CC(=O)OCC)C(=O)C=1
|
|
| MCULE-9075211166 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@]12CCC(=O)O1)[H]
|
|
| MCULE-1491500449 |
0.61 |
O1C(CC2C1C1(C)C(C2)C2C(CC1)C1(C)CCC(O)CC1=CC2)=O
|
|
| MCULE-4559063392 |
0.61 |
C12C(=O)CC3(C)C(=CCC3C1CCC1CC(CCC21C)OC(=O)CC)C(=O)C
|
|
| MCULE-2569630579 |
0.61 |
C12(CCCCC1)C(=O)OC(C(C)(C)C2=O)/C=C/C
|
|
| MCULE-5711398890 |
0.61 |
C1C[C@@]2([C@@]([H])([C@@](C1)(C(O)=O)C)CC[C@@]13C[C@@](CC[C@@]21O)([H])C(=C)[C@@H]3OC(=O)/C(/C)=C\C)C
|
|
| MCULE-9485008266 |
0.61 |
[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-9306456156 |
0.61 |
C12(CCCCC1)C(=O)OC(C(C)(C)C2=O)C=CC
|
|
| MCULE-4177898924 |
0.61 |
COC(C[C@H](OC(C1CCCC=1)=O)C)=O
|
|
| MCULE-2994624081 |
0.61 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(CCC(O)=O)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
|
|
| MCULE-8063305081 |
0.61 |
C12(O)C(=O)OCC1=CC(OC(=O)/C=C/C=C/C(C(C)O)=O)C1C(CCCC21C)(C)C
|
|
| MCULE-4737170304 |
0.61 |
C1CC(C)(C)C2C(C1)(C1(C(OCC1=CC2OC(/C=C/C=C/CC(O)C)=O)=O)O)C
|
|
| MCULE-8387556879 |
0.61 |
C1C[C@]2(C(C(C)(C)C1)[C@H](OC(/C=C/C=C/C(O)C(C)O)=O)C=C1COC(=O)[C@]21O)C
|
|
| MCULE-4767922502 |
0.61 |
CSCCCC(OC1C=C(C)CC(C)(C)C1)=O
|
|
| MCULE-1668194860 |
0.61 |
C1CC2(C)C3CCC4(C)C(C5=CC(=O)OC5OC)CCC4(O)C3CCC2CC1O
|
|
| MCULE-3584333382 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC(C=O)=C2Cl)[H]
|
|
| MCULE-9093728561 |
0.61 |
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-2307191320 |
0.61 |
O1C2C3C(C1C(O)CC3C(O)C=C2)C(OC(C)C)=O
|
|
| MCULE-1882447244 |
0.61 |
C1CC2(C)C3CC4(OC)OC(=O)C=C4C(C)C3C(O)C(OC(C)=O)C2C(C)(C)C1OC(=O)C
|
|
| MCULE-9196010352 |
0.61 |
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-8131321980 |
0.61 |
C1(=C[C@]2([H])[C@H](C)C(C)=CC32[C@]1(COC(=O)[C@@]3(CO)O)[H])C(O)=O
|
|
| MCULE-3325335892 |
0.61 |
[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-5549887798 |
0.61 |
C12C(CCC3([H])C[C@H](O)CC[C@]13C)C1CCC(C(C)CCC(OC)=O)[C@]1([C@@H](OC)C=2)C
|
|
| MCULE-5485844450 |
0.61 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1OC(=O)C
|
|
| MCULE-2503470402 |
0.61 |
C1C[C@]2([H])C[C@]3(C(=C)COC3=O)C[C@]2(C)[C@@H](C)C1
|
|
| MCULE-9253743476 |
0.61 |
CC1([C@H](OC(=O)C)CC[C@@]2(C)[C@H]1CCC1[C@@]3(C)[C@]([C@@H]([C@H](C(=O)O)CC/C=C(/C)\C)CC3)(C)CCC=12)C
|
|
| MCULE-1695863761 |
0.61 |
C12C(CCC3([H])CC(O)CCC13C)C1CCC(C(C)CCC(OC)=O)C1(C(OC)C=2)C
|
|
| MCULE-4320007788 |
0.61 |
C1[C@H]2C[C@H]([C@H](C=C[C@@H](O)CCCCC)[C@H]2CC=CCCCC(O)=O)O1
|
|
| MCULE-5491138764 |
0.61 |
C1(=O)C2C(C)C=C(CC2C(=O)O1)C
|
|
| MCULE-3981843538 |
0.61 |
C12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
|
|
| MCULE-1124925533 |
0.61 |
C1(C)CC23CCCCCCCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-5641241273 |
0.61 |
O=C1C2C3C=CC(CCCC3)C2C(=O)O1
|
|
| MCULE-7037894510 |
0.61 |
[C@]12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
|
|
| MCULE-3583239018 |
0.61 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(=C)C2=C1)OC(C)=O
|
|
| MCULE-5593960668 |
0.61 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)OC(CC)=O
|
|
| MCULE-9909269217 |
0.61 |
C1CC21C(C1C(=O)OC(=O)C1)C=CC2C
|
|
| MCULE-5800803041 |
0.61 |
C1CCCC23C(=O)OC(=O)C2(CC=CC3)CCCCC1
|
|
| MCULE-3344154059 |
0.61 |
O=C1CCC2(C3C(CC4(C)C(CCC4C3CCC2=C1)OC(C)=O)OC(C)=O)[H]
|
|
| MCULE-2653956413 |
0.61 |
C1(C)(C(O1)C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(=CCC[C@]2(O[C@@]2([H])[C@@]2([H])OC(=O)C(=C)[C@]12[H])C)C(OC)=O
|
|
| MCULE-1732150336 |
0.61 |
O1C(=O)C(O)C2CC=CC12
|
|
| MCULE-1459395786 |
0.61 |
C1CC2(C)C(CCC(CC(O)=O)C)=C(C)C(O)C(OC(=O)C)C2C(C)(C)C1
|
|
| MCULE-9913764168 |
0.61 |
C1(=O)[C@H](O)[C@]2([C@]([H])(C=CC2)O1)[H]
|
|
| MCULE-2778816204 |
0.61 |
C1C[C@]2([H])[C@@]3([H])CC[C@]4(C)[C@@](C#C)(OC(C)=O)CC[C@@]4([H])[C@]3([H])CCC2=C[C@H]1OC(=O)C
|
|
| MCULE-4090607765 |
0.61 |
C1=C(C(OC)=O)C[C@@H](O)[C@H](O)[C@@H]1O
|
|
| MCULE-8639038057 |
0.61 |
C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3([H])CC[C@H](OC(=O)C)C=4)([H])[C@]1([H])CC[C@@]2(OC(=O)C)C#C
|
|
| MCULE-9592035402 |
0.61 |
OC1C(O)C=C(CC1O)C(OC)=O
|
|
| MCULE-4940046247 |
0.61 |
C1(C(OC)=O)CC2CC3=C(CC=2CC=1C(OC)=O)CC(C(OC)=O)=C(C(OC)=O)C3
|
|
| MCULE-9672207738 |
0.61 |
O1[C@]2([H])[C@@]3([H])C(C)=CC[C@@]43O[C@]4(C)CC[C@@]2([H])C(=C)C1=O
|
|
| MCULE-2320096475 |
0.61 |
C12C3C(C)=CCC3C(CC(OC(C)=O)C1C(C(=O)O2)=C)(C)O
|
|
| MCULE-4917707226 |
0.61 |
C12(C(OCC)=O)C=CC(=O)C1C1CC2C=C1
|
|
| MCULE-9408406006 |
0.61 |
[C@]123CC=C(C)[C@]1([H])[C@@H]1[C@@H](CC[C@@]2(O3)C)C(C(=O)O1)=C
|
|
| MCULE-8746775494 |
0.61 |
[C@@H]12C3C(C)=CCC3[C@](C[C@H](OC(C)=O)C1C(C(=O)O2)=C)(C)O
|
|
| MCULE-4340391803 |
0.61 |
CC1[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]3(C)O[C@]23CC=1
|
|
| MCULE-7361304189 |
0.61 |
[C@]123CC=C(C)[C@]1([H])[C@@H]1[C@@H](CC[C@@]2(O3)C)C(C(=O)O1)=C
|
|
| MCULE-3343469308 |
0.61 |
C1[C@@H](O)[C@]2(C)C[C@H](OC(=O)C(C)=C)[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
|
|
| MCULE-3130495610 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(=O)C=CC1=CC=CC=C1
|
|
| MCULE-1435970491 |
0.61 |
C1(/C=C(\C)/C)C(C)(C)C1C(=O)OC1CC(=O)C(CC#C)=C1C
|
|
| MCULE-5702185362 |
0.61 |
[C@]123O[C@@]1([H])[C@@]1([H])[C@@](O1)(C(C)C)[C@@H](O)[C@]12O[C@@]1([H])C[C@@]1([H])C2COC(=O)C=2CC[C@]31C
|
|
| MCULE-3556341827 |
0.61 |
CC(C12C(O)C34C(CC5C(C)(C63C(O6)C1O2)CCC1C(OCC5=1)=O)O4)C
|
|
| MCULE-3581898493 |
0.61 |
C1C[C@]2(C)[C@]34O[C@H]3[C@@H]3O[C@]3(C(C)C)[C@@H](O)[C@]34O[C@H]3C[C@@]2([H])C2COC(=O)C1=2
|
|
| MCULE-8302905584 |
0.61 |
C1CC2CC1C13C4C(C(OC)=O)=C(C(OC)=O)C(C54CC5)C21O3
|
|
| MCULE-4909295164 |
0.61 |
C12C(OC(C)=O)CC3C(CCCC3(C)C)C=1C(C(O)=C(C(C)C)C2=O)=O
|
|
| MCULE-3169829105 |
0.61 |
C12[C@H]3OC(C(=C)C3[C@@H](CC(=CCC[C@]1(O2)C)C)OC(=O)/C(/C)=C/CO)=O
|
|
| MCULE-6838419999 |
0.61 |
CCN1C(=O)CC(COC(C2CCCCCC=2)=O)C1
|
|
| MCULE-6605023747 |
0.61 |
C(C)(C(=O)OCC)=C(C)CCCCCC
|
|
| MCULE-8774906136 |
0.61 |
C(C)(=CCCCCCC)C(=O)OCC
|
|
| MCULE-7798364734 |
0.61 |
C1CC2(C)C3(O)COC(=O)C3=CC(C2C(C)(CO)C1)OC(C1C=CC=CC=1)=O
|
|
| MCULE-9588132700 |
0.61 |
CC1OC(C)C(=CC(OC(C)(C)C)=O)C1
|
|
| MCULE-5996622957 |
0.61 |
CCC1OCC(=CC(C)=O)C1
|
|
| MCULE-4071042564 |
0.61 |
C1(=C(/C(=O)OC)\C)\[C@]2([H])[C@]34OC(=O)C(COC(=O)C)=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-9144820188 |
0.61 |
C(=C(C)CC(OCC)C=C(C)CCC=C(C)C)C(O)=O
|
|
| MCULE-6839503974 |
0.61 |
CC(C1OCC(=CC(C)=O)C1)C
|
|
| MolPort-046-596-376 |
0.61 |
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-046-162-881 |
0.61 |
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-001-740-303 |
0.61 |
C\C=C(\C)C(=O)O[C@H]1C(=C)[C@@H]2C[C@@]11CC[C@@H]3[C@@](C)(CCC[C@@]3(C)[C@]1(O)CC2)C(O)=O
|
|
| MolPort-042-684-544 |
0.61 |
Cl.CCOC(=O)C1=CCC(N)C1
|
|
| MolPort-046-762-565 |
0.61 |
CC(=O)OC1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
|
|
| MolPort-002-194-473 |
0.61 |
C\C=C\C1OC(=O)C2(CCCCC2)C(=O)C1(C)C
|
|
| MolPort-029-919-993 |
0.61 |
COC(=O)C[C@@H](C)OC(=O)C1=CCCC1
|
|
| MolPort-002-527-248 |
0.61 |
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-006-665-999 |
0.61 |
CC(=O)OC1CCC2C3C=CC4=CC(=O)CCC4C3CC[C@]12C
|
|
| MolPort-002-511-669 |
0.61 |
CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(=O)CCC(O)=O
|
|
| MolPort-027-720-499 |
0.61 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-035-683-000 |
0.61 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC(C=O)=C4Cl)[C@@H]3CC=C2C1
|
|
| MolPort-001-739-763 |
0.61 |
CC(O)C(O)\C=C\C=C\C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)C12
|
|
| MolPort-005-944-066 |
0.61 |
CC(O)C\C=C\C=C\C(=O)OC1C=C2COC(=O)C2(O)C2(C)CCCC(C)(C)C12
|
|
| MolPort-005-944-602 |
0.61 |
CC(O)C(=O)\C=C\C=C\C(=O)OC1C=C2COC(=O)C2(O)C2(C)CCCC(C)(C)C12
|
|
| MolPort-039-338-125 |
0.61 |
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@@H](O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-028-950-795 |
0.61 |
CCOC(=O)C1=C(N)CCC(C)C1
|
|
| MolPort-046-153-082 |
0.61 |
COC1OC(=O)C=C1C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-035-743-130 |
0.61 |
CSCCCC(=O)OC1CC(C)(C)CC(C)=C1
|
|
| MolPort-035-772-896 |
0.61 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C=O)=C4Cl)C3CC=C2C1
|
|
| MolPort-005-945-904 |
0.61 |
COC12CC3C(C(O)C(OC(C)=O)C4C(C)(C)C(CCC34C)OC(C)=O)C(C)C1=CC(=O)O2
|
|
| MolPort-044-561-715 |
0.61 |
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-019-937-419 |
0.61 |
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-039-339-220 |
0.61 |
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-001-739-893 |
0.61 |
C[C@H]1[C@H]2C=C([C@@H]3COC(=O)[C@](O)(CO)C23C=C1C)C(O)=O
|
|
| MolPort-044-649-755 |
0.61 |
CNC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@]4(C)[C@@H](CC[C@@]3(C)[C@]1(C)CC2)[C@](C)(COC(C)=O)C=C4COC(C)=O
|
|
| MolPort-044-637-463 |
0.61 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-009-018-923 |
0.61 |
CCCCCC1OC1\C=C\C=O
|
|
| MolPort-001-569-826 |
0.61 |
CO[C@H]1C=C2C(CC[C@@H]3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
|
|
| MolPort-028-600-138 |
0.61 |
C[C@H]1CCC[C@@H]2C[C@@]3(C[C@]12C)C(=C)COC3=O
|
|
| MolPort-039-339-016 |
0.61 |
CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-002-509-604 |
0.61 |
CO[C@H]1C=C2C(CCC3C[C@H](O)CC[C@]23C)C2CCC(C(C)CCC(=O)OC)[C@@]12C
|
|
| MolPort-019-939-222 |
0.61 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-002-507-055 |
0.61 |
CC1C=C(C)C[C@H]2[C@@H]1C(=O)OC2=O
|
|
| MolPort-027-640-913 |
0.61 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-027-640-929 |
0.61 |
CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1C\C=C\CCCC(O)=O
|
|
| MolPort-000-829-812 |
0.61 |
CC1C=C(C)CC2C1C(=O)OC2=O
|
|
| MolPort-001-569-828 |
0.61 |
CC1CCC2C(CC=C3CC(CC[C@]23C)OC(C)=O)C1=O
|
|
| MolPort-000-797-000 |
0.61 |
CC1(C)CCCC2=C1CC1C(C2)C(=O)OC1=O
|
|
| MolPort-044-562-012 |
0.61 |
CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-003-931-083 |
0.61 |
CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-019-936-929 |
0.61 |
CC(CCC1=C(C)C(O)C(OC(C)=O)C2C(C)(C)CCCC12C)CC(O)=O
|
|
| MolPort-019-937-189 |
0.61 |
CC(CCC1=C(C)C(=O)[C@@H](OC(C)=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MolPort-010-969-195 |
0.61 |
CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-046-761-522 |
0.61 |
CC(=O)OC1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(C)=O)C#C)[C@@H]3CCC2=C1
|
|
| MolPort-001-739-965 |
0.61 |
COC(=O)C1=CC(O)C(O)C(O)C1
|
|
| MolPort-023-274-351 |
0.61 |
CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]13
|
|
| MolPort-002-799-473 |
0.61 |
CC(=O)OCC1CCCC2=C(C)C(=O)CCC12COC(C)=O
|
|
| MolPort-046-592-360 |
0.61 |
O[C@@H]1[C@@H]2CC=C[C@@H]2OC1=O
|
|
| MolPort-002-535-603 |
0.61 |
CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)C(=C)C12
|
|
| MolPort-003-941-317 |
0.61 |
CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(C)=O)C#C)[C@@H]3CCC2=C1
|
|
| MolPort-030-005-334 |
0.61 |
CCOC(=O)C12CCCC1=CC(=O)C2
|
|
| MolPort-039-141-863 |
0.61 |
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C
|
|
| MolPort-039-142-117 |
0.61 |
CC(=O)OC1CCC2C3CCC4(C)C(CCC4(OC(C)=O)C#C)C3CCC2=C1
|
|
| MolPort-039-337-161 |
0.61 |
CC(=C)C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CC=C(C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-003-846-182 |
0.61 |
[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
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0.61 |
[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
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0.61 |
CC12CCC3C(CC=C4CC(CCC34C)OC(=O)\C=C/C3=CC=CC=C3)C1CCC2=O
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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
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CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C
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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
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[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
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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
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CCN1CC(COC(=O)C2=CCCCCC2)CC1=O
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CC(COC(C)=O)C1=C(O)C(=O)C2=C([C@@H](C[C@H]3C(C)(C)CCC[C@]23C)OC(C)=O)C1=O
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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(COC(C)=O)C(=O)O[C@]245)[C@H]2C[C@H]2[C@]3(C)[C@@H](O)C1=O
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CCOC(C\C(C)=C/C(O)=O)\C=C(/C)CCC=C(C)C
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CCOC(=O)[C@H](C)CC(=O)CC(C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
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COC1CCCCC1OC(=O)C=C1CCC(C)C1
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C\C=C\C1OC(=O)C(C)(C)C(=O)C1(C)C
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CC(C)[C@H]1CC[C@@]2(O)COC(=O)[C@H]2[C@@H]1\C=C(/CO)C(O)=O
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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
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CC1CCCC2(C)CC3OC(=O)C(=C)C3C=C12
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CCOC(=O)C1=CCCC2(C1)OCCO2
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CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](O)[C@@H]1C\C=C/CCCC(=O)O2
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CC1CCC[C@]2(C)CC3OC(=O)C(=C)C3C=C12
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C[C@@H]1CCC[C@@]2(C)C[C@@H]3OC(=O)C(=C)[C@@H]3C=C12
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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
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C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
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CC1(C)CCC[C@]2(C)C=C(C3OCCO3)C(=O)C[C@@H]12
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[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
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CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H]2O[C@H]2C1
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CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H]2O[C@@H]2C1
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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
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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
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CCOC(=O)C1=CC(OC(CC)CC)C2OC2C1
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CCOC(=O)C1=C[C@H](OC(CC)CC)[C@@H]2O[C@@H]2C1
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CCCCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(O)=O)[C@@H]3CC=C2C1
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COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1
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CC1C\C=C\C=C\CCC(O)CCC\C=C\C(=O)O1
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CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O)OC(C)=O
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CCCCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C
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CC(=O)O[C@H]1CCC2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(C)=O)C3CC=C2C1
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C(O)=O)C3CC=C2C1
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CC(CCCC(C)=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
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CC(CCC(O)=O)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
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C[C@@H]1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)[C@@]1(C)C(C)=O)OC(C)=O
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CC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1(C)C(C)=O)OC(C)=O
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CCC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1C(C)=O)OC(C)=O
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CCCCCCC(=O)O[C@H]1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
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CCCCCCCCCCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
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CCCCCCCC\C=C/CCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
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C[C@@H]1CC2C3CC=C4CCCC(OC(C)=O)C4(C)C3CCC2(C)[C@@]1(C)C(C)=O
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CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)CCC(O)=O
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CC(CCC(O)=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
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C[C@@H]1C[C@@H](O)C2[C@@](C)(CO)CCC[C@@]2(C)[C@@]1(O)CCC1=CC(=O)OC1O
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C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O
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CC(=O)OC1CCC2C3CCC4=C(Cl)C(=O)CCC4(C)C3CCC12C
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CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(=O)CC)OC(C)=O
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CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
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C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
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C[C@@H]1CC2[C@@H]3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
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CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
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CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCC[C@@]45C(C)=O)[C@@H]3CC=C2C1
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C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(O)=O)C3CC=C2C1
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(=O)COC(=O)CCC(O)=O
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CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCCC45C(C)=O)C3CC=C2C1
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(O)=O
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CC[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CCCCC45C(C)=O)C3CC=C2C1
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CC(=O)OC1CCC2C3CCC4=C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C
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CC(=O)OC1CC2(O)C3CCC4CC(CC[C@]4(C)[C@H]3CC[C@]2(C)C1C1=CC(=O)OC1)OC(C)=O
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O=C1O[C@@]2(CC[C@@]22OC(=O)C=C2)C=C1
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C[C@H]1CC[C@@H](O)[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
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CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
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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
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CC(C)CC(=O)OC1C(C(C)C)C(O)C=C(CO)C1=O
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| MolPort-002-529-231 |
0.60 |
CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-000-734-484 |
0.60 |
CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(O)=O)C2CC1C1C3C(=O)OC1=O
|
|
| MolPort-001-764-908 |
0.60 |
O=C1OC(=O)C2C1C1CCC2C=C1
|
|
| MolPort-002-527-902 |
0.60 |
CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-019-931-805 |
0.60 |
CC1(C)CC2C=C(C3COC(=O)C(O)(CO)C23C1)C(O)=O
|
|
| MolPort-035-769-790 |
0.60 |
O=C1OC(=O)C2C1[C@H]1CC[C@@H]2C=C1
|
|
| MolPort-002-529-998 |
0.60 |
CCC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-739-511 |
0.60 |
CC(O)CC1=CC(OC1=O)C(C)O
|
|
| MolPort-006-113-131 |
0.60 |
CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-002-516-481 |
0.60 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)OC1=O
|
|
| MolPort-046-153-153 |
0.60 |
CO[C@]12C[C@](C)(O)[C@H]3CC[C@](C)(O)[C@H]3CC1=C(C)C(=O)O2
|
|
| MolPort-001-512-555 |
0.60 |
CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-044-755-249 |
0.60 |
CC(=O)O[C@@H]1CC2=C(CC[C@H]3[C@H]2CC=C2C[C@H](CC[C@]32C)OC(C)=O)[C@]1(C)C(C)=O
|
|
| MolPort-046-697-422 |
0.60 |
COC(=O)C1(O)C2=C(C(O)C(=O)C1(C)O)C(=O)C(C)CC(C)C\C(C)=C\C(C)CCC1OC2C(C)C(O)C1C
|
|
| MolPort-002-521-598 |
0.60 |
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-046-596-421 |
0.60 |
CCCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MCULE-7993538244 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
|
|
| MCULE-2355974075 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCO)CCC4C3CC=C2C1
|
|
| MCULE-1074800625 |
0.60 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1C[C@@H](CC)[C@@H]2C(CC)=O
|
|
| MCULE-9028214804 |
0.60 |
[C@@H]1(OC(C)=O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC=2
|
|
| MCULE-7379708485 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(O)=O
|
|
| MCULE-7088876584 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-4068140047 |
0.60 |
C(C)(=O)OC1CC2C(C)(C3CCC4(C)C(C(C)C(O)=O)CCC4C3CC=2)CC1
|
|
| MCULE-2803933654 |
0.60 |
C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-4910370058 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)=O
|
|
| MCULE-9491535728 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCC(O)=O
|
|
| MCULE-4605464077 |
0.60 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC(C)=O
|
|
| MCULE-9886067523 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H](CC)[C@@H]2C(C)=O)[H]
|
|
| MCULE-6412555386 |
0.60 |
[C@@]12(C)CC[C@@]3(C)[C@@]4([H])OC(=O)[C@@](C4)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C
|
|
| MCULE-2274449987 |
0.60 |
C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-9728792876 |
0.60 |
C12(C)C(=O)C(C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-8928562205 |
0.60 |
C(C)(=O)OC1CC(O)C2(CO)C3C(CC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)OC(C)=O
|
|
| MCULE-4565271647 |
0.60 |
C12CCC(C(=O)COC(=O)CCC(=O)O)C1(C)CCC1C3(C)CCC(=O)C=C3CCC21
|
|
| MCULE-9241147162 |
0.60 |
C12C3C(C)(CCC(C)(C(=O)OCC4CCCO4)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-5140986882 |
0.60 |
C/C(/C=C/C=C(\C)/C=C/C1C(C)(C)CCCC=1C)=C\COC(=O)CCCCCCCCCCCCCCC
|
|
| MCULE-1728259151 |
0.60 |
C1=CC(OC(C(O)CCCCC)C1)CCCCCCC(=O)O
|
|
| MCULE-6377189094 |
0.60 |
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-5400534993 |
0.60 |
C12(C)CCC(C(Cl)=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O
|
|
| MCULE-3036206485 |
0.60 |
C1CCC=CC=CCC(C)OC(=O)C=CCC(O)C1
|
|
| MCULE-8262647864 |
0.60 |
C(OCC=C(C)C=CC=C(C)C=CC1C(C)(C)CCCC=1C)(=O)CCCCCCCCCCCCCCC
|
|
| MCULE-3715918496 |
0.60 |
[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=C(Cl)C(=O)CC[C@]21C)OC(=O)C
|
|
| MCULE-9285741650 |
0.60 |
C1C[C@@]2(C([C@@H](C[C@@H](C)[C@]2(O)CCC2=CC(=O)OC2O)O)[C@@](C)(CO)C1)C
|
|
| MCULE-6067558194 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(CCC(O)=O)=O)[H]
|
|
| MCULE-3230983688 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C5COC(C=5)=O)C(CC4(O)C3CCC2C1)OC(C)=O
|
|
| MCULE-1322261917 |
0.60 |
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-2237975878 |
0.60 |
[C@]12(OC(=O)C=C1)[C@@]1(C=CC(=O)O1)CC2
|
|
| MCULE-4529551060 |
0.60 |
[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-2480467856 |
0.60 |
O=C1C=CC2(CCC32C=CC(=O)O3)O1
|
|
| MCULE-2917275236 |
0.60 |
[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-3743818837 |
0.60 |
C1=C(CO)C(C(OC(=O)CC(C)C)C(C1O)C(C)C)=O
|
|
| MCULE-8485365768 |
0.60 |
C1=CC2C3(OCCO3)C1C1C(OC(=O)C)C=CC12
|
|
| MCULE-3239458544 |
0.60 |
[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-5653473871 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CC)=O)[H]
|
|
| MCULE-2377407418 |
0.60 |
[C@]12([H])CC3=C(C)C(=O)O[C@@]3(OC)C[C@@](O)(C)[C@@]1([H])CC[C@@]2(O)C
|
|
| MCULE-2440450538 |
0.60 |
CC(C1C(=CC(C)=O)COC1)C
|
|
| MCULE-1412860330 |
0.60 |
[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-5907023439 |
0.60 |
[C@]1(C(=O)C)(OC(=O)CCCCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C
|
|
| MCULE-8140512979 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(=O)C(C)(C)C)[H]
|
|
| MCULE-3099268900 |
0.60 |
C12CC(C)(C)CC31C(O)(CO)C(=O)OCC3C(C(O)=O)=C2
|
|
| MCULE-5318681089 |
0.60 |
CC1OCC(=CC(C)=O)CC1
|
|
| MCULE-7578948094 |
0.60 |
C1(C(=O)OCC)CC2(CC2)CC=1C#N
|
|
| MCULE-1465573856 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCCC)=O)[H]
|
|
| MCULE-8776636782 |
0.60 |
C1CC23C(=O)OC(=O)C2(CCCC3)CC=1
|
|
| MCULE-9103372368 |
0.60 |
C1(=O)C2C3CCC(C=C3)C2C(=O)O1
|
|
| MCULE-6632709049 |
0.60 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(=O)CCCCC)(C(=O)C)CC3)CC2
|
|
| MCULE-1470825909 |
0.60 |
CCC1C(=CC(C)=O)COC1
|
|
| MCULE-5454494701 |
0.60 |
C123CCC4C(C)(CCCC4(C)C(O)=O)C1CC(C1C(OC(=O)C21)=O)C(C(C)C)=C3
|
|
| MCULE-2865063085 |
0.60 |
[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-8868589151 |
0.60 |
C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-8386752633 |
0.60 |
O=C1CCC2(C)C3C(C4CCC(C4(C)C(C=3)=O)C(OC)=O)CCC2([H])C1
|
|
| MCULE-6033104668 |
0.60 |
O1C(=O)C(CC(O)C)=CC1C(C)O
|
|
| MCULE-4359391178 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1([H])CC=CCC21C(C)=O
|
|
| MCULE-9739537409 |
0.60 |
CCOC(C(C)=C1CC(C)OC1)=O
|
|
| MCULE-8469102313 |
0.60 |
C(C)(=O)OC1CC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2=CC1=O
|
|
| MCULE-9425225826 |
0.60 |
C1(C)CC23CCCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-1255015250 |
0.60 |
C12(C)CCC3(C([H])(CC=C4CC(CCC34C)OC(C)=O)C1([H])CC(=C)C2(O)C(C)=O)[H]
|
|
| MCULE-6745997183 |
0.60 |
CC1OCC(=CC(OC(C)(C)C)=O)C1
|
|
| MCULE-4246019761 |
0.60 |
C(C)(=O)OC1CC2(C3CCC4(C)C(CCC4C3CCC2=CC1=O)OC(C)=O)[H]
|
|
| MCULE-2769077006 |
0.60 |
C1CC23CC(C)(C)CC2(C(=O)OC3=O)CC=1
|
|
| MCULE-6977051035 |
0.60 |
C1=CC2C3C(C)([H])C(C(OC)=O)=C(C(OC)=O)C(C=3C1C2)(C)[H]
|
|
| MCULE-8026301174 |
0.60 |
CC(OC(C=C1CC(C)(C)OC1)=O)(C)C
|
|
| MCULE-5053755296 |
0.60 |
C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1C
|
|
| MCULE-1094526426 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCC)=O
|
|
| MCULE-1087443932 |
0.60 |
C1CC2C3C(=O)OC(=O)C3C3CCCCC3=C2CC1
|
|
| MCULE-7225794462 |
0.60 |
C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@]2(OC(=O)CCCCC)C(C)=O)=CC(=O)C1
|
|
| MCULE-2122490766 |
0.60 |
C1CC23CCCCC2(C(=O)OC3=O)C2CCCCC=12
|
|
| MCULE-2908265762 |
0.60 |
CC1C(C)C(=C(C(O)=O)C)CO1
|
|
| MCULE-5922767585 |
0.60 |
C1(=O)C(O)(C)C(C(=O)OC)(O)C2C3C(C)C(O)C(C)C(CCC(C)C=C(C)CC(C)CC(C)C(=O)C=2C1O)O3
|
|
| MCULE-5613497776 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)C(C)(C)C
|
|
| MCULE-1835452878 |
0.60 |
C(C)(=O)OC1CC2(C)C3CCC4(C)C(CCC4C3CCC2=CC1=O)=O
|
|
| MCULE-6016945740 |
0.60 |
C(C)(=O)OC1CCC2(C)C(O)(C1)C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)=O
|
|
| MCULE-1003112205 |
0.60 |
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-7065478674 |
0.60 |
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-1795899971 |
0.60 |
C1CC23C(=O)OC(=O)C2(CCC3)CC=1
|
|
| MCULE-6468046338 |
0.60 |
CC1C(C)C(=CC(O)=O)CO1
|
|
| MCULE-6742056471 |
0.60 |
C1(CCCCCC)=C(Cl)C(OC1=O)=O
|
|
| MCULE-7091792733 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(CC)=O)[H]
|
|
| MCULE-7519944367 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCCC)=O
|
|
| MCULE-1555066285 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCC)=O)[H]
|
|
| MCULE-5937604280 |
0.60 |
C1C2O[C@]2(C[C@]2(O)C(C[C@H]3O[C@@]3(C)C1)=C(C)C(=O)O2)C
|
|
| MCULE-3861744236 |
0.60 |
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-5110860846 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@]4([H])C[C@H](CC[C@]34C)OC(C)=O)C1=CC=C2C1COC(=O)C=1)[H]
|
|
| MCULE-5303288459 |
0.60 |
C12C=C(C)C(=O)C1(O)CC(CO)=CC1C3C(C)(C)C3(OC(CCCCCCCCCCC)=O)CC(C)C12O
|
|
| MCULE-4844058467 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CCC4C[C@@H](O)CC[C@]34C)C1=CC=C2C1COC(=O)C=1
|
|
| MCULE-8380731028 |
0.60 |
C12[C@@H](C)C[C@@H](C[C@]1(C)C[C@@H]1[C@H](C=2)C(=C)C(O1)=O)O
|
|
| MCULE-3919802292 |
0.60 |
[C@]12(C)CC(C(OC)=O)C3C(CCC4=CC(=O)C=C[C@]34C)C1CC=C2C(=O)COC(C)=O
|
|
| MCULE-1564688046 |
0.60 |
O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1/C=C/[C@@H](O)CCCCC
|
|
| MCULE-2074166404 |
0.60 |
C12C3C1C=CC1C(=O)OC2C1C=C3
|
|
| MCULE-3127663767 |
0.60 |
C1(CCCCC=1N)C(OCC)=O
|
|
| MCULE-3797371394 |
0.60 |
O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CC(O)C2=C1)C(COC(C)=O)=O
|
|
| MCULE-7361055399 |
0.60 |
CC12C3C(O)CC4(C)C5(OC(=O)CC5)CCC4C3C=CC1=CC(=O)CC2
|
|
| MCULE-5447946707 |
0.60 |
C(C)(=O)OC1CCC2(C)C3C(C4CC5C(C(C)C6(CCC(C)(CO6)[H])O5)C4(C)C(C=3)OC(C)=O)CCC2(C1)[H]
|
|
| MCULE-4985709972 |
0.60 |
C12C(CC=C(C(OC)=O)C1)O2
|
|
| MCULE-5176587980 |
0.60 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCC(O)=O)=O
|
|
| MCULE-5067610229 |
0.60 |
C(CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(OC)=O)(O)=O
|
|
| MCULE-8924549531 |
0.60 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@H](C(O)=O)CCC(=C)C(C)C)[C@H](O)C[C@@]4(C)C=3CC[C@@]2([H])C(C)(C)[C@H]1OC(C)=O
|
|
| MCULE-2046245375 |
0.60 |
C1(=O)O[C@H]2[C@H](CC([C@](C)(CCCC(C)=O)C2)=O)C1=C
|
|
| MCULE-7343644414 |
0.60 |
C[C@@]12CC[C@@]3([H])C([C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)C1=CC[C@]1([H])[C@]3([H])C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@@]21C)(C)C
|
|
| MCULE-6905450558 |
0.60 |
O1C(=O)CC(CC=CCCCCCC)C1=O
|
|
| MCULE-1158025792 |
0.60 |
O=C1CC(CC=CCCCCCCCCCCCCCCC)C(=O)O1
|
|
| MCULE-5562805253 |
0.60 |
CC(C=C1CC(C2CC2)OC1)O
|
|
| MCULE-8274191901 |
0.60 |
[C@@]12(C)C[C@H]([C@]([H])([C@H](C(=O)O)CCC(=C)C(C)C)[C@@]1(C)CCC1[C@@]3(C)CC[C@H](OC(=O)C)C(C)(C)[C@]3([H])CCC2=1)O
|
|
| MCULE-2997418374 |
0.60 |
C(OCC(CC)CCCC)(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-1110502851 |
0.60 |
C(C)(=CCCCCCC)COC(=O)CC
|
|
| MCULE-5174909262 |
0.60 |
C(CCCCCCCC=CCCCCCCCC)(OCCCC)=O
|
|
| MCULE-8661398095 |
0.60 |
CCOC(C(C)=C1C(C)CCCCC1)=O
|
|
| MCULE-3541447914 |
0.60 |
C(=O)(OCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-1124335251 |
0.60 |
C(OC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCCC
|
|
| MCULE-4218513342 |
0.60 |
C123COC4(C(=O)C51OC1(C)C(CC5(C)C4=O)C2(C(C=C2C(C)(C)OC(=O)C=C12)OC3=O)C)C
|
|
| MCULE-9061187939 |
0.60 |
C1(O)CC2C(C)(CCC3C=COC=3)C(C)CCC32COC(=O)C3=C1
|
|
| MCULE-8699525011 |
0.60 |
[C@@]123CC[C@H]([C@@]1(O)CCC(C(=O)OC)=CC2)[C@@](C)(/C=C/C=C(\C)/C(=O)O)OC3=O
|
|
| MCULE-9513010046 |
0.60 |
C1(C(CCCC)OC(=O)C(F)(F)F)C(=O)CC(CC=1Cl)(C)C
|
|
| MCULE-3531606052 |
0.60 |
CC(C(O)=O)=CC=C[C@@]1(C)OC(=O)[C@]23CC=C(C(OC)=O)CC[C@]2(O)[C@H]1CC3
|
|
| MCULE-8880352988 |
0.60 |
CC(C1CC=C(COC(C2CCN(C(C)=O)CC2)=O)CC1)=C
|
|
| MCULE-2669346206 |
0.60 |
NC(NCCCOC(C1CCCCCC=1)=O)=O
|
|
| MCULE-5746673353 |
0.60 |
C1=CC2(O)CC(=O)OC2CC1=O
|
|
| MCULE-8451955222 |
0.60 |
[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C2[C@H](C)C1
|
|
| MCULE-1833956894 |
0.60 |
COC(C(C#N)=C1CC(C2CC2)OC1)=O
|
|
| MCULE-2383807113 |
0.60 |
C1[C@@H](C)OC(=O)C[C@@H](O)C=C[C@H]2O[C@@H]12
|
|
| MCULE-9373167163 |
0.60 |
C12C3C(C4C=CC1C2C=C4)C1C3C2C=CC1C(=C2C(OC)=O)C(OC)=O
|
|
| MCULE-8024539765 |
0.60 |
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-5598436575 |
0.60 |
C(C)(=O)OC1CC2(CC=C3C(=CC(C4(C)C(C(C)CCC(OC)=O)CCC43)=O)C2(C)CC1)[H]
|
|
| MCULE-3574561675 |
0.60 |
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-1085736388 |
0.60 |
C(OCC12C3CCC4(C)C(CCC4C3CC(C1(CC=CC2=O)[H])OC(C)=O)=O)(C)=O
|
|
| MCULE-6004210718 |
0.60 |
C12(C)CC(O)C3C(C(C(OC)=O)CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1
|
|
| MCULE-3017671740 |
0.60 |
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-3121691046 |
0.60 |
COC1C(OC(C=C2CC(C)CC2)=O)CCCC1
|
|
| MCULE-3632084054 |
0.60 |
C123CCC(=O)C1C1C(=O)CCC1(O2)C=C3
|
|
| MCULE-5000124600 |
0.60 |
[C@@]1([H])([C@@H](C(C)C)CC[C@@]2(O)COC(=O)[C@@]12[H])/C=C(\CO)/C(O)=O
|
|
| MCULE-2716253173 |
0.60 |
C(C)(=O)OC1C=CCC2C(OC(C21)=O)=O
|
|
| MCULE-8782047011 |
0.60 |
[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
|
|
| MCULE-5390730136 |
0.60 |
O1C2(CCC=C(C(OCC)=O)C2)OCC1
|
|
| MCULE-2395243989 |
0.60 |
C1(Br)(Br)C(=O)C(C(=O)OCC)=CC(C)(C)C1
|
|
| MCULE-3918182667 |
0.60 |
C12OC1CC(C(=O)OCC)=CC2OC(CC)CC
|
|
| MCULE-8228471643 |
0.60 |
O1[C@@H]2[C@H]1[C@H](OC(CC)CC)C=C(C(OCC)=O)C2
|
|
| MCULE-8917149750 |
0.60 |
CC1(C2(OC(C)CC2)C(C)=CCC1)C
|
|
| MCULE-3490442378 |
0.60 |
C1C[C@]2(C)CC[C@@H](C(C(=O)OC)=C)CC2=C(C)C1
|
|
| MCULE-9533823250 |
0.60 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-5701442831 |
0.60 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(C)=O
|
|
| MCULE-8712822346 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(C)=O)[H]
|
|
| MCULE-8183627372 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1CCCCC21C(C)=O
|
|
| MCULE-3093682807 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-8016431488 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@]6(C(=O)O[C@@]([H])(C6)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)C
|
|
| MCULE-4121090747 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(CC)C2C(C)=O
|
|
| MCULE-9076166215 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(O)=O)[H]
|
|
| MCULE-3880817234 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCC(CC)=O)CCC4C3CC=C2C1
|
|
| MCULE-6118345848 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C(CCC(C)C)=O)CCC4C3CC=C2C1
|
|
