| MolPort-001-740-741 |
0.95 |
C[C@]1(C[C@H](O)[C@@H]2[C@H](OC(=O)C2=C)[C@H]1C(=C)CO)C=C
|
|
| MolPort-039-338-576 |
0.95 |
CC(=C)C1[C@H]2OC(=O)C(=C)[C@H]2C(O)CC1(C)C=C
|
|
| MCULE-4824022658 |
0.95 |
C1C(O)[C@]2([H])C(=C)C(=O)O[C@]2([H])C(C(C)=C)C1(C=C)C
|
|
| MCULE-3168594210 |
0.95 |
O[C@H]1C[C@@](C)(C=C)[C@H](C(=C)CO)[C@H]2OC(=O)C(=C)[C@@H]21
|
|
| MCULE-4426803651 |
0.95 |
C12(C)C(O)CC(C(=C)C1CC1C(OC(C1=C)=O)C2)O
|
|
| MolPort-002-746-632 |
0.95 |
CC12CC3OC(=O)C(=C)C3CC1C(=C)C(O)CC2O
|
|
| MCULE-4347835968 |
0.92 |
[C@@]12([H])CC[C@H](O)[C@@]1(C)[C@@H](O)[C@@H]1C(=C)C(=O)O[C@H]1C[C@H]2C
|
|
| MCULE-1501922749 |
0.92 |
[C@@]12(C)[C@H](O)C[C@H](O)[C@@]1([H])C(C)C[C@@H]1OC(=O)C(=C)[C@H]1C2O
|
|
| MCULE-7751199326 |
0.92 |
C1CC(C=O)C2C3OC(=O)C(=C)C3C(O)CC2(C)C1O
|
|
| MCULE-4077568356 |
0.92 |
[C@]12(O)C(CCC[C@]1(C)C[C@@H]1[C@H](C2)C(=C)C(O1)=O)=C
|
|
| MCULE-3773780560 |
0.92 |
C1CC2(C)CC3OC(=O)C(=C)C3CC2(O)C(=C)C1
|
|
| MolPort-006-668-672 |
0.92 |
CC12CC(O)C3C(OC(=O)C3=C)C1C(CCC2O)C=O
|
|
| MolPort-035-706-168 |
0.92 |
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@]2(C)[C@@H](O)CC[C@@H]12
|
|
| MolPort-002-526-830 |
0.92 |
CC1C[C@@H]2OC(=O)C(=C)[C@H]2C(O)[C@]2(C)[C@H](O)C[C@H](O)[C@@H]12
|
|
| MolPort-029-943-133 |
0.92 |
CC12CCCC(=C)C1(O)CC1C(C2)OC(=O)C1=C
|
|
| MolPort-023-274-350 |
0.92 |
C[C@]12CCCC(=C)[C@]1(O)C[C@H]1[C@@H](C2)OC(=O)C1=C
|
|
| MolPort-001-742-428 |
0.91 |
C[C@@]12C[C@H]3OC(=O)C(=C)[C@H]3CC1C(=C)CC[C@H]2O
|
|
| MolPort-001-741-705 |
0.91 |
CC(CO)C(=O)O[C@H]1CC(C)(C=C)C([C@H]2OC(=O)C(=C)[C@H]12)C(=C)CO
|
|
| MolPort-001-741-249 |
0.90 |
O[C@H]1C[C@@H]2[C@@H]([C@H]3OC(=O)C(=C)[C@@H]3[C@H](O)CC2=C)C1=C
|
|
| MolPort-006-668-666 |
0.90 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(C)C)C=C
|
|
| MolPort-039-052-411 |
0.90 |
C[C@@]12CC[C@H]3O[C@]3(C)C[C@@H]3OC(=O)C(=C)[C@H]3C[C@@H]1O2
|
|
| MolPort-006-668-664 |
0.89 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(=C)C(O)CO)C=C
|
|
| MolPort-006-668-663 |
0.89 |
CC1(CC(OC(=O)C(=C)C(O)CO)C(C(O)C1C(=C)CO)C(=C)C(O)=O)C=C
|
|
| MolPort-002-509-243 |
0.89 |
C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CCC1=C
|
|
| MCULE-6118010482 |
0.89 |
[C@]12(C)C(O1)C[C@@]1([H])C(=C)CC[C@@H]3[C@H](OC(C3=C)=O)[C@@]21[H]
|
|
| MCULE-9782090212 |
0.89 |
C=CC1(C)CC(OC(=O)C(C(CO)O)=C)C(C(=C)C(=O)O)C(O)C1C(=C)CO
|
|
| MCULE-8026370890 |
0.89 |
C=CC1(C)CC(OC(=O)C(C(CO)O)=C)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
|
|
| MCULE-7957245335 |
0.89 |
C1C(O)C2(C)CC(OC(=O)C(=C)C(O)CO)C(C(=C)C(=O)OC)C(O)C2C(O)(CO)C1
|
|
| MCULE-9466721629 |
0.89 |
C[C@]12CC[C@@]3([H])C(=C)C(=O)O[C@]3([H])[C@@]3([H])[C@@](O)(C)CC[C@]13O2
|
|
| MolPort-046-418-659 |
0.89 |
C[C@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]3[C@@]1(CC[C@@]3(C)O)O2
|
|
| MolPort-019-937-178 |
0.89 |
COC(=O)C(=C)C1C(O)C2C(O)(CO)CCC(O)C2(C)CC1OC(=O)C(=C)C(O)CO
|
|
| MolPort-019-937-239 |
0.88 |
C[C@@]12CC[C@@H]3[C@H](OC(=O)C3=C)[C@H]1C(=C)CC[C@H]2O
|
|
| MCULE-3711572146 |
0.88 |
[C@]123[C@@H](C)CCC[C@]1(C)C[C@@]1([C@@]([H])(C(=C)C(O1)=O)[C@@H]2O3)[H]
|
|
| MolPort-002-524-486 |
0.87 |
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@H](O)C[C@H](OC(C)=O)[C@@H]12
|
|
| MolPort-039-338-339 |
0.87 |
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)[C@@H]12
|
|
| MCULE-2167149407 |
0.87 |
[C@@]12([H])[C@@H](OC(=O)C)C[C@H](O)[C@@]1(C)[C@@H](OC(C)=O)[C@@H]1C(=C)C(=O)O[C@H]1C[C@H]2C
|
|
| MCULE-4724847409 |
0.87 |
[C@@]12(C)[C@H](O)C[C@H](OC(C)=O)[C@@]1([H])[C@H](C)C[C@@H]1OC(=O)C(=C)[C@H]1[C@@H]2OC(C)=O
|
|
| MolPort-001-741-258 |
0.86 |
OCC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)C(=C)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-001-740-239 |
0.86 |
COC(=O)C(=C)[C@H]1[C@H](O)C2C(=C)C(=O)OC[C@]2(C[C@@H]1OC(=O)C(=C)CO)C=C
|
|
| MolPort-002-512-334 |
0.86 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1=C
|
|
| MCULE-5051144608 |
0.86 |
C1(=C)[C@@]2([H])[C@]([H])(C(=C)C[C@@H]([C@@H]3[C@@H]2OC(=O)C3=C)OC(=O)C(CO)=C)C[C@@H]1O
|
|
| MCULE-5935925259 |
0.86 |
O1C[C@]2(C=C)C([C@H]([C@@H]([C@@H](OC(=O)C(CO)=C)C2)C(=C)C(OC)=O)O)C(C1=O)=C
|
|
| MCULE-7304039848 |
0.86 |
C1C[C@]2(C)C[C@@]3([H])OC(=O)C(=C)[C@@]3([H])C[C@@]2([H])C(=C)C1
|
|
| MCULE-8316292329 |
0.86 |
C1(=O)O[C@H]2[C@H](C[C@@]3([C@](C)(CCCC3=C)C2)[H])C1=C
|
|
| MCULE-1298920669 |
0.86 |
C1(=O)OC2C(CC3(C(C)(CCCC3=C)C2)[H])C1=C
|
|
| MCULE-2704123094 |
0.86 |
C1CC(C=O)C2C(O)C(C(=C)C(=O)OC)C(OC(=O)C(C(CO)O)=C)CC2(C)C1O
|
|
| MCULE-8223475648 |
0.86 |
C1(=O)C[C@@]2(C(=C)C(=O)O[C@]2([H])C[C@@]1(O)C)[H]
|
|
| MolPort-006-668-369 |
0.86 |
COC(=O)C(=C)C1C(O)C2C(CCC(O)C2(C)CC1OC(=O)C(=C)C(O)CO)C=O
|
|
| MolPort-039-338-420 |
0.86 |
C[C@]1(O)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O
|
|
| MolPort-002-513-613 |
0.85 |
C[C@@]12CCC[C@]3(C)C[C@H]4OC(=O)C(=C)[C@H]4C[C@@]13O2
|
|
| MolPort-006-668-457 |
0.85 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(=C)C(O)COC(C)=O)C=C
|
|
| MCULE-9718510983 |
0.85 |
[C@@]123C[C@@]4([H])[C@](C[C@@]1(C)CCC[C@]2(O3)C)([H])OC(=O)C4=C
|
|
| MCULE-9180779667 |
0.85 |
C=CC1(C)CC(OC(=O)C(C(COC(=O)C)O)=C)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
|
|
| MCULE-2563487662 |
0.85 |
[C@]12(C)[C@H](O)CC[C@@](C)(O)C1[C@H]([C@@H]1C(C(=O)O[C@H]1C2)=C)OC(=O)C(C)=CC
|
|
| MCULE-6179991618 |
0.85 |
C1(=O)O[C@]2([C@]([H])(CC3[C@](C)(CCC[C@@]43CO4)C2)C1=C)[H]
|
|
| MolPort-002-524-702 |
0.85 |
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-002-513-483 |
0.85 |
C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1=C
|
|
| MolPort-001-740-235 |
0.84 |
COC(=O)C(=C)[C@@H]1[C@@H](O)C[C@@]2(COC(=O)C(=C)[C@@H]2[C@H]1O)C=C
|
|
| MolPort-006-668-409 |
0.84 |
COC(=O)C(=C)C1C(O)C2C(=O)CCC(O)C2(C)CC1OC(=O)C(=C)C(O)CO
|
|
| MolPort-019-937-286 |
0.84 |
OC1CC2C(C3OC(=O)C(=C)C3CCC2=C)C1=C
|
|
| MCULE-3919243085 |
0.84 |
C1CC(=O)C2C(O)C(C(=C)C(=O)OC)C(OC(=O)C(C(CO)O)=C)CC2(C)C1O
|
|
| MCULE-9964052623 |
0.84 |
C1(=O)O[C@@H]2C(C[C@@]3([C@]([H])(CC[C@@]3(C)O)C(=C)C2)[H])C1=C
|
|
| MolPort-001-742-436 |
0.84 |
C[C@@]1(O)CC[C@H]2[C@H]1CC1[C@H](CC2=C)OC(=O)C1=C
|
|
| MCULE-8726454334 |
0.83 |
[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-3027295931 |
0.83 |
C12C3OC(=O)C(=C)C3CCC(=C)C1CC(OC(=O)C)C2=C
|
|
| MCULE-7138852957 |
0.83 |
[C@@]12([H])[C@@]([H])(CC3[C@@](C)(C([H])(C)CCC=3)C1([H])O)OC(=O)C2=C
|
|
| MCULE-2088102696 |
0.83 |
[C@H]12[C@H](CC3[C@@](C)(C([H])(C)CCC=3)C1([H])O)OC(=O)C2=C
|
|
| MolPort-001-742-454 |
0.83 |
CC1=CC[C@H](O)[C@@]2(C)C[C@@H](O)[C@@H]3[C@@H](OC(=O)C3=C)[C@H]12
|
|
| MolPort-019-937-028 |
0.83 |
CC(=O)OC1CC2C(C3OC(=O)C(=C)C3CCC2=C)C1=C
|
|
| MolPort-046-703-034 |
0.83 |
C=C1CC2(CCCCC2)OC1=O
|
|
| MolPort-002-528-365 |
0.83 |
CC1CCC=C2C[C@H]3OC(=O)C(=C)[C@H]3C(O)[C@]12C
|
|
| MolPort-002-527-443 |
0.83 |
CC1CCC=C2C[C@@H]3OC(=O)C(=C)[C@@H]3C(O)[C@]12C
|
|
| MolPort-046-761-037 |
0.83 |
C[C@H]1CC[C@H](O)[C@@H]2[C@@H](O)[C@@]3(C[C@]12C)C(=C)COC3=O
|
|
| MolPort-039-052-526 |
0.82 |
CC(C)C(=O)O[C@@H]1C[C@]2(C)CC[C@@](O)(O2)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MCULE-2873628166 |
0.82 |
[C@@]12([H])CC[C@H](O)[C@@]1(C)C[C@@H]1C(=C)C(=O)O[C@H]1C[C@H]2C
|
|
| MCULE-4529272492 |
0.82 |
O1C(=O)C(=C)[C@H](C(O)=O)[C@H]1CCCCCCCC
|
|
| MCULE-3406017340 |
0.82 |
O1C(=O)C(=C)C(C(O)=O)C1CCCCCCCC
|
|
| MolPort-035-706-167 |
0.82 |
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)CC[C@@H]12
|
|
| MolPort-009-018-948 |
0.82 |
CCCCCCCC[C@H]1OC(=O)C(=C)C1C(O)=O
|
|
| MolPort-006-822-549 |
0.82 |
CCCCCCCCC1OC(=O)C(=C)C1C(O)=O
|
|
| MolPort-005-933-439 |
0.82 |
CCCCCCCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O
|
|
| MolPort-023-276-452 |
0.82 |
CCCCCCCC[C@H]1OC(=O)C(=C)[C@@H]1C(O)=O.CCCCCCCC[C@@H]1OC(=O)C(=C)[C@H]1C(O)=O
|
|
| MCULE-7580636459 |
0.81 |
[C@]12(C)[C@@H](O)CCC(=C)C1COC2=O
|
|
| MCULE-5499763478 |
0.81 |
[C@@]12(C(C)(O)[C@@H]3OC(=O)C(=C)[C@@H]3CC[C@@H]1C)CCC(=O)O2
|
|
| MCULE-3343469308 |
0.81 |
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
|
|
| MolPort-001-741-128 |
0.81 |
C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)[C@@]11CCC(=O)O1
|
|
| MolPort-039-337-161 |
0.81 |
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-001-742-424 |
0.80 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2C[C@]2(C)[C@@H](O)[C@@H](O)CC12
|
|
| MolPort-006-668-667 |
0.80 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(\C)=C/COC(C)=O)C=C
|
|
| MolPort-006-668-458 |
0.80 |
CC(=O)OC\C=C(\C)C(=O)OC1CC(C)(C=C)C(C(O)C1C(=C)C(O)=O)C(=C)CO
|
|
| MCULE-6599042408 |
0.80 |
[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-5311242901 |
0.80 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/C)C(C(=C)C(=O)O)C(O)C1C(=C)CO
|
|
| MCULE-1198051930 |
0.80 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/C)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
|
|
| MCULE-8687752377 |
0.80 |
O=C(O)[C@H]1[C@@H](OC(=O)C1=C)CCC
|
|
| MCULE-9495313349 |
0.80 |
[C@@]12(C)C(=O)CC[C@@]1(O)[C@@H](C)CC[C@]1([H])[C@@]2([H])OC(C1=C)=O
|
|
| MCULE-3200180671 |
0.80 |
[C@@]12(C)[C@H](O)C[C@H](O)[C@@]1([H])[C@H](C)[C@H]([C@@H]1OC(=O)C(=C)[C@H]1[C@H]2OC(C)=O)O
|
|
| MCULE-4045639684 |
0.80 |
C12(C)C(=O)CCC1(O)C(C)CCC1C2OC(C1=C)=O
|
|
| MCULE-4508036866 |
0.80 |
[C@]12(C)C[C@H]3OC(C(=C)[C@H]3C[C@]1([C@]2([H])CCC(C)=O)[H])=O
|
|
| MCULE-6570626188 |
0.80 |
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-7284631582 |
0.80 |
O=C1C(=C)[C@@]2([H])C[C@@]3([C@@](C[C@@]2([H])O1)(C)[C@H]3CCC(=O)C)[H]
|
|
| MolPort-010-969-190 |
0.80 |
CC1CCC2C(OC(=O)C2=C)C2(C)C(=O)CCC12O
|
|
| MolPort-005-945-004 |
0.80 |
CC(O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C
|
|
| MolPort-001-742-430 |
0.80 |
CC(=O)CC[C@H]1[C@@H]2C[C@H]3[C@@H](C[C@]12C)OC(=O)C3=C
|
|
| MolPort-044-183-225 |
0.80 |
CCC[C@@H]1OC(=O)C(=C)[C@H]1C(O)=O
|
|
| MolPort-002-515-776 |
0.80 |
C[C@H]1[C@@H]2[C@@H](O)C[C@@H](O)[C@@]2(C)[C@H](OC(C)=O)[C@H]2[C@@H](OC(=O)C2=C)[C@@H]1O
|
|
| MolPort-006-822-624 |
0.79 |
C=C1CC[C@@H]2[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CCC2=C
|
|
| MolPort-019-992-810 |
0.79 |
C=C1CCC2C1C1OC(=O)C(=C)C1CCC2=C
|
|
| MolPort-021-804-707 |
0.79 |
COC(=O)C(=C)C1C(O)C(C(=C)CO)C(C)(CC1OC(=O)C(\CO)=C/COC(C)=O)C=C
|
|
| MolPort-027-853-725 |
0.79 |
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
|
|
| MCULE-6609866523 |
0.79 |
[C@@H]12[C@]3([H])C(=C)CC[C@@]3([H])C(CC[C@H]1C(C(=O)O2)=C)=C
|
|
| MCULE-3657815830 |
0.79 |
[C@@H]12[C@@]3([H])C(=C)CC[C@@]3([H])C(CC[C@H]1C(C(=O)O2)=C)=C
|
|
| MCULE-1084105274 |
0.79 |
O1C(C(=C)[C@H]2CCC(=C)[C@H]3CCC(=C)[C@H]3[C@H]12)=O
|
|
| MCULE-2410723097 |
0.79 |
[C@]12([H])C(=C)CC[C@@]1([H])C(=C)CC[C@@]1([H])C(C(=O)O[C@]21[H])=C
|
|
| MCULE-8523582209 |
0.79 |
C=CC1(C)CC(OC(=O)/C(=C\COC(=O)C)/CO)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
|
|
| MCULE-7007682454 |
0.79 |
[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-3712584936 |
0.79 |
C12C(CC(=C(CCCOC(C)=O)C(C)C1O)C)OC(=O)C2=C
|
|
| MCULE-3481914833 |
0.79 |
CC(=O)OCCCC1[C@@H](C)[C@@H](O)[C@@]2(C(C(=O)O[C@]2([H])CC=1C)=C)[H]
|
|
| MolPort-010-969-189 |
0.79 |
CC1C(O)C2C(CC(C)=C1CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-039-338-150 |
0.79 |
CO[C@@]12CC[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]3[C@@H](C[C@@H]1C)OC(=O)C3=C)O2
|
|
| MolPort-002-535-603 |
0.78 |
CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)C(=C)C12
|
|
| MolPort-010-969-195 |
0.78 |
CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-023-274-351 |
0.78 |
CC1=CC[C@]23O[C@@]2(C)CC[C@@H]2[C@H](OC(=O)C2=C)[C@@H]13
|
|
| MCULE-8746775494 |
0.78 |
[C@@H]12C3C(C)=CCC3[C@](C[C@H](OC(C)=O)C1C(C(=O)O2)=C)(C)O
|
|
| MCULE-9408406006 |
0.78 |
[C@]123CC=C(C)[C@]1([H])[C@@H]1[C@@H](CC[C@@]2(O3)C)C(C(=O)O1)=C
|
|
| MCULE-4340391803 |
0.78 |
CC1[C@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@]3(C)O[C@]23CC=1
|
|
| MCULE-2320096475 |
0.78 |
C12C3C(C)=CCC3C(CC(OC(C)=O)C1C(C(=O)O2)=C)(C)O
|
|
| MCULE-9672207738 |
0.78 |
O1[C@]2([H])[C@@]3([H])C(C)=CC[C@@]43O[C@]4(C)CC[C@@]2([H])C(=C)C1=O
|
|
| MCULE-7361304189 |
0.78 |
[C@]123CC=C(C)[C@]1([H])[C@@H]1[C@@H](CC[C@@]2(O3)C)C(C(=O)O1)=C
|
|
| MolPort-035-668-921 |
0.77 |
C[C@@H]1CCC2C(=C)C(=O)OC22[C@@H]3O[C@]3(C)CC[C@@H]12
|
|
| MolPort-002-507-302 |
0.77 |
C[C@@H]1CC[C@H]2C(=C)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12
|
|
| MolPort-023-274-354 |
0.77 |
CC(=O)CCC[C@]1(C)C[C@H]2OC(=O)C(=C)[C@H]2CC1=O
|
|
| MCULE-3568270570 |
0.77 |
C12C(O1)(C)CCC1([H])C(C)CCC3C(C(=O)OC231)=C
|
|
| MCULE-1483617312 |
0.77 |
[C@H]12[C@@](O1)(C)CC[C@@]1([H])[C@H](C)CC[C@H]3C(C(=O)O[C@@]231)=C
|
|
| MCULE-4238406488 |
0.77 |
C1C[C@@]2([C@@]3([C@@H](CC[C@H]2C)C(=C)C(=O)O3)[C@@H]2O[C@]12C)[H]
|
|
| MCULE-2046245375 |
0.77 |
C1(=O)O[C@H]2[C@H](CC([C@](C)(CCCC(C)=O)C2)=O)C1=C
|
|
| MCULE-2755410519 |
0.77 |
C12(O)C(=C)CCC(O)C1(C)CCC1C(C(=O)OC21)C
|
|
| MCULE-6061453971 |
0.77 |
C1C[C@]2([C@]3([H])[C@@H](OC(=O)C)C[C@@]4(O)C(C([C@@]3(C4)[C@H](O)C[C@]2([H])[C@@](COC(=O)C)(C)C1)=O)=C)C
|
|
| MCULE-3423268424 |
0.77 |
C1CC(C)=CC(O)C2C(=C)C(=O)OC2CC(=C)C1O
|
|
| MCULE-3420584861 |
0.77 |
[C@@H]12OC1(C)C[C@@H](OC(=O)C)[C@H]1C(=C)C(=O)O[C@@H]1[C@@H]1O[C@]1(C)CC2
|
|
| MolPort-035-705-881 |
0.77 |
CC(=O)O[C@H]1C[C@@H]2[C@]3([C@H](O)[C@@H]1C(=C)C3=O)[C@H](O)C[C@@H]1C(C)(C)CC[C@H](O)[C@@]21C
|
|
| MolPort-035-705-878 |
0.77 |
CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](O)[C@@]13C[C@@](O)(C[C@H](OC(C)=O)[C@@H]21)C(=C)C3=O
|
|
| MolPort-044-179-483 |
0.77 |
C[C@H]1C2CC[C@@]3(C)[C@H](O)CCC(=C)[C@]3(O)[C@H]2OC1=O
|
|
| MolPort-007-549-135 |
0.77 |
CC1C2CCC3(C)C(O)CCC(=C)C3(O)C2OC1=O
|
|
| MolPort-044-723-209 |
0.77 |
CC(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-046-158-472 |
0.77 |
C\C=C(\C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)C[C@]3([C@H](OC(C)=O)[C@@H]12)C(=C)COC3=O
|
|
| MolPort-039-052-446 |
0.77 |
CC(=O)O[C@@H]1C[C@]2(C)O[C@H]2CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-021-804-724 |
0.77 |
C\C1=C/C(O)C2C(CC(=C)C(O)CC1)OC(=O)C2=C
|
|
| MolPort-039-052-444 |
0.76 |
CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@H]2O)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-044-559-903 |
0.76 |
CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MCULE-7361919999 |
0.76 |
O1C(=O)C(=C)[C@]2([H])CCC(C)=C3[C@@]([H])([C@@]12[H])[C@@](O)(C)CC3
|
|
| MCULE-2901288503 |
0.76 |
C1(=O)C(=C)[C@]2([H])CCC(C)=C3CC[C@@](C)(O)[C@]3([H])[C@@]2([H])O1
|
|
| MCULE-8209146843 |
0.76 |
[C@@H]1(O)C[C@]2(C)C[C@@]3([H])OC(=O)[C@@H](C)[C@@]3([H])C[C@@]2([H])C(=C)C1
|
|
| MCULE-3993197405 |
0.76 |
[C@@]12(C)C(=O)CC[C@@]1([H])[C@H](C)C[C@H]1[C@H](C2)C(=C)C(O1)=O
|
|
| MolPort-035-706-562 |
0.76 |
C[C@H]1[C@H]2C[C@H]3C(=C)C[C@H](O)C[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-001-742-423 |
0.76 |
C[C@@H]1C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@]2(C)[C@H]1CCC2=O
|
|
| MolPort-042-675-451 |
0.75 |
CC(C)C1CCC2(O)COC(=O)C2C1C(O)C(=C)C(O)=O
|
|
| MCULE-5323981543 |
0.75 |
C1C2(O)COC(=O)C2C(C(O)C(=C)C(=O)O)C(C(C)C)C1
|
|
| MCULE-5711398890 |
0.75 |
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-6204160184 |
0.75 |
[C@]12(C)C[C@H](C(C(=O)O)=C)[C@H]3O[C@@]1([C@@H](C)C3)CC[C@@H]2O
|
|
| MCULE-7689957843 |
0.75 |
C=CC1(C)CC(O)C(C(=C)C(=O)OC)C(O)C1C(=C)CO
|
|
| MolPort-001-740-303 |
0.75 |
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-027-853-727 |
0.75 |
C[C@H]1C[C@@H]2O[C@]11CC[C@H](O)[C@@]1(C)C[C@@H]2C(=C)C(O)=O
|
|
| MolPort-006-668-662 |
0.75 |
COC(=O)C(=C)C1C(O)CC(C)(C=C)C(C1O)C(=C)CO
|
|
| MolPort-044-561-384 |
0.74 |
C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O
|
|
| MolPort-035-706-215 |
0.74 |
CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
|
|
| MolPort-005-945-167 |
0.74 |
CC1=CCC(O)C2(C)CCC3C(OC(=O)C3=C)C12
|
|
| MolPort-046-761-510 |
0.74 |
CC12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@](O)(CC[C@H]4[C@@]3(CC[C@@H]1O)OC2=O)C(=C)C5O
|
|
| MolPort-005-944-892 |
0.74 |
C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)C(C)(O)C1CCC(O)=O
|
|
| MolPort-035-706-212 |
0.74 |
CC12CC[C@@H]3[C@H](OC(=O)C3(C)C)C(=C)CCC1O2
|
|
| MolPort-002-524-576 |
0.74 |
CC(=C)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MCULE-3293161796 |
0.74 |
[C@@]12(C)C(=O)C=C[C@@]1([H])[C@H](C)C[C@@]1([H])OC(=O)C(=C)[C@@]1([H])[C@@H]2O
|
|
| MCULE-1028193763 |
0.74 |
C1C(O)C2(C(C3C(CC2)C(=C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-3521793580 |
0.74 |
C1[C@@H](O)[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
|
|
| MCULE-6035868105 |
0.74 |
[C@H]1(C(C(O)(C)[C@@H]2OC(C([C@@H]2CC1)=C)=O)CCC(O)=O)C
|
|
| MCULE-3998592213 |
0.74 |
C123CCC(O)C(C(=O)O1)(C)C2([H])C(C12CC(C(C1)(O)CCC23[H])=C)C(=O)O
|
|
| MCULE-5398302587 |
0.74 |
[C@]12([H])[C@](CCl)(O)[C@H](C[C@@]1([H])C(=C)C[C@H](OC(=O)C(C)=C)[C@H]1C(C(=O)O[C@H]21)=C)O
|
|
| MCULE-5833637266 |
0.74 |
C(OC1C2CC3C(C2)C1C(=O)O3)(=O)C=C
|
|
| MCULE-8011378409 |
0.74 |
C1C[C@]2([C@]3([H])[C@@H](OC(=O)C)C[C@@]4(O)C(C([C@@]3(C4)CC[C@]2([H])[C@@](CO)(C)C1)=O)=C)C
|
|
| MCULE-2503470402 |
0.74 |
C1C[C@]2([H])C[C@]3(C(=C)COC3=O)C[C@]2(C)[C@@H](C)C1
|
|
| MolPort-035-705-877 |
0.74 |
CC(=O)O[C@H]1C[C@]2(O)C[C@@]3(CC[C@@H]4[C@](C)(CO)CCC[C@@]4(C)[C@H]13)C(=O)C2=C
|
|
| MolPort-028-600-138 |
0.74 |
C[C@H]1CCC[C@@H]2C[C@@]3(C[C@]12C)C(=C)COC3=O
|
|
| MolPort-019-937-225 |
0.73 |
CCC(C)CC(=O)OC1CC(CC2C(=C)CCCC12C)C(=C)C(O)=O
|
|
| MolPort-046-761-512 |
0.73 |
C[C@]12[C@H]3[C@H](C(O)=O)[C@@]45C[C@@H](CC[C@H]4[C@@]3(C[C@H](O)[C@@H]1O)OC2=O)C(=C)C5
|
|
| MolPort-038-386-039 |
0.73 |
C[C@@]12CCC[C@]3(CO)[C@H]1[C@@H](OC3=O)[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3
|
|
| MolPort-006-668-351 |
0.73 |
CC1=C2C3OC(=O)C(=C)C3C(O)CC2(C)CCC1
|
|
| MCULE-7605717253 |
0.73 |
C1CC2(C)C(CC(CC2OC(CC(C)CC)=O)C(C(=O)O)=C)C(C1)=C
|
|
| MCULE-5500763468 |
0.73 |
C1C[C@@]2(C)[C@]3([H])CC[C@H]4C(=C)C[C@@]3(C4)[C@@H](O)[C@@H]3OC(=O)[C@@](CO)([C@]23[H])C1
|
|
| MCULE-6400529160 |
0.73 |
C1CC(=C)C2C(C3C1C(O)(COC(=O)C)C(=O)O3)C(C(O)C2)=C
|
|
| MCULE-7238325614 |
0.73 |
C1C[C@@]23[C@]([C@]([C@H]1O)(C)C(=O)O2)([H])[C@H](C(=O)O)[C@@]12CC(=C)[C@@]([H])(C1)CC[C@@]32[H]
|
|
| MolPort-001-740-677 |
0.73 |
CC(=O)OCC1(O)C2CCC(=C)C3CC(O)C(=C)C3C2OC1=O
|
|
| MolPort-039-338-326 |
0.73 |
C\C=C(\C)C(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@H](CC[C@@]23O)C(=C)C4)[C@]1(C)C(O)=O
|
|
| MolPort-005-944-878 |
0.73 |
C\C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)C(C)[C@@H]12
|
|
| MolPort-009-680-182 |
0.72 |
CC(=C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2
|
|
| MolPort-038-386-575 |
0.72 |
C[C@@H]1C2C(=O)O[C@@H]3[C@H](O)C4C(=C)C[C@H](O)[C@@H](O)[C@]4(C)C([C@@H](O)[C@@H]1O)[C@]23C
|
|
| MolPort-035-706-204 |
0.72 |
C[C@@H]1[C@@H]2CC[C@@H](C)[C@@H]3CCC(=C)[C@@H](O)[C@@]23OC1=O
|
|
| MolPort-046-790-345 |
0.72 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)[C@H](O)CC1)OC(=O)C3=C
|
|
| MCULE-4425376968 |
0.72 |
CC(=C)C(=O)OC12CC3CC(CC(C3)C1)(O)C2
|
|
| MCULE-4671071406 |
0.72 |
C1C[C@@]2([H])[C@H](C)CC[C@@]3([H])[C@@H](C)C(=O)O[C@@]23[C@H](O)C1=C
|
|
| MCULE-1950814728 |
0.72 |
C1[C@@H](O)C2[C@@H](C)[C@@]3([H])OC(=O)C(=C)[C@@]3([H])CC2=C(C)C1
|
|
| MCULE-7864191553 |
0.72 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](O)C([C@@H](C)CCCOC(=O)C)=C(C)C2
|
|
| MCULE-4115143726 |
0.72 |
O[C@@H]1C(=C(C)C[C@@]2([H])OC(=O)C(=C)[C@@]12[H])[C@@H](C)CCCO
|
|
| MCULE-2203626367 |
0.72 |
C1(C)CC2OC(=O)C(=C)C2C(O)C=1C(C)CCCO
|
|
| MCULE-9485946749 |
0.72 |
C1(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC2C(C)=C1
|
|
| MolPort-046-158-516 |
0.72 |
C[C@@H](CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
|
|
| MolPort-029-943-098 |
0.72 |
CC(CCCO)C1=C(C)CC2OC(=O)C(=C)C2C1O
|
|
| MolPort-044-754-102 |
0.72 |
CC(CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-029-943-083 |
0.72 |
C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
|
|
| MolPort-039-338-340 |
0.72 |
CC(CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-046-790-483 |
0.72 |
C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-021-804-540 |
0.72 |
CC1=CC(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC12
|
|
| MolPort-039-338-812 |
0.71 |
CC(=O)OC[C@@H]1C(C)(C)CC[C@H](OC(C)=O)[C@]11COC(=O)[C@@]23C[C@H](C[C@H](O)[C@@H]12)C(=C)C3=O
|
|
| MolPort-039-338-381 |
0.71 |
CC(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@](O)(C[C@H]2OC(C)=O)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-039-338-770 |
0.71 |
CC(=O)O[C@H]1CCC(C)(C)[C@@H](CO)[C@@]11COC(=O)[C@@]23C[C@@H](C[C@H](O)[C@@H]12)C(=C)C3=O
|
|
| MolPort-009-684-169 |
0.71 |
C\C1=C\CCC2(C)OC2C2OC(=O)C(=C)C2CC1
|
|
| MolPort-016-633-336 |
0.71 |
CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-002-527-396 |
0.71 |
C\C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-001-740-222 |
0.71 |
C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-003-959-089 |
0.71 |
CC1=CCC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-046-761-513 |
0.71 |
C[C@]12[C@H]3O[C@H]3C[C@@]3(OC1=O)[C@@H]1CC[C@]4(O)C[C@]1(CC4=C)[C@H]([C@H]23)C(O)=O
|
|
| MolPort-046-033-497 |
0.71 |
C\C1=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-008-268-168 |
0.71 |
C\C1=C/CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-002-524-245 |
0.71 |
C[C@H]1[C@@H]2CC[C@@]3(C)O[C@]33CC=C(C)C3[C@H]2OC1=O
|
|
| MCULE-5648274394 |
0.71 |
CC1CCC2C(C(OC2C2OC2(C)CCC=1)=O)=C
|
|
| MCULE-4774272300 |
0.71 |
[C@@H]12[C@@H]3[C@@H](CCC(=CCC[C@]1(O2)C)C)C(C(=O)O3)=C
|
|
| MCULE-7405855960 |
0.71 |
O=C1C(=C)[C@@]2(CCC(=CCC[C@]3(O[C@]3([H])[C@@]2([H])O1)C)C)[H]
|
|
| MCULE-1187896247 |
0.71 |
[C@H]12[C@@H]3[C@@H](CCC(=CCC[C@]1(O2)C)C)C(C(=O)O3)=C
|
|
| MCULE-6512230417 |
0.71 |
[C@]12([H])O[C@]1(C)CCC=C(C)CC[C@@]1([H])C(C(=O)O[C@]21[H])=C
|
|
| MCULE-3930398727 |
0.71 |
C1C=C(C)CC[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2O[C@@]2(C1)C
|
|
| MCULE-4112378800 |
0.71 |
[C@@]123CC=C(C)C1[C@@H]1[C@@H](CC[C@]2(O3)C)[C@@H](C(=O)O1)C
|
|
| MCULE-4840887999 |
0.71 |
C1(=O)C([C@@]2([C@@](C)(CC1)[C@@]1(CC[C@@H]3[C@@H](OC(=O)C)[C@]1(C(=O)C3=C)[C@H](O)C2)[H])[H])(C)C
|
|
| MCULE-5144586536 |
0.71 |
[C@@]12([H])C[C@H](O)C(C)(C)[C@@]1(O)[C@H](O)C[C@]13C[C@@](C)(O)[C@@]([H])(CC[C@@]1([H])C2=C)[C@H]3OC(=O)C
|
|
| MCULE-7490014751 |
0.71 |
CC1([C@@H]2[C@@H]([C@@H]([C@@]3([C@@](O)([C@@]2(C)[C@@H](O)CC1)C(=O)C[C@@](C=C)(C)O3)C)O)OC(=O)C)C
|
|
| MCULE-9205086713 |
0.71 |
C1C(O)C2(C)CCC(C(=C)C(=O)OC)C(O)C2C(=C)C1
|
|
| MCULE-5939300673 |
0.71 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])C[C@H]1OC(=O)C(=C)[C@@H]21
|
|
| MCULE-5004121327 |
0.71 |
[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
|
|
| MolPort-046-418-682 |
0.71 |
CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1([C@H](O)C[C@@H]1C(C)(C)C(=O)CC[C@@]31C)C(=O)C2=C
|
|
| MolPort-046-426-929 |
0.71 |
CC(=O)OC1C2CCC3C1(C(O)CC1C(C)(C)C(=O)CCC31C)C(=O)C2=C
|
|
| MolPort-003-940-355 |
0.71 |
CC(=O)O[C@@H]1[C@H](O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
|
|
| MolPort-019-937-284 |
0.71 |
COC(=O)C(=C)C1CCC2(C)C(O)CCC(=C)C2C1O
|
|
| MolPort-035-706-340 |
0.71 |
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-035-706-337 |
0.71 |
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-039-338-774 |
0.70 |
CC(=O)OC[C@H]1C(C)(C)CC[C@@H](OC(C)=O)[C@@]11COC(=O)[C@]23CC(C[C@@H](OC(C)=O)[C@H]12)C(=C)C3=O
|
|
| MolPort-039-338-691 |
0.70 |
CC(=O)O[C@H]1CCC(C)(C)[C@@H](C=O)[C@@]11COC(=O)[C@@]23C[C@@H](C[C@H](O)[C@@H]12)C(=C)C3=O
|
|
| MolPort-019-937-565 |
0.70 |
CC(=C)C(O)CCC(C)(O)C1(O)CCC2(C)C1C(CC1C3(C)CCC(OC(=O)CC(O)=O)C(C)(C)C3CCC21C)OC(C)=O
|
|
| MolPort-039-338-813 |
0.70 |
CC(=O)O[C@H]1CCC(C)(C)[C@@H](CO)[C@@]11COC(=O)[C@@]23C[C@H](CC[C@@H]12)C(=C)C3=O
|
|
| MolPort-019-937-534 |
0.70 |
COC(=O)C(=C)C1C(O)CC2(C)C(C1O)C(O)(CO)CCC2=O
|
|
| MolPort-046-761-005 |
0.70 |
CCCCCCCCCCCCCCCC(O)CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(C)CC[C@@]32C)C(C)=C)C1(C)C
|
|
| MCULE-4587387143 |
0.70 |
C1(C)[C@]2([H])[C@@]3([H])OC(=O)C(=C)[C@]3([H])CCC(C)=C2CC1
|
|
| MCULE-3117365017 |
0.70 |
CC1[C@@H]2[C@H]3OC(=O)[C@]4([C@@]5(C)[C@H]6[C@@H]7OC(=O)C(=C)[C@@H]7CC[C@](O)(C)[C@@]6(C=C5)C4)[C@@H]3[C@@H](OC(C)=O)C[C@](O)(C)[C@@H]2CC=1
|
|
| MCULE-7148843716 |
0.70 |
C1C(=O)C2(C)CC(O)C(C(=C)C(=O)OC)C(O)C2C(O)(CO)C1
|
|
| MCULE-1873003390 |
0.70 |
C12(CC34C(C5C(CCC3(C)O)C(C(=O)O5)=C)C1(C)C=C4)C(=O)OC1C3C(C)=CCC3C(C)(O)CC(OC(C)=O)C21
|
|
| MCULE-1159348886 |
0.70 |
C1=C(C)C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-4558102565 |
0.70 |
O(C1C(=C)CC(=O)C2OC2(C)CC2OC(=O)C(=C)C2C1O)C(/C(/C)=C\C)=O
|
|
| MolPort-046-158-474 |
0.70 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C1
|
|
| MolPort-039-338-614 |
0.70 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C1
|
|
| MolPort-021-804-824 |
0.70 |
C\C1=C/C2OC(=O)C(=C)C2C(O)C\C(CO)=C\CC1
|
|
| MolPort-039-338-272 |
0.70 |
C\C=C(/C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@@H]2[C@]1(C)C(O)=O
|
|
| MolPort-039-338-271 |
0.70 |
C\C=C(\C)C(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(CC4=C)CC[C@@H]2[C@]1(C)C(O)=O
|
|
| MolPort-029-942-982 |
0.70 |
C\C=C(\C)C(=O)OC1C(O)C2C(CC3(C)OC3C(=O)CC1=C)OC(=O)C2=C
|
|
| MolPort-039-052-476 |
0.69 |
CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H](CC[C@@]23C)[C@]2(C)CCC(=O)O2)[C@@]1(C)CCC(O)=O
|
|
| MolPort-035-706-353 |
0.69 |
CC(=C)[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]21C)C(C)=C
|
|
| MolPort-006-170-151 |
0.69 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
|
|
| MolPort-000-803-190 |
0.69 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
|
|
| MolPort-021-804-541 |
0.69 |
CC(=O)OC1C(O)C=C(C)C2CC3C(CC12C)OC(=O)C3=C
|
|
| MolPort-001-741-114 |
0.69 |
C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=C)[C@@H](OC(C)=O)[C@@](C)(O)C(=O)[C@H]2O[C@@H]12
|
|
| MolPort-001-742-441 |
0.69 |
C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H](OC(=O)C(\COC(=O)C(\C)=C\CO)=C\CO)C1[C@@H]2OC(=O)C1=C
|
|
| MolPort-001-741-116 |
0.69 |
C[C@@H]1C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=C)[C@@H](OC(=O)C(C)=C)[C@@](C)(O)C(=O)[C@H]2O[C@@H]12
|
|
| MCULE-1245334026 |
0.69 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@@]3([C@@]([H])([C@@]4(CCC(=O)O4)C)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C)[H]
|
|
| MCULE-1605621815 |
0.69 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@@H](C(=C)C)O4)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C
|
|
| MCULE-3066550157 |
0.69 |
[C@@]12(C)CC[C@@]3(C([C@H](C(C)=C)CC3)[C@@]1([H])CCC1[C@@]2(C)CCC2[C@]1(C)CC[C@H](OC(CCC(O)=O)=O)C2(C)C)C(O)=O
|
|
| MCULE-8373483440 |
0.69 |
CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2([C@]([C@@]4([C@](CC2)(C(=O)O)CC[C@H]4C(=C)C)[H])([H])CC3)C)[H])(C)CC[C@@H]1OC(=O)CC(C)(C(=O)O)C)C
|
|
| MCULE-3483169056 |
0.69 |
[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-3122157928 |
0.69 |
[C@H]1(C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H]([C@@H](OC(C)=O)[C@](C)(C([C@H]2O[C@@H]12)=O)O)OC(=O)C(=C)C)C
|
|
| MCULE-8356623115 |
0.69 |
[C@H]1(C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=C)[C@H]([C@@](C([C@H]2O[C@@H]12)=O)(C)O)OC(C(=C)C)=O)C
|
|
| MCULE-1480212854 |
0.69 |
C123C(O)C(O)C(C(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O)O
|
|
| MCULE-7448178395 |
0.69 |
[C@H]12C(CCC(C)=C3CCC(C)(O)C13)C(C(=O)O2)C
|
|
| MCULE-3017570989 |
0.69 |
OC12CC3(OC(C=C)=O)CC(CC(C3)C1)C2
|
|
| MCULE-8156526968 |
0.69 |
C(=O)(OC1CC(C)CCC1C(C)C)C(=C)CC(O)=O
|
|
| MCULE-1566350070 |
0.69 |
C1=C(C)C[C@@H](O)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)C[C@@H]1O
|
|
| MCULE-8728198723 |
0.69 |
C12[C@@](CCl)(O)[C@@H](CC1C(=C)C[C@@H](OC(=O)C(C)(CCl)O)C1C(C(=O)O[C@H]21)=C)O
|
|
| MCULE-9728345441 |
0.69 |
C1=C(C)C[C@@H](OC(=O)C)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2O[C@]2(C)CC1
|
|
| MCULE-1356077791 |
0.69 |
[C@H]12OC(=O)C([C@@H]1[C@@H](OC(/C(/C)=C/CO)=O)CC(=C)[C@]1([H])C=C[C@](O)(C)[C@@]12[H])=C
|
|
| MolPort-038-386-083 |
0.69 |
CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)C(O)C2O)C(=C)C5
|
|
| MolPort-009-680-176 |
0.69 |
OC12CC3CC(C1)CC(C3)(C2)OC(=O)C=C
|
|
| MolPort-001-740-925 |
0.69 |
CC(=O)O[C@H]1C(=C)C2C[C@@]11CCC3[C@@](C)(CCC[C@@]3(C)C(O)=O)C1CC2
|
|
| MolPort-044-755-265 |
0.69 |
CC(=O)O[C@@H]1C(=C)[C@H]2C[C@@]11CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(O)=O)[C@@H]1CC2
|
|
| MolPort-045-901-673 |
0.69 |
CC(C)C1CCC(C)CC1OC(=O)C(=C)CC(O)=O
|
|
| MolPort-039-338-255 |
0.69 |
C[C@]12CCC[C@]3(OC1=O)[C@@H]2CC[C@@]12C[C@H](CC[C@]31C)C(=C)C2
|
|
| MolPort-020-005-698 |
0.69 |
C\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C)=C\[C@@H](O)C1
|
|
| MolPort-039-052-438 |
0.69 |
CC(=O)O[C@@H]1C\C(C)=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-002-526-004 |
0.69 |
CC(O)(CCl)C(=O)O[C@H]1CC(=C)[C@@H]2C[C@H](O)[C@](O)(CCl)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-002-516-796 |
0.69 |
CC(O)(CCl)C(=O)O[C@@H]1CC(=C)C2C[C@@H](O)[C@@](O)(CCl)C2[C@H]2OC(=O)C(=C)C12
|
|
| MolPort-039-339-222 |
0.69 |
C\C(=C/CO)C(=O)O[C@H]1CC(=C)[C@@H]2C=C[C@@](C)(O)[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-035-705-879 |
0.69 |
CC(=O)O[C@H]1C[C@@H]2C(C)(C)[C@H](C[C@H](OC(C)=O)[C@@]2(C)[C@@H]2[C@@H](OC(C)=O)[C@H](O)[C@@H]3C[C@]12C(=O)C3=C)OC(C)=O
|
|
| MolPort-039-338-357 |
0.68 |
CC(=C)[C@@H]1[C@@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]1(C)[C@@H]2O
|
|
| MolPort-039-338-615 |
0.68 |
C[C@H]1CC[C@@H](O)[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
|
|
| MolPort-027-853-630 |
0.68 |
CC(CCOC(=O)CCC(O)=O)CCC1C(=C)CCC2C(C)(C)CC(O)CC12C
|
|
| MolPort-003-930-593 |
0.68 |
OC[C@H]1[C@H](O)C[C@@H]2OC(=O)C[C@H]12
|
|
| MolPort-003-933-312 |
0.68 |
OC[C@@H]1[C@@H](O)C[C@H]2OC(=O)C[C@@H]12
|
|
| MolPort-045-901-210 |
0.68 |
CC1CC2(C)CC(C1C(=O)OCC=C)C(=O)O2
|
|
| MolPort-039-136-574 |
0.68 |
OC(=O)C12CCC(CC1)(OC2)C=C
|
|
| MolPort-046-697-222 |
0.68 |
CC1CCC(O)C(O)C11C(O)C(=C)OC1=O
|
|
| MolPort-001-740-745 |
0.68 |
CC1CC2OC(=O)C(=C)C2CC=C1CCC(C)=O
|
|
| MolPort-006-168-487 |
0.68 |
CC(=O)OC1C(O)C2C(C)(C)CCC(O)C2(C)C2(O)C(=O)CC(C)(OC12C)C=C
|
|
| MolPort-046-762-527 |
0.68 |
CC(=O)O[C@H]1[C@@H](O)[C@@H]2C(C)(C)CC[C@@H](O)[C@]2(C)[C@]2(O)C(=O)CC(C)(O[C@]12C)C=C
|
|
| MolPort-003-983-766 |
0.68 |
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)C2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
|
|
| MolPort-027-720-856 |
0.68 |
C[C@H]1OC(=O)[C@@H](C)[C@H]1[C@H](O)C[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-493-717 |
0.68 |
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]2(O)C(=O)C[C@@](C)(O[C@]12C)C=C
|
|
| MCULE-4079562606 |
0.68 |
[C@]12(C)[C@@]3(CO3)[C@@H]3O[C@@H]3[C@@]1(O)[C@@H]1[C@H](C(C)=C)[C@H](OC1=O)[C@H]2O
|
|
| MCULE-6317774895 |
0.68 |
C(C)(=O)OC1CCC23C4CCC5(C)C(C6COC(C=6)=O)CCC5C4(CCC2(O)C1)OC3=O
|
|
| MCULE-3798887300 |
0.68 |
[C@]12(C)CCCC(C)(C)[C@]1([H])[C@H](CC(=C)[C@H]2CCC(C)(C=C)OC(C)=O)OC(C)=O
|
|
| MCULE-8406212111 |
0.68 |
O[C@H]1C[C@H]2OC(=O)C[C@H]2[C@@H]1CO
|
|
| MCULE-8191356703 |
0.68 |
OC[C@@H]1[C@@H]2[C@@H](OC(C2)=O)C[C@H]1O
|
|
| MCULE-2135976842 |
0.68 |
[C@H]12C[C@H]([C@H](CO)[C@H]1CC(=O)O2)O
|
|
| MCULE-2711629348 |
0.68 |
C12(OC(CC1([H])C(C(O)C2)CO)=O)[H]
|
|
| MCULE-2621799080 |
0.68 |
C1(O)CC2(C)C(CCC(C)CCOC(=O)CCC(=O)O)C(=C)CCC2C(C)(C)C1
|
|
| MCULE-5005045875 |
0.68 |
O1C(=O)C[C@@]2([H])[C@H](CO)[C@@H](O)C[C@@]12[H]
|
|
| MCULE-7960559996 |
0.68 |
C1(=O)OC2(CC1C(C(OCC=C)=O)C(C2)C)C
|
|
| MCULE-9975535341 |
0.68 |
C1(=O)OC2C(CC=C(CCC(=O)C)C(C2)C)C1=C
|
|
| MCULE-4110382383 |
0.68 |
C12(C(C)CCC(O)C1O)C(=O)OC(=C)C2O
|
|
| MCULE-1897312553 |
0.68 |
[C@@]12(C)[C@@H](OC(C)=O)[C@@H](O)[C@]3([H])[C@@](C)([C@@]1(O)C(=O)C[C@@](C=C)(C)O2)[C@@H](O)CCC3(C)C
|
|
| MCULE-2182684633 |
0.68 |
CC(OC1C2(C)C(C(CC(C=C)(O2)C)=O)(O)C2(C)C(C(CCC2O)(C)C)C1O)=O
|
|
| MCULE-7944691209 |
0.68 |
C1[C@H](O)[C@@]2([C@@]3(O)C(=O)C[C@@](C=C)(C)O[C@]3(C)[C@@H](OC(C)=O)[C@@H](O)[C@@]2([H])C(C)(C)C1)C
|
|
| MCULE-9744281698 |
0.68 |
[C@@]12(O)CC[C@H]([C@](O)(C)C[C@@H](O)[C@@]3([H])[C@@H](C)OC(=O)[C@H]3C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C[C@@H]([C@H](O)C[C@@]3([H])C(=O)C=C21)O
|
|
| MCULE-1564688046 |
0.68 |
O[C@@H]1C[C@@H]2OC(=O)C[C@@H]2[C@H]1/C=C/[C@@H](O)CCCCC
|
|
| MCULE-4463783872 |
0.68 |
[C@@]12(C)[C@@]3(OC(=O)C)CO[C@@H]1[C@H]1OC(=O)[C@@H]([C@@H]1C(C)=C)[C@]2(O)[C@H]1O[C@@H]31
|
|
| MCULE-9197885325 |
0.68 |
[C@]12(C)[C@@]3(CO3)[C@@H]3O[C@@H]3[C@@]1(O)[C@@H]1[C@H](C(C)=C)[C@H](OC1=O)[C@H]2OC(C)=O
|
|
| MCULE-4155630515 |
0.68 |
[C@@H]1([C@@]2([H])[C@](C)(C(OC(=O)C(=C)C)[C@@]3(C(=C)C(=O)O[C@@H]3C1)[H])C(C=C2)=O)C
|
|
| MCULE-6633387383 |
0.68 |
C1(CO)COC(=O)C1C(O)CCCC(C)C
|
|
| MCULE-1811747140 |
0.68 |
CCCCCC(O)C1C(CO)COC1=O
|
|
| MCULE-1215497093 |
0.68 |
[C@]1([H])([C@H](CCCC(C)C)O)[C@H](CO)COC1=O
|
|
| MCULE-3163186560 |
0.68 |
[C@@H]1([C@H](CCCCC)O)[C@H](CO)COC1=O
|
|
| MCULE-9582917027 |
0.68 |
C(OCC(CC)CCCC)(=O)C(CC(OCC(CC)CCCC)=O)=C
|
|
| MCULE-5378991050 |
0.68 |
C(C)(=O)OC1CCC23C4CCC5(C)C(CCC5C4(CCC2(O)C1)OC3=O)C(O)=O
|
|
| MCULE-9259214707 |
0.68 |
C1C[C@]2(C)[C@@]3([H])[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(=C)C[C@]64[H])CC[C@@]5(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
|
|
| MCULE-4831133913 |
0.68 |
C123C(O)CC(C(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O)O
|
|
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0.68 |
CC(=O)O[C@]12CO[C@@H]3[C@H]4OC(=O)[C@@H]([C@@H]4C(C)=C)[C@](O)([C@H]4O[C@@H]14)[C@]23C
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| MolPort-039-052-522 |
0.68 |
CC(=O)O[C@@H]1[C@H]2OC(=O)[C@@H]([C@@H]2C(C)=C)[C@]2(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]12C
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| MolPort-006-668-381 |
0.68 |
C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2C(OC(=O)C(C)=C)[C@@]2(C)[C@H]1C=CC2=O
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|
| MolPort-001-740-716 |
0.68 |
OC[C@H]1O[C@@H](O[C@H]2C[C@@H]3[C@@H]([C@H]4OC(=O)C(=C)[C@@H]4[C@H](O)CC3=C)C2=C)[C@H](O)[C@@H](O)[C@@H]1O
|
|
| MolPort-005-944-142 |
0.68 |
CC(C)CCC[C@H](O)[C@@H]1[C@H](CO)COC1=O
|
|
| MolPort-001-739-880 |
0.68 |
CCCCC[C@H](O)[C@@H]1[C@H](CO)COC1=O
|
|
| MolPort-019-931-873 |
0.68 |
CC(C)CCCC(O)C1C(CO)COC1=O
|
|
| MolPort-035-683-181 |
0.68 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(CO)CC[C@@]32C)C(C)=C)C1(C)C
|
|
| MolPort-039-101-184 |
0.68 |
CCCCCC(O)C1C(CO)COC1=O
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|
| MolPort-046-590-032 |
0.68 |
C=C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1
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|
| MolPort-038-386-084 |
0.68 |
CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)CC2O)C(=C)C5
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|
| MolPort-039-338-405 |
0.68 |
C[C@@]1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@@H]2O[C@@H]2[C@]23OC(=O)[C@@]4(CCC(=C)C[C@@H]24)CC[C@@]13C
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|
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CC(=C)C1CCC2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
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| MolPort-000-757-203 |
0.67 |
CC(=C)[C@@H]1CCC2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)C12
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|
| MolPort-000-762-143 |
0.67 |
CC(=C)C1CCC2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
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COC(=O)CCC(=O)OCC12CC[C@H](C1C1CCC3[C@@]4(C)CCC(OC(=O)CCC(=O)OC)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
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0.67 |
CC(=C)[C@@H]1CC[C@]2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)C12
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| MolPort-006-668-661 |
0.67 |
COC(=O)C(=C)C1C(O)CC2(C)C(O)CCC(=O)C2C1O
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|
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CC(=C)[C@@H]1CC[C@]2(COC(=O)CCC(O)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
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COC(=O)CCC(=O)OCC12CC[C@H](C1C1CCC3[C@@]4(C)CCC(OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
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CC(=C)[C@@H]1CCC2(COC(C)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
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| MolPort-023-274-288 |
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CC(O)CCC(O)CC1CCC(=O)O1
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CC(=C)C1CCC2(COC(=O)CCC([O-])=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC([O-])=O)C(C)(C)C5CC[C@@]34C)C12
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|
| MolPort-000-766-463 |
0.67 |
CC(=C)[C@@H]1CCC2(COC(=O)CCC(O)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C5CC[C@@]34C)C12
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0.67 |
COC(=O)CCC(=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2CCC2C4[C@@H](CCC4(COC(C)=O)CC[C@@]32C)C(C)=C)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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|
| MolPort-035-706-377 |
0.67 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@@H](CC[C@@]34C)C(C)(C)[C@@H](OC(C)=O)[C@@H]5C(O)=O)[C@@H]12)C(O)=O
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| MolPort-023-220-684 |
0.67 |
CC(=O)O[C@H]1C[C@@H]2C[C@@]3([C@@H](OC(C)=O)C(=O)[C@@H]4C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]4(C)[C@H]13)C(=O)C2=C
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CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O
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CC1CC(C\C(C)=C\C[C@H]2COC(=O)C2=C)OC1=O
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| MolPort-038-386-086 |
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CC1=CC(=O)OC(C)(CC(C)(O)C(O)=O)C1
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CS\C=C/C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)C[C@]3([C@H](OC(C)=O)[C@@H]12)C(=C)COC3=O
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CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@@H](O)[C@H]3[C@]22CO[C@@H](O)[C@H]12)C(=C)C4=O
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CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
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0.67 |
CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](C[C@H](O)[C@@H]3[C@]22CO[C@@H](O)[C@H]12)C(=C)C4=O
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CC1(C)CCC(O)C2(C)C1C(O)C(OC(=O)CCC(O)=O)C1(C)OC(C)(CC(=O)C21O)C=C
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0.67 |
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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|
| MCULE-8445888741 |
0.67 |
C1(CC(O)CCC(O)C)CCC(=O)O1
|
|
| MCULE-3739678215 |
0.67 |
C1C(O)C2(C)CC(O)C(C(=C)C(=O)OC)C(O)C2C(=O)C1
|
|
| MCULE-2425846667 |
0.67 |
C12C(C(=C)C)CCC1(COC(=O)CCC(=O)O)CCC1(C)C3(C)CCC4C(C)(C)C(CCC4(C)C3CCC21)OC(=O)CCC(=O)O
|
|
| MCULE-6752055358 |
0.67 |
[C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2[C@]1(C)CCC(OC(CCC(O)=O)=O)C2(C)C)COC(CCC(O)=O)=O
|
|
| MCULE-5987300664 |
0.67 |
C(C)(=O)OC1CCC23C4CCC5(C)C(CCC5C4(CCC2(O)C1)OC3)C(OCC)=O
|
|
| MCULE-2482956240 |
0.67 |
O1C(=O)C2C(O)C3CC1C2C3
|
|
| 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
|
|
| MCULE-9395429387 |
0.67 |
C1C(O)C2(C(C3C(CC2)C(C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-8750855908 |
0.67 |
C1[C@]([H])(C/C=C(\C)/CC2CC(C)C(=O)O2)C(C(O1)=O)=C
|
|
| MCULE-5563929213 |
0.67 |
C1=C(C)CC(C)(CC(O)(C)C(=O)O)OC1=O
|
|
| MCULE-1278081687 |
0.67 |
[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-7055938722 |
0.67 |
O=C1C23C4CCC5(C)C(C6COC(C=6)=O)CCC5(C4(CCC2(O)CC(O)CC3)O1)[H]
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|
| MCULE-5879866289 |
0.67 |
CC(CCC(=O)O[C@@H]1[C@@H]([C@]2(O[C@](C=C)(C)CC(=O)[C@]2(O)[C@]2(C)[C@@]1(C(CC[C@@H]2O)(C)C)[H])C)OC(=O)C)C
|
|
| MCULE-1848828110 |
0.67 |
C1[C@H](OC(=O)/C=C\SC)[C@]2([H])[C@@H](OC(=O)C)[C@]3(C(=C)COC3=O)C[C@]2(C)[C@@H](C)C1
|
|
| MCULE-1706413763 |
0.67 |
C(OCC1CCC2OC2C1)(=O)C(=C)C
|
|
| MCULE-2779552409 |
0.67 |
C1(C2(C)C(CC(OC(C)=O)C3(C4C(=O)OC(C)C(=O)C4(C)C(=C)CC23)C)C(OC(C1)=O)(C)C)O
|
|
| MCULE-4460966232 |
0.67 |
C(C)(=O)OC1CC(O)C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-1678442526 |
0.67 |
C1CC2(C)C3CC(C(O)(C=C)C)OC3(C)C(O)C(OC(C)=O)C2C(C)(C)C1
|
|
| MCULE-1442347162 |
0.67 |
[C@]12(C)COC(C[C@]1([H])CCC2=C)=O
|
|
| MCULE-1451397208 |
0.67 |
[C@@]12(C)[C@@]3(O)CO[C@@H]1[C@H]1OC(=O)[C@@H]([C@@H]1C(C)=C)[C@]2(O)[C@H]1O[C@@H]31
|
|
| MCULE-5065272092 |
0.67 |
C12(C)COC(CC1([H])CCC2=C)=O
|
|
| MCULE-1809509655 |
0.67 |
C(C)(=O)OC1CC(O)C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(O)=O)OC(C)=O
|
|
| MCULE-8877073560 |
0.67 |
C1C[C@]2(C)C3CC[C@]4([H])C5[C@H](C(C)=C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2[C@@](C)(C(=O)O)[C@@H]1OC(=O)C
|
|
| MCULE-5745499351 |
0.67 |
C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C(OC)=O
|
|
| MCULE-1536474229 |
0.67 |
O=C(C1CCCCCC=1)OCC1COCC1
|
|
| MolPort-028-746-891 |
0.67 |
CC(=C)C(=O)OCC1CCC2OC2C1
|
|
| MolPort-029-937-842 |
0.67 |
O=C(OCC1CCOC1)C1=CCCCCC1
|
|
| MolPort-038-386-705 |
0.67 |
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)(C5CC[C@@]34C)C(O)=O)C12
|
|
| MolPort-044-622-815 |
0.67 |
CC(=C)[C@@H]1OCC[C@@H]1C(O)=O
|
|
| MolPort-005-944-608 |
0.67 |
CC(=O)OC1CC2C(C=C1C)C(C(CC2(C)O)OC(=O)C(\CO)=C\CO)C(=C)C(O)=O
|
|
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0.67 |
CC(=O)OC1C(O)C2(C)OC(CC2C2(C)CCCC(C)(C)C12)C(C)(O)C=C
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|
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0.67 |
CC1OC(=O)C2C3(C)C(CC4C(C)(C3CC(=C)C2(C)C1=O)C(O)CC(=O)OC4(C)C)OC(C)=O
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|
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0.67 |
CC(=C)[C@@H]1[C@@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(O)CO[C@H]2[C@]13C
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|
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0.67 |
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@@H]2[C@@]2(C)[C@@H](O)CCC(C)(C)[C@H]12)C=C
|
|
| MolPort-039-139-007 |
0.67 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](O)[C@@H]1C\C=C/CCCC(=O)O2
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0.66 |
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
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|
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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-046-418-658 |
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CC1=CCC2=C(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
|
|
| MolPort-028-754-172 |
0.66 |
CC(=O)O[C@@H]1C(=C)[C@H]2C[C@]11[C@@H](CC2)[C@]23CO[C@H](CC2=O)C(C)(C)[C@H]3[C@H](O)C1=O
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| MolPort-046-764-837 |
0.66 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C(O)C2=CC(O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-003-941-087 |
0.66 |
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@H]2C(=O)C[C@@](C)(O[C@]12C)C=C
|
|
| MolPort-042-644-764 |
0.66 |
CC(=O)OCC12CCC(C1C1CCC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
|
|
| MolPort-007-980-738 |
0.66 |
CC1C2CCC3(C)C(C2OC1=O)C(C)(O)CCC3=O
|
|
| MolPort-002-524-287 |
0.66 |
CC(=O)OC[C@]12CC[C@H](C1[C@H]1CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
|
|
| MolPort-000-762-008 |
0.66 |
[Na+].[Na+].CC(=C)C1CCC2(COC(=O)CCC([O-])=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(=O)CCC([O-])=O)C(C)(C)C5CC[C@@]34C)C12
|
|
| MolPort-007-980-880 |
0.66 |
CC(=O)OCC12CC[C@H](C1C1CCC3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
|
|
| MCULE-3325335892 |
0.66 |
[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-2724365529 |
0.66 |
[C@]12(C)[C@H](OC(=O)/C=C(\C)/C(C)C)C[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3(O)[C@@]1(O)CC[C@]2(O)C(C)=O
|
|
| MCULE-2222797068 |
0.66 |
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-6732636598 |
0.66 |
[H]Cl.CC(CCC(=O)O[C@@H]1[C@@H]([C@]2(O[C@](C=C)(C)CC(=O)[C@]2(O)[C@]2(C)[C@@]1(C(CC[C@@H]2O)(C)C)[H])C)OC(=O)C)C
|
|
| MCULE-3429356119 |
0.66 |
CC1([C@H]2CC(=O)[C@]3(CO2)[C@@H]1[C@@H](C([C@]12[C@H](OC(=O)C)C(=C)[C@@H](CC[C@H]13)C2)=O)O)C
|
|
| MCULE-2907347364 |
0.66 |
CC(OC1C23C(C(O)C4C(C)(C)C5CC(=O)C4(CO5)C2CCC(C3)C1=C)=O)=O
|
|
| MCULE-5499340037 |
0.66 |
CC(=O)O[C@H]1[C@@]23C(=O)[C@@H](O)[C@]4([H])C(C)(C)[C@@]5([H])CC(=O)[C@@]4(CO5)[C@]2([H])CC[C@@]([H])(C1=C)C3
|
|
| MCULE-1339344349 |
0.66 |
C1(C)(C(O)CC(=O)OC)C2CC(=C)C3(C)C(=O)C(C)OC(=O)C3C2(C)C(OC(=O)C)CC1C(O)(C)C
|
|
| MCULE-2871410677 |
0.66 |
C(C)(=O)OC1CC(C2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)=O)OC(C)=O
|
|
| MCULE-8140752933 |
0.66 |
O=C1C23C4CCC5(C)C(CCC5C4(CCC2(O)CC(O)CC3)O1)C(O)=O
|
|
| MCULE-4562315733 |
0.66 |
[C@@]12(C)CCC3(C(C(CC3)C(C)=C)C1CCC1[C@@]2(C)CCC2[C@]1(C)CCC(OC(CCC(=O)[O-])=O)C2(C)C)COC(CCC(=O)[O-])=O.[Na+].[Na+]
|
|
| MCULE-6837878494 |
0.66 |
C12C(C(=C)C)CCC1(COC(=O)C)CCC1(C)C3(C)CCC4C(C)(C)C(CCC4(C)C3CCC21)=O
|
|
| MCULE-2831547614 |
0.66 |
C12C(CCC3(C)C(CCC(C)(O)C13)=O)C(C(=O)O2)C
|
|
| MCULE-1031631524 |
0.66 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](OC(=O)C(C)C)C([C@@H](C)CCCOC(=O)C)=C(C)C2
|
|
| MCULE-9998977190 |
0.66 |
[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-1089229934 |
0.66 |
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-1326219832 |
0.66 |
C(CCCOC(=O)C)(C)C1C(OC(=O)CC(C)CC)C2C(=C)C(=O)OC2CC=1C
|
|
| MCULE-6591915280 |
0.66 |
[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-9544967893 |
0.66 |
O=C1C=CC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-6414357750 |
0.66 |
[C@@H]1([C@@]2([H])[C@](C)([C@@H](OC(=O)C(=C)C)[C@@]3([C@H](C)C(=O)O[C@@H]3C1)[H])C(C=C2)=O)C
|
|
| MCULE-7793896949 |
0.66 |
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-5675720715 |
0.66 |
[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-8380731028 |
0.66 |
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-4804864002 |
0.66 |
[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-8954390569 |
0.66 |
C=C1C(=O)OC[C@]2(CCC[C@@]3(C[C@@H](O)[C@@H]1C=C23)C)[H]
|
|
| MCULE-9787588778 |
0.66 |
C([C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@@]1([H])CC[C@]3([H])[C@]4(CC[C@H](OC(=O)C)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2)C)(=O)OCC(N)(CO)CO
|
|
| MCULE-4276199774 |
0.66 |
CC([C@H]1[C@@H](C(O)=O)CCCO1)=C
|
|
| MCULE-9693864821 |
0.66 |
C(C)(=O)OC1CC(C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(O)=O)OC(C)=O)OC(C)=O
|
|
| MCULE-8269449734 |
0.66 |
[C@@]12([H])[C@@H](OC(=O)[C@H]1CO)C[C@H](C)[C@@]2([H])CO
|
|
| MCULE-4379167545 |
0.66 |
CC1(C2C(CCO2)C1OC(CCCC1CCCCC1)=O)C
|
|
| MCULE-5344665361 |
0.66 |
CCC1(C(OC(CCC2OCCC2)=O)CC1OC)CC
|
|
| MCULE-8338562644 |
0.66 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(CCC4(O)C3CCC2(C1)[H])C(OC)=O)OC(C)=O
|
|
| MCULE-2575838861 |
0.66 |
C(C)(=O)OC1CC(C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(OCC)=O)OC(C)=O)OC(C)=O
|
|
| MCULE-7087584399 |
0.66 |
C(OCCCCCCC)(CCCCCCCCC=C)=O
|
|
| MCULE-2024187649 |
0.66 |
[C@]12(C)CCC[C@](C)(C(O)=O)C1CCC(=C)[C@@H]2CCC(C)CCOC(C)=O
|
|
| MolPort-029-943-087 |
0.66 |
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-029-943-084 |
0.66 |
CC(C)C(=O)O[C@H]1[C@H]2[C@@H](CC(C)=C1[C@@H](C)CCCO)OC(=O)C2=C
|
|
| MolPort-029-943-086 |
0.66 |
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-039-338-537 |
0.66 |
C[C@H](CCCOC(C)=O)C1=C(C)CC2OC(=O)[C@]3(C[C@@]45C(OC(C)=O)[C@@H]3C(C)=C4C[C@H]3[C@H](C[C@@H]5C)OC(=O)C3=C)C2[C@@H]1O
|
|
| MolPort-039-338-617 |
0.66 |
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-029-943-088 |
0.66 |
CCC(C)CC(=O)OC1C2C(CC(C)=C1C(C)CCCOC(C)=O)OC(=O)C2=C
|
|
| MolPort-005-945-744 |
0.66 |
C[C@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2OC(=O)C(C)=C)OC1=O
|
|
| MolPort-007-549-417 |
0.66 |
CC12CC[C@H]3[C@@H](CCC4(O)CC(CCC34COC(=O)CCC(O)=O)OC(=O)CCC(O)=O)C1(O)CCC2C1=CC(=O)OC1
|
|
| MolPort-039-338-689 |
0.66 |
CC1(C)[C@H]2[C@H](O)OC[C@@]22[C@H](C[C@@H]1O)OC(=O)[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3=O
|
|
| MolPort-039-338-773 |
0.66 |
CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](CC[C@@H]3[C@]22CO[C@@H](O)[C@H]12)C(=C)C4=O
|
|
| MolPort-000-757-886 |
0.66 |
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-001-742-429 |
0.66 |
C[C@H]1C[C@H](O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
|
|
| MolPort-002-509-854 |
0.66 |
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-046-158-429 |
0.66 |
CC1(C)CC[C@@H]2OC(=O)[C@@]34C[C@@H](CC[C@H]3[C@]22CO[C@@H](O)[C@H]12)C(=C)C4=O
|
|
| MolPort-046-764-663 |
0.66 |
C[C@@]12[C@H]3[C@@H](C(O)=O)[C@@]45CC(=C)[C@@](O)(C4)CC[C@H]5[C@]3(OC1=O)[C@H]1O[C@H]1[C@@H]2O
|
|
| MolPort-039-052-513 |
0.66 |
CC(=O)O[C@@H]1C(=C)[C@@H]2C[C@@]11[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3C(C)(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]3(C)[C@@H]1[C@H](C2)OC(C)=O
|
|
| MolPort-046-417-660 |
0.66 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(=O)OCC(N)(CO)CO)C(C)=C)C1(C)C
|
|
| MolPort-046-674-907 |
0.66 |
CC(=C)[C@@H]1OCCC[C@H]1C(O)=O
|
|
| MolPort-039-241-440 |
0.66 |
CC(=C)[C@@H]1OCCC[C@@H]1C(O)=O
|
|
| MolPort-035-838-853 |
0.66 |
CC1(C)C(OC(=O)CCCC2CCCCC2)C2CCOC12
|
|
| MolPort-029-887-062 |
0.66 |
C[C@H]1C[C@@H]2OC(=O)[C@@H](CO)[C@@H]2[C@@H]1CO
|
|
| MolPort-027-910-876 |
0.66 |
CCC1(CC)C(CC1OC(=O)CCC1CCCO1)OC
|
|
| MolPort-001-742-533 |
0.66 |
CC(CCOC(C)=O)CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O
|
|
| MolPort-029-943-095 |
0.66 |
CC(CCC1C(=C)CCC2C(C)(COC(C)=O)CCCC12C)CC(O)=O
|
|
| MolPort-001-742-457 |
0.65 |
OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@H](O)C\C(C=O)=C/CC1
|
|
| MolPort-035-706-238 |
0.65 |
CC(=O)O[C@@H]1C\C(C)=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@H]12
|
|
| MolPort-001-742-458 |
0.65 |
OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](O)C\C(C=O)=C/CC1
|
|
| MolPort-019-937-562 |
0.65 |
CC(=O)OC1C\C(C)=C\CC\C(C)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-007-980-739 |
0.65 |
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-019-937-060 |
0.65 |
C[C@H]1[C@@H](O)[C@H](O)C2[C@@]3(C)[C@H](O)[C@@H](O)CC(C)=C3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23C
|
|
| MolPort-039-338-693 |
0.65 |
CC(=O)O[C@H]1CCC(C)(C)[C@H]2[C@H](O)[C@]3(O)OC[C@@]12[C@@H]1CC[C@@H]2[C@@H](O)[C@]31C(=O)C2=C
|
|
| MolPort-002-507-199 |
0.65 |
C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
|
|
| MolPort-044-179-830 |
0.65 |
C[C@H]1C2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@](C)(O)C=CC3=O
|
|
| MolPort-005-945-240 |
0.65 |
C[C@H]1[C@@H]2CC[C@]3(C)[C@@H]([C@H]2OC1=O)[C@@](C)(O)C=CC3=O
|
|
| MolPort-046-627-212 |
0.65 |
CCC(C)C(=O)OC1C\C(COC(C)=O)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
|
|
| MolPort-039-338-133 |
0.65 |
C[C@@]12CCC[C@@]3(OC1=O)[C@H]2CC(=O)[C@@H]1C[C@@](C)(CC[C@@]31C)C=C
|
|
| MolPort-003-801-803 |
0.65 |
CC12CCC(O1)C1COC(=O)C21C
|
|
| MolPort-003-801-801 |
0.65 |
CC12CCC(O1)C1(C)C2COC1=O
|
|
| MolPort-002-806-662 |
0.65 |
CC(=O)OCC12COC(=O)C1(C)C1CCC2O1
|
|
| MCULE-8149296543 |
0.65 |
C(C1OCC(O)C1O)(COC(CCCCCCCC=CCCCCCCCC)=O)(O)[H]
|
|
| MCULE-4603475177 |
0.65 |
C1C=C(C)CC(OC(=O)/C(/C)=C\C)C2C(=C)C(=O)OC2C2OC2(CO)C1
|
|
| MCULE-6013466834 |
0.65 |
C1(=O)C2CCC(CC2C(=C)O1)C
|
|
| MCULE-9707855350 |
0.65 |
[C@@]12([H])[C@H](CC(=CC(=O)[C@@]1(C)CC[C@@]2(O)C(C)C)C)OC(=O)C(C)=CC
|
|
| MCULE-4659340446 |
0.65 |
[C@@]12([H])[C@H](CC(=CC(=O)[C@@]1(C)CCC2(O)C(C)C)C)OC(=O)C(C)=CC
|
|
| MCULE-6312322049 |
0.65 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC3C2(C1)O3)=O
|
|
| MCULE-1895908355 |
0.65 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])[C@@H]2O[C@]12C
|
|
| MCULE-5022504225 |
0.65 |
C(C)(=O)OC1CC(C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(CO)=O)OC(C)=O)OC(C)=O
|
|
| MCULE-1870384671 |
0.65 |
C1(=O)C[C@@]2([C@@H](C)C(=O)O[C@]2([H])C[C@@]1(O)C)[H]
|
|
| MCULE-4249862277 |
0.65 |
[C@]123C[C@H](CC[C@]1(C)C1CC[C@]4(C(C[C@]5([C@]4(CCCC5)C(C)=O)[H])[C@@]1(C[C@@H]2O3)[H])C)OC(C)=O
|
|
| MCULE-1026870793 |
0.65 |
CCCCCCCCOC(CC(C(=O)O)=C)=O
|
|
| MCULE-6361669466 |
0.65 |
C123CC(CCC1(C)C1C(C4CC5C(C(=O)C)(CCCC5)C4(CC1)C)CC2O3)OC(=O)C
|
|
| MCULE-6212471740 |
0.65 |
[C@]123CC(CC[C@]1(C)C1CC[C@]4(C(CCC4=O)C1C[C@@H]2O3)C)OC(C)=O
|
|
| MCULE-1588246351 |
0.65 |
CC1(C2C(CCO2)C1OC(CC1C2CC(CC2)C1)=O)C
|
|
| MCULE-3167567746 |
0.65 |
C(=O)(CC(=C)C(=O)O)OCCCCCCCCCCCC
|
|
| MCULE-8617095272 |
0.65 |
C1(=O)O[C@H]2[C@@H]([C@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-6232978473 |
0.65 |
C1(=O)O[C@H]2[C@@H]([C@@H](O)CC(C=O)=CCCC(CO)=C2)C1=C
|
|
| MCULE-5937685751 |
0.65 |
[C@@]12([H])C[C@H]3C(C=C(C)[C@@]1([H])[C@H](C[C@@]2(C)O)OC(C)=O)OC(=O)C3=C
|
|
| MCULE-1338496475 |
0.65 |
C1=C(C)C[C@@H](OC(=O)C)[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC1
|
|
| MCULE-6504048226 |
0.65 |
C1C=C(C)CC(OC(=O)C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-2702437708 |
0.65 |
C12([H])CC3C(C=C(C)C1([H])C(CC2(C)O)OC(C)=O)OC(=O)C3=C
|
|
| MCULE-5455459863 |
0.65 |
[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@H](O)[C@H](C)[C@@]4(O)[C@]3(C)[C@H](OC(=O)[C@@H]4O)CC2=C(C)C1
|
|
| MCULE-9439093573 |
0.65 |
[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-7025819167 |
0.65 |
C12C(CCC3(C)C(C=CC(C)(O)C13[H])=O)C(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
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|
| MCULE-6663461828 |
0.65 |
C1C=C(COC(C)=O)CC(OC(=O)C(C)CC)C2C(=C)C(=O)OC2C=C(CO)C1
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| MCULE-6844552180 |
0.65 |
C12(C)C(=O)OCC1C1OC2(C)CC1
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C1C[C@@]23OC(=O)[C@](C)([C@]2([H])CC(=O)[C@]2([H])C[C@@](C=C)(C)CC[C@]23C)C1
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| MCULE-6690548447 |
0.65 |
C12(C)C(=O)OCC1C1(CCC2O1)C
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| MCULE-4381848131 |
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C12C(=O)OCC1C1OC2CC1
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C12(COC(C)=O)COC(=O)C1(C)C1CCC2O1
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C1(COC(=O)CCCCC)COC(=O)C1
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C1CC2(C)C3CCC4C5C(C(C)=C)CCC5(C(=O)O)CCC4(COC(=O)C)C3(C)CCC2C(C)(C)C1O
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C1(COC(=O)CCCC(C)C)COC(=O)C1
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C12(C)CCC3C(CC([C@@]4(O)CC(OC(C)=O)CCC34C)O)C1CC1CCCCC21C(C)=O
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0.65 |
[C@@]12(C)CCC3(C([C@H](C(C)=C)CC3)C1CCC1[C@@]2(C)CCC2[C@]1(C)CCC(OC(C)=O)C2(C)C)C(OC)=O
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| MCULE-3446065696 |
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C=CC(=O)OCC1CCC2C(O2)C1
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C1[C@@H](O)[C@]23[C@]4([H])CC[C@H]5C(C([C@@]4([C@@H]5O)C(OC2)(O)[C@@H](O)[C@]3([H])[C@@](COC(=O)C)(C)C1)=O)=C
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0.65 |
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
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CC(=C)C1CCC2(CCC3(COC(C)=O)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12)C(O)=O
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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]3C[C@@H](O)[C@@]2(O)C1
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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
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C\C=C(\C)C(=O)OC1C\C(C)=C\CCC2(CO)OC2C2OC(=O)C(=C)C12
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CC1CC(O)C2C(OC(=O)C2=C)C2=C(C)C(=O)CC12
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CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC
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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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CC1(C)C(OC(=O)CC2CC3CCC2C3)C2CCOC12
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CCCCC45C(C)=O)C3CC3OC23C1
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3C[C@@H]3O[C@]23C1
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CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
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CC(=O)OC1CCC2(C)CCC(CC2C1=C)C(C)(C)O
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CC(CCOC(C)=O)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C
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CC(=O)OC(C)(CCC1C(C)(CCC2C(C)(C)CCCC12C)OC(C)=O)C=C
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CC1CCC2OC(C)(C)C(=O)C(O)CC2(C)C1(O)CCC1C(=C)CCC2OC(C)(C)C(CCC12C)OC(C)=O
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C\C=C(/CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
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C\C=C(\CO)C(=O)OC1C\C(C)=C\C(O)C\C(C)=C\C2OC(=O)C(=C)C12
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CC(C)C(=O)OCC1=C(C(C)CCCOC(C)=O)[C@@H](OC(C)=O)C2C(C1)OC(=O)C2=C
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C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)CO
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C\C(=C/CO)C(=O)OC1C\C(C)=C\CC\C(CO)=C\C2OC(=O)C(=C)C12
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CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
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C\C=C(/C)C(=O)OC1CC2C(O)CC3(C)C(=CCC4C5CCCC(C)(CO)C5CCC34C)C2CC1(C)C
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0.64 |
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 |
0.64 |
C1(O)C=C(C)CC(OC(=O)/C(/CO)=C\C)C2C(=C)C(=O)OC2C=C(C)C1
|
|
| MCULE-7388224086 |
0.64 |
C12C(CC(=C(C(C)CCCOC(C)=O)[C@H]1OC(C)=O)COC(C(C)C)=O)OC(=O)C2=C
|
|
| MCULE-2089176275 |
0.64 |
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-3037222806 |
0.64 |
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-3709898565 |
0.64 |
C1C=C(C)CC(OC(=O)/C(/C)=C/CO)C2C(=C)C(=O)OC2C=C(CO)C1
|
|
| MCULE-5956894545 |
0.64 |
C123C(O)CCC(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O
|
|
| MCULE-3623108676 |
0.64 |
[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-1316729655 |
0.64 |
CC=C(C)C(OC1CC2C(CC3(C)C(C2CC1(C)C)=CCC1C3(CCC2C1CCCC2(CO)C)C)O)=O
|
|
| MCULE-4960489764 |
0.64 |
C1[C@@H]([C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)CC1)OC([C@@H](C)CC)=O
|
|
| MCULE-7919639616 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C1(C)CCC(=O)O1
|
|
| MCULE-4273868412 |
0.64 |
C1C=C(C)CC(O)C2C(COC)C(=O)OC2C=C(C)C1
|
|
| MCULE-1048308281 |
0.64 |
C123C(=O)OC4C5OC(=O)C(C5C(C)=C)C(CC1(O2)[H])(O)C34C
|
|
| MCULE-1130606606 |
0.64 |
O1[C@@H]2C[C@@]3([C@H]4C(=O)O[C@H]([C@H]4C(=C)C)[C@@H]4[C@]3(C)[C@]12C(=O)O4)O
|
|
| MCULE-3285933896 |
0.64 |
O=C1O[C@]2([H])[C@@H](C(=C)C)[C@]1([C@]1([C@]3([C@]2([H])OC(=O)[C@@]23O[C@]2([H])C1)C)O)[H]
|
|
| MCULE-5844154032 |
0.64 |
[C@@]123C(=O)O[C@@H]4[C@@H]5OC(=O)[C@@H]([C@@H]5C(C)=C)[C@@](C[C@]1(O2)[H])(O)[C@]34C
|
|
| MCULE-1845563716 |
0.64 |
O=C1O[C@]2([H])[C@H](C(C)(O)C)[C@]1([C@]1([C@]3([C@]2([H])OC(=O)[C@@]23O[C@]2([H])C1)C)O)[H].O=C1OC2C(C(=C)C)C1C1(C3(C2OC(=O)C23OC2C1)C)O
|
|
| MCULE-4803801964 |
0.64 |
O1[C@@H]2C[C@@]3([C@H]4C(=O)O[C@H]([C@H]4C(=C)C)[C@@H]4[C@]3(C)[C@]12C(=O)O4)O.O1[C@@H]2C[C@@]3([C@H]4C(=O)O[C@H]([C@H]4C(C)(C)O)[C@@H]4[C@]3(C)[C@]12C(=O)O4)O
|
|
| MCULE-3928791581 |
0.64 |
C[C@H]1[C@@H]([C@](C[C@@H](OC(=O)CO)C2([C@H](C)CCC31CCC(=O)[C@]32[H])C)(C)C=C)O
|
|
| MCULE-1118824383 |
0.64 |
O=C(CO)O[C@@H]1C[C@](C=C)(C)[C@@H](O)[C@H](C)[C@]23CC[C@@H](C)[C@]1([C@]2([H])C(=O)CC3)C
|
|
| MCULE-7343644414 |
0.64 |
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-6052588676 |
0.64 |
C1C[C@@H]2O[C@@]3([H])OC[C@@]1(C)[C@@]3([C@]12COC(=O)[C@]23[C@H](O)C(=C)[C@H](CC[C@]21[H])C3)[H]
|
|
| MCULE-5043130196 |
0.64 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(CC5C4(C3CCC2(C1)[H])O5)C(OC)=O)OC(C)=O
|
|
| MCULE-9817931097 |
0.64 |
O1C(=O)C2CC(=C)CC2C1=O
|
|
| MCULE-3889682039 |
0.64 |
C12(CC(OC1=O)=O)CCC(=C)C2(C)C
|
|
| MCULE-4705767397 |
0.64 |
C1(CC(OC21CCCCC2)=O)C(O)=O
|
|
| MCULE-3305666834 |
0.64 |
[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-3169829105 |
0.64 |
C12[C@H]3OC(C(=C)C3[C@@H](CC(=CCC[C@]1(O2)C)C)OC(=O)/C(/C)=C/CO)=O
|
|
| MCULE-4463171772 |
0.64 |
CC1CCC2(OC(=O)CC2=C)CC=1
|
|
| MCULE-6016945740 |
0.64 |
C(C)(=O)OC1CCC2(C)C(O)(C1)C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)=O
|
|
| MCULE-5067610229 |
0.64 |
C(CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(OC)=O)(O)=O
|
|
| MCULE-5176587980 |
0.64 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCC(O)=O)=O
|
|
| MCULE-4882022453 |
0.64 |
COC1CC(OC(C2CCCC=2)=O)CC(OC)C1
|
|
| 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-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-1499638877 |
0.64 |
CC(C(C1C(CC2C(O)C(O)C(CC(=CC(OCCCCCCCCC(=O)O)=O)C)OC2)O1)C)O
|
|
| 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-3425828221 |
0.64 |
C12(CC3CC(CC(C3)C1)C2)OC(=O)C(C)=C
|
|
| MCULE-9434403161 |
0.64 |
CC1(OC(=O)CC1)CC1COCC1
|
|
| MCULE-1926051156 |
0.64 |
CCOC1CCC2(OC(=O)CC2)CC1
|
|
| MCULE-5200353999 |
0.64 |
C1(OC(=O)C(C)=C)(C(C)C)CCCCC1
|
|
| MCULE-5558347136 |
0.64 |
C1(CC(C)(C)CC(C)C1)OC(C(C)=C)=O
|
|
| MCULE-5484629919 |
0.64 |
C1[C@@H]2OC(=O)[C@@]34C(=O)C(=C)[C@@H](C3)C[C@@H](O)[C@@]4([H])[C@@]32CO[C@@]2(OC[C@@](C)([C@H]32)C1)[H]
|
|
| MCULE-9566808009 |
0.64 |
[C@]12([H])CC(=O)C(C)=C1C[C@H](C(OC(C)=O)(C)C)C(OC(/C(=C\C)/C)=O)C[C@@H]2C
|
|
| MCULE-7181833804 |
0.64 |
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-2930807712 |
0.64 |
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-7505841337 |
0.64 |
C1(=O)O[C@H]2[C@@H](CCC(=C)[C@@H](CCC(C)=C2)O)C1=C
|
|
| MCULE-7618445658 |
0.64 |
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 |
0.64 |
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-4566201442 |
0.64 |
C(C)(=O)OC1CCC23C4CCC5(C)C(CCC5(C4(CCC2(O)C1)OC3=O)[H])C(COC(C)=O)=O
|
|
| MCULE-8569314397 |
0.64 |
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-4523943869 |
0.64 |
C1C=C(C)CC(OC(=O)C)C2C(COC)C(=O)OC2C=C(C)C1
|
|
| MolPort-028-955-214 |
0.64 |
COC1CC(CC(C1)OC(=O)C1=CCCC1)OC
|
|
| 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-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-001-742-636 |
0.64 |
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-002-511-603 |
0.64 |
C[C@]12CCC3C(CC=C4CC(CC[C@]34C)OC(=O)CCC(O)=O)C1CCC2=O
|
|
| MolPort-044-723-377 |
0.64 |
C[C@H](CC(=O)C(=C)[C@H](C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(=O)CC(O)=O)C(C)(C)[C@@H]1CC3
|
|
| MolPort-009-680-180 |
0.64 |
CC(=C)C(=O)OC1(C)C2CC3CC(C2)CC1C3
|
|
| MolPort-023-332-773 |
0.64 |
CC(C)C1(OC(=O)C(C)=C)C2CC3CC(C2)CC1C3
|
|
| MolPort-035-706-335 |
0.64 |
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3C=C[C@@]45OC(=O)[C@]3(CC[C@]12C)[C@@H]4CC[C@H](O)C5(C)C
|
|
| MolPort-039-062-043 |
0.64 |
CC(=C)C(=O)O[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2
|
|
| MolPort-035-705-869 |
0.64 |
C[C@]12CO[C@H]3OC[C@]4([C@@H]13)[C@H](CC2)OC(=O)[C@@]12C[C@@H](C[C@@H](O)[C@@H]41)C(=C)C2=O
|
|
| MolPort-046-685-809 |
0.64 |
CC(=C)C(=O)OC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
|
|
| MolPort-009-680-179 |
0.64 |
CCC1(OC(=O)C(C)=C)C2CC3CC(C2)CC1C3
|
|
| MolPort-019-992-841 |
0.64 |
CC(=C)C(=O)OC12CC3CC(CC(C3)C1)C2
|
|
| MolPort-001-742-445 |
0.64 |
CC(=O)O[C@@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)C2[C@H](OC(=O)C2=C)\C=C1\C
|
|
| MolPort-046-158-459 |
0.64 |
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-046-158-398 |
0.64 |
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-046-687-432 |
0.64 |
C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O
|
|
| MolPort-001-740-742 |
0.64 |
C\C1=C/CC\C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(=C)C(O)CO
|
|
| MolPort-039-339-218 |
0.64 |
CC(=O)OC\C1=C\C[C@H](OC(C)=O)C(C)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](C1)OC(=O)C(\C)=C\CO
|
|
| MolPort-039-052-678 |
0.64 |
C\C=C(\C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(O)=O
|
|
| MolPort-001-740-199 |
0.64 |
CC(=O)O[C@H]1C\C=C(C)\C[C@@H](OC(=O)C(\CO)=C\CO)[C@@H]2[C@H](OC(=O)C2=C)\C=C1\C
|
|
| MolPort-039-339-219 |
0.64 |
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-001-742-402 |
0.64 |
CC(=O)OCC1=CCC2C(C)(C)CCCC2(C)C11CCC(C)(CC(O)=O)O1
|
|
| MolPort-046-153-753 |
0.64 |
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-035-765-923 |
0.64 |
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CCC[C@]2(C)C2C(=O)C[C@@](C)(O[C@]12C)C=C
|
|
| MolPort-046-689-861 |
0.64 |
[Na+].C[C@H](O)[C@H](C)C(O)[C@@H]1C[C@H]2CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]2O1
|
|
| MolPort-046-153-175 |
0.64 |
COCC1C2C(OC1=O)\C=C(C)\CC\C=C(C)\CC2OC(C)=O
|
|
| MolPort-002-526-956 |
0.64 |
C\C=C(\C)C(=O)O[C@H]1CC(C)=C2[C@@H]([C@H]3OC(=O)[C@H](C)[C@H]13)C(C)=CC2=O
|
|
| MolPort-001-762-096 |
0.63 |
CC(C)(C)CC(=C)CC1CC(=O)OC1=O
|
|
| MolPort-039-052-698 |
0.63 |
C[C@]1(O)C[C@@H](O)[C@]2(O)CC(=O)OC[C@H]12
|
|
| MolPort-005-945-746 |
0.63 |
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-046-761-029 |
0.63 |
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-002-512-360 |
0.63 |
C[C@H]1[C@H]2[C@H](OC1=O)[C@H]1C(C)=CC(=O)C1=C(C)C[C@@H]2OC(=O)C1CCCCC1
|
|
| MolPort-002-521-598 |
0.63 |
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-002-526-756 |
0.63 |
CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC[C@@H]2C4[C@@H](CC[C@@]4(CC[C@@]32C)C=O)C(C)=C)C1(C)C
|
|
| MolPort-027-673-533 |
0.63 |
COC1CCCC(C1)OC(=O)CC1CC2CCC1C2
|
|
| MolPort-039-338-775 |
0.63 |
CC(=O)O[C@@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]14CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]4OC(C)=O)C(=O)C2=C
|
|
| MolPort-002-514-788 |
0.63 |
CCOC(=O)CC(C)(O)[C@@]12O[C@@H]1CC1C3CC=C4CC(CC[C@]4(C)C3CC[C@]21C)OC(C)=O
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|
| MolPort-027-853-726 |
0.63 |
C[C@H]1C[C@@H]2O[C@]11CCC(=O)[C@@]1(C)C[C@@H]2C(=C)C(O)=O
|
|
| MolPort-001-963-974 |
0.63 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC21CCC(=O)O1
|
|
| MolPort-035-946-559 |
0.63 |
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 |
0.63 |
CC1(CCC(=O)O1)C1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-005-944-607 |
0.63 |
CC1C=CC2CCCCC2C1CCC1CC(O)CC(=O)O1
|
|
| MolPort-002-508-875 |
0.63 |
CCCCC(=O)OCC1(COC(=O)CCCC)C(C)CC(C)=CC1C
|
|
| MolPort-028-247-126 |
0.63 |
O=C(CCC1CCCO1)OCC1CCC=CC1
|
|
| MolPort-016-633-200 |
0.63 |
CC1=CCC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
| MolPort-009-758-696 |
0.63 |
C\C1=C\CC\C(C)=C/[C@H]2OC(=O)C(=C)[C@@H]2CC1
|
|
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0.63 |
C\C1=C/CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
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CC1=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@@H]2CC1
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C\C=C(\C)C(=O)OC1C2OC2C2(CO2)C2C3OC(=O)C(C)C3CCC12C
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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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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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CC(=O)OC1CCC2(C=O)C3CCC4(C)CC(CC4(O)C3CCC2(O)C1)C1=CC(=O)OC1
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C\C1=C\CC\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]2CC1
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CC12CCC(O1)C1C(=O)OC(=O)C21C
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CCOC(=O)C1CC(=O)OC11CCCCC1
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O=C1OC(=O)C2[C@@H]3CC[C@@H](O3)C12
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O=C1OC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@H]12
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C[C@]12C3CCC(O3)[C@@]1(C)C(=O)OC2=O
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COC(=O)C1CC(=O)OC11CCCCC1
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CC12CCC(O1)C1(C)C2C(=O)OC1=O
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CC(=O)OC1CCC(=O)C2COC(=O)C12C
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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
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[Li+].C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(C)=CC(=O)OCCCCCCCCC([O-])=O)[C@H](O)[C@@H]1O
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C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O
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C[C@H]1[C@H]2C[C@@H]3O[C@]3(C)[C@@H](O)C[C@H]3O[C@]3(C)C[C@@H]2OC1=O
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O=C1OC(=O)C2C3CCC(O3)C12
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C12C(C(=O)OC)C(C(=O)OC)C3C4C1C1(COC(=O)C)C2C3C41OC(=O)C
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C(OCC=C)(C1CC2C(CC1C)O2)=O
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C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CC3C2(C1)O3)C(C)=O)OC(C)=O
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[C@]12(O)[C@H](O)C[C@](C)(O)[C@@]1([H])COC(=O)C2
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O=C1CC(CC(=C)CC(C)(C)C)C(=O)O1
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C12(C3(C4[C@@]5([H])OC(=O)C(=C)C5CC[C@@](O)(C4(C1)C=C3)C)C)C(O[C@@]1([H])C2C[C@@H](OC(=O)C)[C@](O)(C)C2C1C(C)=CC2)=O
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[C@]12([H])C(C)=CC(=O)C1=C(C)C[C@H](OC(C1CCCCC1)=O)[C@H]1[C@@H](C(=O)O[C@H]21)C
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[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
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[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
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C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C(C)=O
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COC1CC(OC(CC2C3CC(CC3)C2)=O)CCC1
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[C@]12(C(C)(O)CC(OCC)=O)[C@H](O1)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)OC(C)=O
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CC12C3(OC(=O)CC3)CCC1C1CC=C3C(C)(C1CC2)CCC(O)C3
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[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]
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C1(COC(CCCC)=O)(COC(CCCC)=O)C(C)CC(=CC1C)C
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O1C(CC2C1C1(C)C(C2)C2C(CC1)C1(C)CCC(O)CC1=CC2)=O
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[C@]12(C)C[C@H](C(C(=O)O)=C)[C@H]3O[C@@]1([C@@H](C)C3)CCC2=O
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C1CC2C(CCC3OC(=O)CC(O)C3)C(C)C=CC2CC1
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O=C(OCC1CC=CCC1)CCC1OCCC1
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O(C1C2(C(C3(C4OC14)OC3)C1OC(=O)C(C)C1CC2)C)C(/C(=C\C)/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=O)CC[C@H](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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C12(O)CC(CC1(C)CCC1C2CCC2(C1(C=O)CCC(OC(C)=O)C2)O)C1COC(=O)C=1
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C1(=O)O[C@H]2[C@@H](CCC(C)=CCCC(C)=C2)C1=C
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C1(=O)O[C@]2([C@@]([H])(CCC(C)=CCCC(C)=C2)C1=C)[H]
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[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
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O1[C@H]2CC[C@@H]1[C@]1(C)C(=O)OC([C@]12C)=O
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CC(C[C@@H](CC(OCCCOCC=C)=O)CN)C
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O=C1[C@]2([C@]3(O[C@@](CC3)([H])[C@@]2(C)C(=O)O1)[H])C
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| MCULE-9858063647 |
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O1C2CCC1(C)C1C2C(OC1=O)=O
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C1C2OC(C3C(=O)OC(=O)C32C)C1
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C1(=O)OC(C2C3CCC(O3)C12)=O
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C1(CC(OC21CCCCC2)=O)C(OCC)=O
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C12(C)C3(C)CCC(O3)C1C(OC2=O)=O
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| MCULE-2925091645 |
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C12(C)C3CCC(O3)(C)C1C(OC2=O)=O
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| MCULE-7638289663 |
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CC12C(OC(=O)C1(C1CCC2O1)C)=O
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C1(=O)OC([C@H]2[C@@H]3CC[C@@H](O3)[C@@H]12)=O
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C1[C@H]2OC2(C)C[C@]2([H])OC(=O)[C@H]([C@@]2([H])C[C@@H]2O[C@]2(C)[C@H]1O)C
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C1(CC(OC21CCCCC2)=O)C(OC)=O
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| MCULE-1557043772 |
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C12(C)C(CCC(=O)C1COC2=O)OC(C)=O
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C12C(C)=CC(=O)C1=C(C)CC(O)C1C(C(=O)OC21)C
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| MCULE-4251451769 |
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C1C(OC(C)=O)C2(C)C(C=O)=C(C)CCC2OC1C(O)(C)C
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| MCULE-9689647613 |
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[C@]12([H])C(C)=CC(=O)C1=C(C)C[C@H](O)[C@@]1([H])[C@H](C(=O)O[C@H]21)C
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C12C(C)=CC(=O)C1=C(C)C[C@H](O)C1[C@@H](C(=O)O[C@H]21)C
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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
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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
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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
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C1(=O)O[C@H]2[C@@H]([C@H](CC3=CC(CC(C)=C2)OC3=O)OC(=O)C(C)=C)C1=C
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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
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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
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|
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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
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C(C)(=O)OC1CCC2(C)C(O)(C1)CC(C1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(O)C21O)=O
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|
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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-1906795397 |
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C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21[H])=O)OC(C)=O
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|
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C1C=C(C)CCC2C(COC)C(=O)OC2C=C(C)C1
|
|
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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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CCCCCCC(=O)OCC(C)=C
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|
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C(OCC)(=O)C1CCC(CC1)=C
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[C@]12(C)CCC3[C@@]([H])(C[C@@H]([C@@]4(O)C[C@@H](OC(C)=O)CC[C@]34C)C)[C@]1([H])C[C@@]1([H])CCCC[C@@]21C(C)=O
|
|
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O(C1CC2CC1CC2)C(C(=C)C)=O
|
|
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C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CCC2(O)C1)C(OCC)=O
|
|
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0.63 |
CC(=C)C(=O)O[C@@H]1C[C@]2([H])C(C)(C)[C@]1(CC2)C
|
|
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CCC1C(OC(CCC2OCCC2)=O)CCCC1
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|
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C1(CC(CCC1C(C)=C)C)OC(C)=O
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CC(=C)C(=O)O[C@@H]1C[C@]2([H])C(C)(C)[C@]1(CC2)C
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|
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[C@@]12(C)CC(O[C@]1([H])C[C@H](CC2=O)C(C)=C)=O
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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
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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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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
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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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C12(COC(C)=O)COC(C(C(C)=CC1C)C2C)C=C
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|
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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
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[C@]12([H])C(C)=CC(=O)C1=C(C)C[C@H](OC(CCC=C)=O)[C@H]1[C@@H](C(=O)O[C@H]21)C
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[C@@H]1(O)[C@@H](O)[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4(O)[C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C
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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
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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
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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
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CC(C)CC(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
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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
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C[C@H]1C2[C@H](OC1=O)C1C(C)=CC(=O)C1=C(C)C[C@@H]2O
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O.C[C@H]1[C@H]2[C@H](OC1=O)[C@H]1C(C)=CC(=O)C1=C(C)C[C@@H]2O
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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
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CC(C)CC(=O)OC1CC(C=O)=CCC\C(CO)=C\C2OC(=O)C(=C)C12
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C[C@@H]1[C@H]2[C@H](OC1=O)[C@H]1C(C)=CC(=O)C1=C(C)C[C@@H]2O
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CCC(C)C(=O)OC1CC(C=O)=CCC\C(COC(C)=O)=C\C2OC(=O)C(=C)C12
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O.C[C@H]1C2[C@H](OC1=O)C1C(C)=CC(=O)C1=C(C)C[C@@H]2O
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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
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CC(=C)C(=O)O[C@H]1CC2=CC(C\C(C)=C\[C@H]3OC(=O)C(=C)[C@H]13)OC2=O
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0.63 |
C[C@H]1[C@H]2[C@H](OC1=O)[C@H]1C(C)=CC(=O)C1=C(C)C[C@@H]2O
|
|
| MolPort-038-386-662 |
0.63 |
CC(=O)OC1CC(OC2CCC(C)=C(C=O)C12C)C(C)(C)O
|
|
| MolPort-046-153-176 |
0.63 |
COCC1C2CC\C(C)=C\CC\C(C)=C\C2OC1=O
|
|
| MolPort-039-338-772 |
0.63 |
CC(=O)O[C@@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]14CO[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]4O)C(=O)C2=C
|
|
| MolPort-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-044-895-286 |
0.63 |
CCOC(=O)C(=C)C1CCC1
|
|
| MolPort-009-194-498 |
0.63 |
CCOC(=O)C1CCC(=C)CC1
|
|
| MolPort-027-836-027 |
0.63 |
CC(=C)C(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
|
|
| MolPort-044-566-666 |
0.63 |
"CC(=C)C(=O)OC1C[C@H]2CC[C@]1(C)C2(C)C |&1:8 |
|
| MolPort-002-527-014 |
0.63 |
C[C@H]1C[C@H]2[C@@H]3C[C@H]4CCCC[C@@]4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CC[C@@H](C[C@]12O)OC(C)=O
|
|
| MolPort-028-247-153 |
0.63 |
CCC1CCCCC1OC(=O)CCC1CCCO1
|
|
| MolPort-039-338-095 |
0.63 |
CC(=C)C(O)CCC(=C)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]21C
|
|
| MolPort-039-010-322 |
0.63 |
CC(=C)C(=O)OC1CC2CC1C1CCCC21
|
|
| MolPort-046-764-540 |
0.63 |
O[C@@H]1C[C@]2(O)C[C@@H](OC2=O)[C@@H]1O
|
|
| MolPort-046-596-575 |
0.63 |
CC1CC2[C@@H]3C[C@H]4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(C[C@]12O)OC(C)=O
|
|
| MolPort-045-968-441 |
0.63 |
CC1C=C(C)C2C(C)C1(COC(C)=O)COC2C=C
|
|
| MolPort-044-754-158 |
0.63 |
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 |
0.63 |
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-046-509-020 |
0.63 |
CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O
|
|
| MolPort-044-559-975 |
0.63 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4CC(O)C(O)CC4(C)[C@H]3CCC12C
|
|
| MolPort-046-067-657 |
0.63 |
CC1C=C(C)C2[C@H](C)C1(COC(C)=O)COC2C=C
|
|
| MolPort-002-512-393 |
0.63 |
C[C@H]1[C@H]2[C@H](OC1=O)[C@H]1C(C)=CC(=O)C1=C(C)C[C@@H]2OC(=O)CCC=C
|
|
| MolPort-039-052-352 |
0.63 |
C[C@H]1OC(=O)[C@@H](C)C1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-020-005-955 |
0.63 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-741-220 |
0.63 |
C[C@H]1OC(=O)[C@@H](C)[C@@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-761-511 |
0.63 |
CC12C=CC[C@@]3(OC1=O)[C@@H]1CC[C@]4(O)C[C@]1(CC4=C)[C@H]([C@H]23)C(O)=O
|
|
| MolPort-005-944-535 |
0.63 |
CCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-005-944-539 |
0.63 |
CCCCCCCC(=O)OC1C=C(CO)C(O)(CO)C2(C)C(O)CCC(C)(C)C12
|
|
| MolPort-035-706-211 |
0.63 |
C[C@@H]1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H](O)[C@@]23OC1=O
|
|
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0.63 |
CC(C)CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2[C@@H](CC=C3C[C@@H](O)CC[C@]23C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C
|
|
| MolPort-039-338-274 |
0.63 |
CC(C)CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H]2C(CC=C3C[C@@H](O)CC[C@]23C)[C@@]2(O)CC[C@H](C(C)=O)[C@@]12C
|
|
| MolPort-035-742-821 |
0.63 |
CC1(C)C2CCC1(C)C(C2)OC(=O)C1CC2CCC1O2
|
|
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0.62 |
CC1=C2CC3C(CCC3(C)O)C(C)(O)CC2OC1=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
|
|
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0.62 |
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-046-764-836 |
0.62 |
[Na+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C(O)C2=CC(O)[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-035-705-823 |
0.62 |
CC(C)C(=O)O[C@@H]1CC=C(C)[C@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)O[C@@]4(COC(=O)C4)CC[C@]3(C)[C@@H]12
|
|
| MolPort-046-761-616 |
0.62 |
[Na+].CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)[C@H](O)C2=C[C@H](O)[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC([O-])=O)[C@@H]12
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|
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C[C@]12C[C@H](OC1=O)[C@]1(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1C2
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|
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COC1CCCC(C1)OC(=O)C1CCC(=O)CC1
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|
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CC(C)(C)CCCC(=O)OC1C2CCOC2C1(C)C
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|
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC(=O)[C@@]2(O)C1
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|
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CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4C[C@@]5(C)C[C@H](OC5=O)[C@]4(C)CC[C@@]32C)C1(C)C
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|
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CC1CCC(=O)CC(O)C(O)CC(=O)O1
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|
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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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|
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CCCCCCC(C(=O)OC)C(=C)C(O)=O
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CC(C)CC(=O)O[C@H]1CC(C)=C2[C@@H]([C@H]3OC(=O)[C@@H](C)[C@H]13)C(C)=CC2=O
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|
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CC1=C(CCC(O)=O)[C@@](C)(O)[C@@H]2OC(=O)C(=C)[C@@H]2CC1
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CCCC(=O)O[C@H]1CC(C)=C2[C@@H]([C@H]3OC(=O)[C@@H](C)[C@H]13)C(C)=CC2=O
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CCCCC(=O)O[C@H]1CC(C)=C2[C@@H]([C@H]3OC(=O)[C@@H](C)[C@H]13)C(C)=CC2=O
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|
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CC1(CO)CC2C(C1)C(C)(O)CC1=C(COC1=O)C2O
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|
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CCCCCC(=O)O[C@H]1CC(C)=C2[C@@H]([C@H]3OC(=O)[C@@H](C)[C@H]13)C(C)=CC2=O
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|
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C[C@H]1C2[C@H](OC1=O)C1C(C)=CC(=O)C1=C(C)C[C@@H]2OC(C)=O
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|
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CC1OC(=O)C23C(=C)C(C)(CC4C2(C)CCC2C(C)(C)C(=O)C=CC42C)OC(=O)C13O
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0.62 |
CCC(=O)O[C@H]1CC(C)=C2[C@@H]([C@H]3OC(=O)[C@@H](C)[C@H]13)C(C)=CC2=O
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CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)[C@H]1OC[C@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H]1OC(=O)CCCCCCC\C=C/CCCCCCCC
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CC(=O)OC1CC(O)C(C)(C)C2CC(OC(C)=O)C3(C)C(CCC4(C)C(CC=C34)C3COC(C(O)C3)C(C)(C)O)C12C
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|
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CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)[C@H]1OC[C@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H]1OC(=O)CCCCCCC\C=C/CCCCCCCC
|
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CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
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|
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CC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
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CC1C[C@]2(CCC=C(C)C)CC[C@@]1(COC(C)=O)CO2
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|
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Cl.CC(C)C[C@H](CN)CC(=O)OCCCOCC=C
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|
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CC1CC2(CCC=C(C)C)CCC1(COC(C)=O)CO2
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|
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0.62 |
CCOC(=O)C1C(C(=O)OCC)C2(CCCCC2)OC1=O
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|
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CCCCC(CC)COC(=O)C(C)=C
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|
| MolPort-003-910-926 |
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CCCCCCCCCCCCCCCCCCOC(=O)C(C)=C
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|
| MolPort-006-114-482 |
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CCCCCCCCCCCCCCOC(=O)C(C)=C
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|
| MolPort-003-927-456 |
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CC(=C)C(=O)OC1CCCCC1
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|
| MolPort-000-005-341 |
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CCCCCCCCCCCCCCCCCCCCCCOC(=O)C(C)=C
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|
| MolPort-001-786-415 |
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CCCCCCCCCCCCOC(=O)C(C)=C
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|
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CCC(C)C(=O)O[C@H]1[C@@H]2OC(=O)C(=C)[C@@H]2CC(=O)[C@H](C)[C@@]1(O)C(=O)\C=C\C
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|
| MolPort-000-005-568 |
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CCCCCCCCCCCCCCCCOC(=O)C(C)=C
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|
| MolPort-000-005-698 |
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CC(C)CCCCCOC(=O)C(C)=C
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|
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CC1CC2C(C=CC3C2CC2=C(O)CC(CC(O)C3C)OC2=O)C1OC(C)=O
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|
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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)C3CC[C@]2(C)[C@H]1C1=CC(=O)OC1
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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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|
| MolPort-035-742-837 |
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CC1(C)[C@@H]2C[C@H]1C(COC(=O)C1CC3CCC1O3)=CC2
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|
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C[C@@H]1[C@@H]2[C@@H](C[C@@H](C)[C@@H]3C=CC(=O)[C@@]3(C)[C@H]2OC(C)=O)OC1=O
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|
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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
|
|
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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
|
|
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CC(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
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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
|
|
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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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|
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CC1=C[C@@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@H]1CC[C@]2(C)O
|
|
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0.62 |
C1C(C2(C(C(C=C(C2(O)CO)CO)OC(CCCCCCC)=O)C(C)(C)C1)C)O
|
|
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0.62 |
C1C[C@]2(C)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@]4(C)[C@@]([H])(C(C)=O)CC[C@]4(O)C3CC=C2C[C@H]1O
|
|
| MCULE-2855951051 |
0.62 |
C1C[C@@]2([H])[C@H](C)CC[C@@]3([H])[C@@H](C)C(=O)O[C@@]23[C@H](O)[C@@]1(O)C
|
|
| MCULE-3219692660 |
0.62 |
CC1(C2(C(OC(C3C4OC(CC4)C3)=O)CC1CC2)C)C
|
|
| MCULE-1713731192 |
0.62 |
C1CC(C)(C)C2C(C(CO)(C(=CC2OC(CCCCC)=O)CO)O)(C1O)C
|
|
| MCULE-7070451847 |
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C1[C@@H](OC(=O)C(C)C)[C@]2([H])[C@@]3(C)CC[C@]4(COC(=O)C4)O[C@@]3(C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@]2(C)C(C)=C1
|
|
| MCULE-7717916149 |
0.62 |
C12CC3=C(C)C(=O)OC3CC(O)(C)C1CCC2(C)O
|
|
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0.62 |
C(C)(=O)OC1CCC2(C)C3(C1)CCC1(C4CCC(C(C)CCC(C)C(C)C)C4(C)CC=C21)O3
|
|
| MCULE-6697936504 |
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
|
|
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0.62 |
C(COC(=O)CCC(=O)O)(C)(COC(=O)CCC(=O)O)C(=O)O[C@@H]1CC2=CC[C@@]3([H])[C@]4([H])CC[C@@]([H])(C4(CC[C@]3([H])[C@@]2(C)CC1)C)[C@H](C)CCCC(C)C
|
|
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0.62 |
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
|
|
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0.62 |
[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
|
|
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0.62 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(O)C21
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|
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0.62 |
C(=O)(O)C(=C)C(C(=O)OC)CCCCCC
|
|
| MCULE-5733148236 |
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COC1CC(OC(C2CCC(=O)CC2)=O)CCC1
|
|
| MCULE-4332598389 |
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C1C(C)OC(=O)CC(O)C(O)CC(=O)C1
|
|
| MCULE-2033731298 |
0.62 |
CC(CCCC(OC1C(C)(C)C2C1CCO2)=O)(C)C
|
|
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0.62 |
C12(C)OC(=O)C3(C(OC(C3(C1=C)C1(C(C2)C2(C)C=CC(=O)C(C)(C)C2CC1)C)=O)C)O
|
|
| MCULE-9289500370 |
0.62 |
C1(=C(CCC(O)=O)[C@](O)(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1)C
|
|
| MCULE-4774974878 |
0.62 |
[C@]12([H])C(C)=CC(=O)C1=C(C)C[C@H](OC(CCCCC)=O)[C@H]1[C@@H](C(=O)O[C@H]21)C
|
|
| MCULE-7290707084 |
0.62 |
[C@]12([H])C(C)=CC(=O)C1=C(C)C[C@H](OC(CCC)=O)[C@H]1[C@@H](C(=O)O[C@H]21)C
|
|
| MCULE-9188129386 |
0.62 |
[C@]12([H])C(C)=CC(=O)C1=C(C)C[C@H](OC(C)=O)[C@H]1[C@@H](C(=O)O[C@H]21)C
|
|
| MCULE-9355176433 |
0.62 |
[C@]12([H])C(C)=CC(=O)C1=C(C)C[C@H](OC(CCCC)=O)[C@H]1[C@@H](C(=O)O[C@H]21)C
|
|
| MCULE-4185314226 |
0.62 |
C12C(C)=CC(=O)C1=C(C)CC(OC(C)=O)C1C(C(=O)OC21)C
|
|
| MCULE-4633674199 |
0.62 |
C12C(C)=CC(=O)C1=C(C)C[C@H](OC(C)=O)C1[C@@H](C(=O)O[C@H]21)C
|
|
| MCULE-1490809166 |
0.62 |
[C@]12([H])C(C)=CC(=O)C1=C(C)C[C@H](OC(CC)=O)[C@H]1[C@@H](C(=O)O[C@H]21)C
|
|
| MCULE-5042813534 |
0.62 |
C12C(O)C3CC(CO)(C)CC3C(O)(C)CC=1C(=O)OC2
|
|
| MCULE-1090478714 |
0.62 |
[C@]12([H])C(C)=CC(=O)C1=C(C)C[C@H](OC(CC(C)C)=O)[C@H]1[C@@H](C(=O)O[C@H]21)C
|
|
| MCULE-8587814356 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-9688459180 |
0.62 |
CCCCCCCCC=CCCCCCCCC(O[C@](CO)([C@]1(OC[C@](OC(CCCCCCCC=CCCCCCCCC)=O)([C@]1(OC(CCCCCCCC=CCCCCCCCC)=O)[H])[H])[H])[H])=O
|
|
| MCULE-4793681995 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2(O)C(=O)COC(C)=O
|
|
| MCULE-6377189094 |
0.62 |
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-8928562205 |
0.62 |
C(C)(=O)OC1CC(O)C2(CO)C3C(CC4(C)C(C5COC(C=5)=O)CCC4(O)C3CCC2(O)C1)OC(C)=O
|
|
| MCULE-1726017976 |
0.62 |
C1C(C2(C3CCC4(C(C3(C)C(OC(=O)C)CC2C(C1O)(C)C)=CCC4C1COC(C(C)(O)C)C(O)C1)C)C)OC(=O)C
|
|
| MCULE-6535187675 |
0.62 |
CCC1OCC2(C(=O)OC(=O)C2)C1
|
|
| MCULE-2484704323 |
0.62 |
C1(=O)OC2(C(C(OCC)=O)C1C(OCC)=O)CCCCC2
|
|
| MCULE-4573476108 |
0.62 |
CCCC1C2(C(=O)OC(=O)C2)COC1
|
|
| MCULE-4458928847 |
0.62 |
CC(C1OCC2(C(=O)OC(=O)C2)C1)C
|
|
| MCULE-4967146360 |
0.62 |
Cl.CC(C[C@@H](CC(OCCCOCC=C)=O)CN)C
|
|
| MCULE-3173290211 |
0.62 |
C1(CCCCC1)OC(=O)C(=C)C
|
|
| MCULE-5658213549 |
0.62 |
CCCCCCCCCCCCCOC(C(C)=C)=O
|
|
| MCULE-4637872898 |
0.62 |
C1(CCCCCCCCCCCC(O)CCO1)=O
|
|
| MCULE-1325716455 |
0.62 |
CC(C(OCCCCCCCCCCCC)=O)=C
|
|
| MCULE-9708847473 |
0.62 |
C(OCCCCCCCCCCC(C)C)(=O)C(=C)C
|
|
| MCULE-3739616298 |
0.62 |
CC(=C)C(=O)OCC(CCCC)CC
|
|
| MCULE-2076496686 |
0.62 |
[C@H]1(OC(C(C)CC)=O)[C@@H]2OC(C(=C)[C@@H]2CC(=O)[C@H](C)[C@@]1(O)C(=O)/C=C/C)=O
|
|
| MCULE-6561827943 |
0.62 |
C1=CC2C(CC(C)C2OC(=O)C)C2C1C(C)C(O)CC1CC(O)=C(C(=O)O1)C2
|
|
| MCULE-4469373425 |
0.62 |
C(COC(=O)C(=C)C)CCCCCCCCCCCCCCCC
|
|
| MCULE-6569281876 |
0.62 |
C(COC(=O)C(=C)C)CCCCCCCCCCCCCC
|
|
| MCULE-1580462179 |
0.62 |
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-1322261917 |
0.62 |
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-3230983688 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C5COC(C=5)=O)C(CC4(O)C3CCC2C1)OC(C)=O
|
|
| MCULE-8902402936 |
0.62 |
CC1([C@@H]2C(COC(C3C4OC(CC4)C3)=O)=CC[C@H]1C2)C
|
|
| MCULE-2917275236 |
0.62 |
[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-1204198061 |
0.62 |
[C@@H]1([C@@]2([H])[C@](C)([C@@H](OC(=O)C(C)C)[C@@]3([C@H](C)C(=O)O[C@@H]3C1)[H])C(C=C2)=O)C
|
|
| MCULE-4529551060 |
0.62 |
[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-9207728452 |
0.62 |
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 |
0.62 |
[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-8117348974 |
0.62 |
C/C(/C)=C/C1C(C)(C)C1C(OC1C(C)(C)C2C1CCO2)=O
|
|
| MCULE-2234048518 |
0.62 |
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-1981205050 |
0.62 |
CC1C2CC3OC(=O)C(O)C4(O)C53COC4(C)C(O)C(O)C5C2(C)C(O)C(=O)C=1
|
|
| MCULE-9798073540 |
0.62 |
O1C(C2[C@]3([C@@](CC[C@@]13[H])([H])C[C@H](C)C=2)O)=O
|
|
| MCULE-7462445595 |
0.62 |
C1(=O)[C@@H](O)[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4(O)[C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C
|
|
| MCULE-4092375452 |
0.62 |
C1C=C(C)CC(OC(=O)C)C2C(COC)C(=O)OC2C2OC2(C)C1
|
|
| MCULE-7614468328 |
0.62 |
O1C(=O)C(CC(C)=C)CC1=O
|
|
| MCULE-6250100613 |
0.62 |
C1(C)CC2CCC3OC(=O)C(C23O)=C1
|
|
| MCULE-5288846423 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2(O)C1)OC(C)=O)=O
|
|
| MCULE-6893538378 |
0.62 |
[C@@]12(O)[C@@H]3[C@H](C(C)(C)O)[C@@H](OC3=O)[C@H]3OC(=O)C([C@@]4(OC14)[H])[C@@]23C.[C@@]123C(=O)O[C@@H]4[C@@H]5OC(=O)[C@@H]([C@@H]5C(C)=C)[C@@](C[C@]1(O2)[H])(O)[C@]34C
|
|
| 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-1917377062 |
0.62 |
C(C)(=O)OC1CCC2(C)C3C(C4CCC(C(C)C(OC)=O)C4(C)CC=3)=CCC2(O)C1
|
|
| MCULE-2092078447 |
0.62 |
C1(C(OC(C1(C(O)=O)O)C(O)=O)=O)CCCCCCCCC=C
|
|
| MCULE-8924549531 |
0.62 |
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-9373297718 |
0.62 |
[C@@]12(C)C(=O)OC[C@@H]1C1(CCC2O1)CO
|
|
| MCULE-8274191901 |
0.62 |
[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-9070200931 |
0.62 |
C1C=C(C)CC(O)C2C(COC)C(=O)OC2C2OC2(C)C1
|
|
| MCULE-7942598042 |
0.62 |
CC1[C@@H]2C[C@@H]3[C@@]4(C)[C@@]([C@H]([C@H]([C@@H]([C@@H]4[C@@]2(C)[C@H](O)C(=O)C=1)O)O)C)(O)[C@@H](O)C(=O)O3
|
|
| MCULE-5714384003 |
0.62 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@H](O)[C@H](C)[C@@]4(O)[C@]3(C)[C@H](OC(=O)[C@@H]4O)CC2C(C)=C1
|
|
| MCULE-3989562438 |
0.62 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C=C)(CCC4C3CCC2(C1)[H])OC(C)=O
|
|
| MCULE-2128020767 |
0.62 |
C(OC(CCC(=C)C)C(C)=C)(C)=O
|
|
| MCULE-9742320916 |
0.62 |
C1(=O)C(CC(CO)O)CC(CCCCC)O1
|
|
| MCULE-5454204287 |
0.62 |
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-9703810188 |
0.62 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC(C1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC3C21O3)=O
|
|
| MCULE-3860715488 |
0.62 |
C1(=O)OC(CC1C1CCCO1)=O
|
|
| MCULE-4660404446 |
0.62 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)C(C)CC)C4=CC(=O)OC4)[C@@]3([H])C1)CO2
|
|
| MCULE-4800012179 |
0.62 |
O=C1CCC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2=C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-3762190089 |
0.62 |
C1(=O)O[C@H]2[C@@H](CCC(CO)=CCCC(COC(C)=O)=C2)C1=C
|
|
| MCULE-3052348589 |
0.62 |
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-5004596863 |
0.62 |
CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@@H]1[C@H](O)[C@@H](O)CO1
|
|
| MCULE-9891857644 |
0.62 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC3C21O3
|
|
| MCULE-5151845779 |
0.62 |
C1(CC(OC21CCCC2)=O)C(O)=O
|
|
| MolPort-035-838-850 |
0.62 |
CC(C)=CC1C(C(=O)OC2C3CCOC3C2(C)C)C1(C)C
|
|
| MolPort-044-754-056 |
0.62 |
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13[C@@H]2[C@@H](O)[C@@H]4O
|
|
| MolPort-001-801-286 |
0.62 |
CC(=C)CC1CC(=O)OC1=O
|
|
| MolPort-002-535-209 |
0.62 |
CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C.CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C3O[C@H]3C3C(=O)O[C@H]2[C@]13C
|
|
| MolPort-044-561-262 |
0.62 |
C[C@H]1C[C@H]2CC[C@H]3OC(=O)C(=C1)[C@@]23O
|
|
| MolPort-046-153-173 |
0.62 |
COCC1C2C(OC1=O)C1OC1(C)CC\C=C(C)\CC2OC(C)=O
|
|
| MolPort-046-790-373 |
0.62 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-023-334-680 |
0.62 |
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@]4(C)OC[C@]13C2[C@@H](O)[C@@H]4O
|
|
| MolPort-001-739-325 |
0.62 |
OC(=O)C1OC(=O)C(CCCCCCCCC=C)C1(O)C(O)=O
|
|
| MolPort-028-854-621 |
0.62 |
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-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-044-755-257 |
0.62 |
CC(=O)O[C@H]1CCC2[C@H]3CCC4=C(CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]2(C)C1)C(C)=O
|
|
| MolPort-006-069-345 |
0.62 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[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-044-562-376 |
0.62 |
CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-046-153-172 |
0.62 |
COCC1C2C(OC1=O)C1OC1(C)CC\C=C(C)\CC2O
|
|
| MolPort-019-937-337 |
0.62 |
C[C@H]1[C@@H](O)[C@H](O)C2[C@@]3(C)[C@H](O)C(=O)C=C(C)C3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23C
|
|
| MolPort-046-598-018 |
0.62 |
C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]11CC(CO)(CC([O-])=O)CO1
|
|
| MolPort-002-511-266 |
0.62 |
CCCCCC1CC(CC(O)CO)C(=O)O1
|
|
| MolPort-039-141-888 |
0.62 |
C[C@@]1(CO)[C@H](O)CC[C@]2(C)[C@@H]1CCC(=C)[C@H]2[C@H](O)CC1=CCOC1=O
|
|
| MolPort-044-183-412 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@H](CCCCC(O)=O)C[C@H]12
|
|
| MolPort-019-937-374 |
0.62 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OCC(O)C(O)C(O)C(O)CO
|
|
| MolPort-039-338-640 |
0.62 |
C[C@H](C[C@H](OC(C)=O)[C@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-039-338-642 |
0.62 |
C[C@H](C[C@H](OC(C)=O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-039-138-962 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@@H]2O[C@@H](CCCCC(O)=O)C[C@H]12
|
|
| MolPort-039-061-889 |
0.62 |
CCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O
|
|
| MolPort-003-939-304 |
0.62 |
CCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O
|
|
| MolPort-001-742-398 |
0.62 |
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-044-754-157 |
0.62 |
CCC(C)C(=O)O[C@@H](C[C@@]1(C)[C@H](C)C[C@H](OC(C)=O)[C@]2(COC(C)=O)[C@@H]1CCC[C@]21CO1)C1=CC(=O)OC1
|
|
| MolPort-001-742-456 |
0.62 |
CC(=O)OC\C1=C/[C@H]2OC(=O)C(=C)[C@@H]2CC\C(CO)=C\CC1
|
|
| MolPort-002-511-911 |
0.62 |
CCCCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O
|
|
| MolPort-029-943-089 |
0.62 |
CCC(C)C(=O)O[C@@H]1[C@@H]2[C@H](CC(C)=C1[C@H](C)CCCO)OC(=O)[C@]21C[C@]23C(OC(C)=O)[C@@H]1C(C)=C2C[C@@H]1[C@@H](C[C@H]3C)OC(=O)C1=C
|
|
| MolPort-001-983-370 |
0.62 |
OC(=O)C1CC(=O)OC11CCCC1
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| MolPort-002-507-930 |
0.62 |
O=C1CC(C2CCCO2)C(=O)O1
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0.61 |
CCCCCCC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
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0.61 |
CCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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0.61 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCCC
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0.61 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC1CCCCC1
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0.61 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC1CCCCC1
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0.61 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCCC
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0.61 |
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
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0.61 |
CCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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0.61 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCCCCCCC
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0.61 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1CCCC1
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0.61 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C1CCCC1
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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)CCCCC
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CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C12CC3CC(CC(C3)C1)C2
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CCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(=O)OC4CC5CCC4C5)C3CC=C2C1
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CCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C12CC3CC(CC(C3)C1)C2
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC1CCCCC1
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CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
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CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC1CCCCC1
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CC1=C2CC3OC3(C)CCC3OC3(C)CC2OC1=O
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CC(=O)C1=CCC2C3CC[C@H]4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC(O)=O
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CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCC(=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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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC1CCCCC1
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCCCCC
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCC
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)C12CC3C[C@@H](CC(C3)C1)C2
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C[C@@H]1[C@H]2CC=C(CCO)[C@@H](C)C[C@@H]2OC1=O
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1CCCC1
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CCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
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COC(=O)C1CC2=CC(=O)CCC2(C)C2C(O)CC3(C)C(CCC33CCC(=O)O3)C12
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CC(=O)OCC(=O)[C@]1(CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)OC(C)=O
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COC(=O)[C@@H]1CC2=CC(=O)CCC2(C)C2[C@H](O)CC3(C)C(CC[C@@]33CCC(=O)O3)C12
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CC(C)OC(=O)C1[C@H]2C[C@@](C)(CC1C)OC2=O
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C[C@H]1[C@@H](O)C[C@H]2[C@@H]1COC(=O)[C@H]2CO
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O=C(CC1CCCO1)OC1CCC(CC1)OC(=O)CC1CCCO1
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CC(C)CCCC(C)OC(=O)C1C2CC(C)(CC1C)OC2=O
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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
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CCCC(C)OC(=O)C1C2CC(C)(CC1C)OC2=O
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CC1CC2(C)CC(C1C(O)=O)C(=O)O2
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CC(C)C12CC(C(CC1)C(O)=O)C(=O)O2
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CC(C)OC(=O)C1C2CC(C)(CC1C)OC2=O
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C[C@H]1[C@@H](O)C[C@H]2[C@@H]1COC(=O)[C@@H]2CO
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CC(C)[C@]12C[C@H](C(CC1)C(O)=O)C(=O)O2
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CC1C[C@]2(C)C[C@H](C1C(O)=O)C(=O)O2
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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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CC1=C2[C@H]3OC(=O)C(=C)[C@]3(O)CC[C@@]2(C)CCC1
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CC1(C)CC2(CCO1)OC(=O)CC2C(O)=O
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OCC(O)C(O)C(O)[C@H]1OC(=O)[C@H](O)[C@@H]1O
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CCOC(=O)C1CC(=O)OC11CCOC(C)(C)C1
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CC12CC11C(=O)OCC1(O)C(O)C1CC(C)(C)CC21
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CCOC(=O)C12CC1C1(CCCCC1)OC2=O
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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
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CC(=C)C(=O)OC1CC2CC1C=C2
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C[C@@H]1CC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
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CC1CC2C3CCC4CC(=O)CCC4(C)C3=CCC2(C)C1(O)C(=O)COC(C)=O
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[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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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
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CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(O)=O
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CC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
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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
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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
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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
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
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C[C@@H]1CC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-046-423-663 |
0.61 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-046-689-953 |
0.61 |
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
|
|
| MolPort-004-964-842 |
0.61 |
CCCCC1OC(=O)C2=CCCCC12
|
|
| MolPort-003-960-143 |
0.61 |
CCCCCC(OC(C)=O)C=C
|
|
| MolPort-020-006-022 |
0.61 |
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-003-941-574 |
0.61 |
CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
|
|
| MolPort-003-941-283 |
0.61 |
CC(=O)OCC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-002-130-598 |
0.61 |
CC(CCC(OC(C)=O)C(C)=C)C=C
|
|
| MolPort-027-564-867 |
0.61 |
[2H]C([2H])([2H])C(C)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CCC(O)=O)[C@@H]12
|
|
| MolPort-002-558-967 |
0.61 |
CC(C)CCOC(=O)C1CCCCC1O
|
|
| MolPort-002-529-073 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
|
|
| MolPort-028-746-660 |
0.61 |
C=CCOC(=O)CCCCC1CCCCC1
|
|
| MolPort-046-158-543 |
0.61 |
CC1(C)CCC[C@]2(C)[C@H]3COC(=O)C3=CC[C@@H]12
|
|
| MolPort-002-806-679 |
0.61 |
CC(=O)OCC1C(C)(COC(C)=O)C2CCC1(C)O2
|
|
| MolPort-039-338-816 |
0.61 |
CO[C@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](C[C@@H](O)[C@@H]34)C(=C)C5=O)[C@H]12
|
|
| MolPort-039-338-815 |
0.61 |
CO[C@@H]1OC[C@]2(C)CCC[C@]3(COC(=O)[C@@]45C[C@@H](C[C@@H](O)[C@@H]34)C(=C)C5=O)[C@H]12
|
|
| MolPort-039-014-001 |
0.61 |
OCC12CCC(CC1)(OC2)C=C
|
|
| MolPort-003-721-151 |
0.61 |
C=CCOC(=O)CCC1CCCCC1
|
|
| MCULE-1286036245 |
0.61 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCC)CC1=CC2)[H]
|
|
| MCULE-7572819806 |
0.61 |
CCCCCCCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-9543309945 |
0.61 |
C12(C)CCC3C4(C)CCC(OC(=O)C)CC4=CCC3C1CCC2C(=O)OC1CC2CCC1C2
|
|
| MCULE-6785867509 |
0.61 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCCCCCC)CC1=CC2)[H]
|
|
| MCULE-6594306024 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC3CCCCC3)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8461996452 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1526124264 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CC1CCCCC1)=O
|
|
| MCULE-2730494737 |
0.61 |
C12(CCC3(C4(CCC(CC4=CCC3(C1(CCC2([H])C(C)CCCC(C)C)[H])[H])OC(=O)CCCCCCCCCCCCCCC)C)[H])C
|
|
| MCULE-2831209997 |
0.61 |
[C@]12([H])CC[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CC=C1C[C@@H](OC(=O)CCCCCC)CC[C@]21C)=O
|
|
| MCULE-8572432727 |
0.61 |
[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(C1CCCC1)=O
|
|
| MCULE-5476020058 |
0.61 |
C12(CCC3(C4(CCC(OC(CCCCCCCCCCC)=O)CC4=CCC3(C1(CCC2C(C)CCCC(C)C)[H])[H])C)[H])C
|
|
| MCULE-7000169771 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCC)=O
|
|
| MCULE-4487426289 |
0.61 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)OC(=O)CCCCCCCCCCCCCCC)=CC3)[H])([H])CC1)C)C
|
|
| MCULE-7551134886 |
0.61 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCCCCC)=O
|
|
| MCULE-7699673107 |
0.61 |
C1(OC(=O)CCCCCCCCCCCCCCCCC)CCC2(C)C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC=C2C1
|
|
| MCULE-3632686303 |
0.61 |
[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(CCCCCCCCCCC)=O
|
|
| MCULE-4016604549 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(CCCCCC)=O
|
|
| MCULE-6654749941 |
0.61 |
[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(CCCCC)=O
|
|
| MCULE-7300055150 |
0.61 |
[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(CCCCCCCC)=O
|
|
| MCULE-7973895970 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1OC(=O)CCCCCCCCCCCCCCC
|
|
| MCULE-2808257085 |
0.61 |
C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CC=C2C1)C(OCC)=O
|
|
| MCULE-8977795489 |
0.61 |
CCCCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-3951215552 |
0.61 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-5268900721 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCC)=O
|
|
| MCULE-6943417160 |
0.61 |
C12(CC3CC(CC(C3)C1)C2)C(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C
|
|
| MCULE-1257490890 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCC)=O
|
|
| MCULE-6581533408 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCC)=O
|
|
| MCULE-8608886418 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCC)=O
|
|
| MCULE-4139907319 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCC)=O
|
|
| MCULE-5451000624 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCC)=O
|
|
| MCULE-9767686096 |
0.61 |
C[C@]12CC[C@H](OC(=O)CCCCCCCCCCCCC)CC1=CC[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-1900297968 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-5475024726 |
0.61 |
[C@@H]1(OC(=O)CCCCCCCCCCCCCCCCCCCCC)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCCC(C)C)CC3)CC=2
|
|
| MCULE-6883610361 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCCCC)=O
|
|
| MCULE-9770266464 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCC=CCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-6929994718 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-7520151391 |
0.61 |
C1CC2(C)C3CCC4(C)C(C(OC5CCCCC5)=O)CCC4C3CC=C2CC1OC(=O)C
|
|
| MCULE-5265419450 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-7313126879 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC1CCCCC1)=O
|
|
| MCULE-8252955604 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-8057071681 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCC)=O
|
|
| MCULE-9783531925 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCC)=O
|
|
| MCULE-3568637165 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-4461233711 |
0.61 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC(O)=O)=O)C1CC=C2C(C)=O
|
|
| MCULE-7271710617 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCC)=O
|
|
| MCULE-9956647861 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(C1CCCC1)=O
|
|
| MCULE-1361205448 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCC1CCCCC1)=O
|
|
| MCULE-3362097880 |
0.61 |
[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(CCCCCC)=O
|
|
| MCULE-4311810496 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCC)=O
|
|
| MCULE-7560687727 |
0.61 |
[C@@]12([H])CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C)OC(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-1675088199 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3582226231 |
0.61 |
[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(CCC1CCCCC1)=O
|
|
| MCULE-3574561675 |
0.61 |
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-6635928611 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CC(OC)=O)(CCC4C3CC=C2C1)OC(C)=O
|
|
| MCULE-3017671740 |
0.61 |
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-6004210718 |
0.61 |
C12(C)CC(O)C3C(C(C(OC)=O)CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1
|
|
| MCULE-4160347351 |
0.61 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-8024539765 |
0.61 |
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-8598300846 |
0.61 |
C1(=O)C2C(CCC(C2)(C(C)C)O1)C(O)=O
|
|
| MCULE-1261967217 |
0.61 |
[H]C12CCCCC1(C)C1CC(C3(C)CCC(C3(O)C1C(C2)OC(C)=O)=O)OC(C)=O
|
|
| MCULE-5263023354 |
0.61 |
C1(=O)OC2(CC1C(C(C2)C)C(=O)OC(C)CCCC(C)C)C
|
|
| MCULE-3144399505 |
0.61 |
[C@]12([H])C[C@H](O)[C@H](C)[C@@]1([H])COC(=O)[C@H]2CO
|
|
| MCULE-9658093169 |
0.61 |
C12(CC3C4C5C6C(C41)(C(OC)=O)C3(C(OC)=O)C5C1(CCC(=O)O1)C6)OC(=O)CC2
|
|
| MCULE-3088368043 |
0.61 |
O=C(OC1CCC(OC(CC2OCCC2)=O)CC1)CC1OCCC1
|
|
| MCULE-6058656470 |
0.61 |
C1(=O)OC2(CC1C(C(C2)C)C(=O)OC(C)CCC)C
|
|
| MCULE-5959245878 |
0.61 |
C1(=O)OC2(CC1C(C(C2)C)C(=O)OC(C)C)C
|
|
| MCULE-7305159779 |
0.61 |
C1(=O)OC2(CC1C(C(O)=O)C(C2)C)C
|
|
| MCULE-5731491995 |
0.61 |
[C@]12([H])C[C@H](O)[C@H](C)[C@@]1([H])COC(=O)[C@@H]2CO
|
|
| MCULE-8720311593 |
0.61 |
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-6598890943 |
0.61 |
C1C2C3OC(=O)C2C2C(=O)OC1C2C3
|
|
| MCULE-2794249583 |
0.61 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)C=CC
|
|
| MCULE-4780123483 |
0.61 |
C12(CCOC(C)(C)C1)OC(CC2C(OCC)=O)=O
|
|
| MCULE-2561546037 |
0.61 |
C12(CCOC(C)(C)C1)OC(CC2C(O)=O)=O
|
|
| MCULE-3653730981 |
0.61 |
O=C1OC(=O)C2(CC(C3CC3)OC2)C1
|
|
| MCULE-1524421815 |
0.61 |
C12(C(OCC)=O)CC1C1(OC2=O)CCCCC1
|
|
| MCULE-8222592837 |
0.61 |
CC1OCC2(C(=O)OC(=O)C2)CC1
|
|
| MCULE-4661795097 |
0.61 |
C1C[C@@]2(CC[C@]3(O)[C@@H](C2=C(C)C1)OC(=O)C3=C)C
|
|
| MCULE-5499634167 |
0.61 |
CC1C(=O)OC2C1CCC(O)(C)C1C2=C(C)C2C1C1C3C(O)(C)CCC4C(C)C(=O)OC4C23C(C)=C1
|
|
| MCULE-5708067201 |
0.61 |
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-2804316805 |
0.61 |
O1C(CC2C1CC=CC2)=O
|
|
| MCULE-5079538770 |
0.61 |
C1CC2(C)C3([H])CCC4(C)C([H])(C(CCCC(C)C)C)CCC4([H])C3([H])CC=C2CC1OC(CCC(=O)OCC)=O
|
|
| MCULE-2660227283 |
0.61 |
C12(C)CC=C3C(CCC4([H])CC(=O)CCC34C)C1CC(C)C2(O)C(=O)COC(C)=O
|
|
| MCULE-1665605717 |
0.61 |
[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
|
|
| MCULE-5549232456 |
0.61 |
[C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-2662745028 |
0.61 |
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
|
|
| MCULE-1889700737 |
0.61 |
[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
|
|
| MCULE-7135107425 |
0.61 |
[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
|
|
| MCULE-1871622668 |
0.61 |
CC(=C)C(=O)OC1CC2CC1C=C2
|
|
| MCULE-2597929771 |
0.61 |
O(C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)C(C)=O
|
|
| MCULE-8345937454 |
0.61 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-5546761279 |
0.61 |
C(CCC(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)(OC)=O
|
|
| MCULE-3492234187 |
0.61 |
O(C1(CCC2([H])C3([H])CCC4=CC(=O)CCC4(C)C3([H])C(O)CC12C)C(=O)CO)C(=O)CCCC
|
|
| MCULE-2307310731 |
0.61 |
[C@]1(C(=O)CO)(OC(=O)CCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C
|
|
| MCULE-5089449970 |
0.61 |
C12(C(=O)COC(C)=O)C(O1)CC1([H])C3(C([H])(CCC21C)C1(C)CCC(CC1=CC3)O)[H]
|
|
| MCULE-6440147345 |
0.61 |
O1C(C2=CCCCC2C1CCCC)=O
|
|
| MCULE-3859706810 |
0.61 |
[H][C@]12[C@@]3(CCC4[C@@](C)([C@@]3([H])[C@@H](O)C[C@]1(C)[C@](C(CO)=O)(OC(CCC)=O)CC2)CCC(=O)C=4)[H]
|
|
| MCULE-6635690519 |
0.61 |
C1(OC2(CC=C[Si](C)(C)C)CC3C4C5C6C73C1(C24)C5CC6(CC=C[Si](C)(C)C)OC7=O)=O
|
|
| MCULE-5493069742 |
0.61 |
[C@]12([C@]3([H])[C@@H](OC)OC[C@]3(C)CCC1)[C@]1([H])[C@H](O)C[C@H]3C(=C)C(=O)[C@@]1(C3)C(=O)OC2
|
|
| MCULE-2548997740 |
0.61 |
[C@]12([C@]3([H])[C@H](OC)OC[C@]3(C)CCC1)[C@]1([H])[C@H](O)C[C@H]3C(=C)C(=O)[C@@]1(C3)C(=O)OC2
|
|
| MCULE-7846274654 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CCC(O)=O)=O)[H]
|
|
| MCULE-8222265685 |
0.61 |
C1(CC23CC(OC2CCC1(O)C3)=O)/C(/C)=C\C(=O)/C=C(\C)/C
|
|
| MCULE-2284846333 |
0.61 |
[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-5041290339 |
0.61 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(CCC)=O)C(CO)=O
|
|
| MCULE-4934426493 |
0.61 |
C1(CCCCC1O)C(OCCC(C)C)=O
|
|
| MCULE-5528056272 |
0.61 |
C1(C)(COC(C)=O)C2CCC(O2)(C)C1COC(C)=O
|
|
| MCULE-2311769194 |
0.61 |
O=C(CCCCC1CCCCC1)OCC=C
|
|
| MCULE-9654628102 |
0.61 |
O(C(CCC(C)C=C)C(C)=C)C(C)=O
|
|
| MCULE-4833822866 |
0.61 |
O=C(CCC1CCCCC1)OCC=C
|
|
| MCULE-7718450791 |
0.61 |
CC(=O)OC(C=C)CCCCC
|
|
| MCULE-5828648964 |
0.61 |
C(C)(=O)OC(CCCCCCCC)C=C
|
|
| MCULE-9182352754 |
0.61 |
C1C2OC2C=CC(C(C)(C)C(=O)OC1CC(CCC)O)O
|
|
| MCULE-2566917767 |
0.61 |
C12C(O)C3CC(C)(C)CC3C(O)(C)CC=1C(=O)OC2
|
|
| MCULE-4124934247 |
0.61 |
[C@@]12([H])[C@@H](OC(=O)[C@H]1CO)C=C(CO)[C@@]2([H])CO
|
|
| MCULE-7272694532 |
0.61 |
CC(CC1(C(O)=O)C(C)(C)OCC1)=C
|
|
| MCULE-1249557418 |
0.61 |
OC12CC3(C(OCC(COC(C45CC6CC(C4)(CC(C6)C5)O)=O)=O)=O)CC(C1)CC(C3)C2
|
|
| MCULE-2740109652 |
0.61 |
[C@@H]1(CC(C[C@@H]1C(OCC)=O)=C)C(OCC)=O
|
|
| MCULE-2210122863 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(C2(O)C1)OC(C)=O)C(C)=O
|
|
| MCULE-9605632489 |
0.61 |
C12C(=O)C=C(CO)[C@]1([H])[C@H]1OC(=O)[C@H](C)[C@]1([H])[C@@H](O)CC=2C
|
|
| MCULE-4960112087 |
0.61 |
[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-5482566460 |
0.61 |
C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1OC(=O)C
|
|
| MCULE-5676948814 |
0.61 |
C(OC1COC2C(OC(=O)C=C)COC21)(=O)C=C
|
|
| MCULE-2507451013 |
0.61 |
[C@@]12(C)CC[C@@]3([H])[C@@](C)(C(=O)O)[C@@H](CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(CC[C@@]3(CC[C@@]21C)C)(C)C)OC(=O)C
|
|
| MCULE-7783153626 |
0.61 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H]
|
|
| MCULE-2969710957 |
0.61 |
C1CC2(C)C3CC=C4C5CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1OC(=O)C
|
|
| MCULE-9149239842 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1OC(=O)C
|
|
| MCULE-4551637584 |
0.61 |
C1CC2(C)C3C(OC)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1OC(=O)C
|
|
| MCULE-2982639627 |
0.61 |
[C@H]1(C[C@]2(C)C(=CC(=O)O2)C(C)(C)C1)O
|
|
| MCULE-3193343372 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(=O)C(C)=CC
|
|
| MCULE-7914276135 |
0.61 |
C1=CC2([H])CC3([H])OC(=O)C4([H])C3([H])C2([H])C1([H])C4C(O)=O
|
|
| MCULE-3605854604 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(=O)C(C)=C([H])C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7272779592 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2CCCCCCCC)C)OC(=O)C(C)=CC
|
|
| MCULE-3968820569 |
0.61 |
C1=CC2CC3OC(=O)C4C3C2C1C4C(OC)=O
|
|
| MCULE-7772391429 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(OC(C)=O)CC[C@]34C)C1CC[C@]12CCC(=O)O1
|
|
| MCULE-2501469853 |
0.61 |
C1C[C@@]2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(C[C@H](OC(=O)/C(/C)=C/C)C4=CC(=O)OC4)[C@@]3([H])[C@@H]1OC(C)=O)CO2
|
|
| MCULE-5014476622 |
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=O)CC[C@H](O)C2)O)C1COC(=O)C=1)O
|
|
| MCULE-4824233854 |
0.61 |
C1(O)C=CC(O)CCC(=O)OC(C1O)CCCCCCC
|
|
| MCULE-2103729807 |
0.61 |
C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(CCC(O)=O)=O)[H]
|
|
| MCULE-8163001276 |
0.61 |
C1CC2([C@]3(COC(C)=O)[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CC(OC(=O)/C(/C)=C/C)C4=CC(=O)OC4)[C@@]3([H])C1OC(/C(/C)=C/C)=O)CO2
|
|
| MCULE-1363593102 |
0.61 |
C(C)(=O)OC1CCC2(C)C3(C1)C(C=C1C4CCC(C(C)C=CC(C)C(C)C)C4(C)CCC12[H])O3
|
|
| MCULE-6952577518 |
0.61 |
C[C@@]12[C@](C(=O)COC(=O)CCC(=O)O)(O)CC[C@H]1[C@@H]1CCC3=CC(=O)CC[C@]3(C)[C@@H]1[C@@H](O)C2
|
|
| MCULE-7005966850 |
0.61 |
O=C(CCC(=O)OCC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@]([C@H](C2)O)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)O)O
|
|
| MCULE-3320650867 |
0.61 |
C1(CCC=C(C)CCC2C(C=C(CCC=1)C)OC(=O)C2=C)C(=O)O
|
|
| MCULE-2616985564 |
0.61 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(CCC(O)=O)=O
|
|
| MCULE-2127723525 |
0.61 |
[C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC(=O)O)O
|
|
| MCULE-6166946540 |
0.61 |
O=C1[C@H]2[C@@H]([C@H](CC[C@@]32OC3)C(C)C)C=C(C(=O)O)CO1
|
|
| MCULE-8663661247 |
0.61 |
C12C=C(C)C(O)CC3C(C)(C)C3C=C(C)C(=O)C1(OC(C)=O)CC(C)C2O
|
|
| MCULE-6421050214 |
0.61 |
C(C)(=O)OC1CCC2(C3CCC4(C)C(CCC4(C3CCC2(O)C1)[H])C(OCC)=O)C(OCC)=O
|
|
| MCULE-3489700748 |
0.61 |
CC(CC(OC1C2(CCC2)C2C1CCO2)=O)(C)C
|
|
| MCULE-3859671502 |
0.61 |
C1(=O)C(CC(CCCCC)O1)CC(O)=O
|
|
| MCULE-3730627007 |
0.61 |
[C@@]12(C)[C@]([H])([C@@]3([H])[C@]([H])(C[C@@H]1OC(=O)CCC(=O)O)[C@@]1(C)CC[C@@H](OC(CCC(=O)O)=O)C[C@@]1([H])C[C@H]3OC(=O)CCC(=O)O)CC[C@]2([H])[C@H](C)CCC(=O)OC
|
|
| MCULE-3916571670 |
0.61 |
[C@@]12(C)[C@]([H])([C@@]3([H])[C@@]([H])([C@@]4(C)CC[C@@H](OC(=O)CCC(=O)O)C[C@@]4([H])C[C@H]3O)C[C@@H]1O)CC[C@]2([H])[C@H](C)CCC(=O)OC
|
|
| MCULE-3689695678 |
0.61 |
[C@H]1(C[C@H](O)CCCCCCCCCCC)[C@H](CCCCCCCC)C(=O)O1
|
|
| MCULE-7642014287 |
0.61 |
CCCC(CC(OC1C(C)(C)C2C1CCCO2)=O)C
|
|
| MCULE-1318975036 |
0.61 |
CC(C(C12COCC1C2)O)=C
|
|
| MCULE-4945612741 |
0.61 |
CCC1C2(C(=O)OC(=O)C2)COC1
|
|
| MCULE-4970138467 |
0.61 |
C1C(OC(C)=O)C2(C)C(C(O)=O)C(O)(C)CCC2OC1C(O)(C)C
|
|
| MCULE-4862490045 |
0.61 |
C1C(OC(C(C2CCC(O2)C1O)(C)C)=O)CC(CCC)O
|
|
| MCULE-2225264833 |
0.61 |
[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@H](O)[C@H](O)C(C)[C@]4(O)[C@@H](O)C(=O)O[C@@H]([C@]34C)CC2C(O)(C)C1
|
|
| MCULE-7866984362 |
0.61 |
CC1C(C)C2(C(=O)OC(=O)C2)CO1
|
|
| MCULE-6752701082 |
0.61 |
CC(C1C2(C(=O)OC(=O)C2)COC1)C
|
|
| MCULE-7602245034 |
0.61 |
C12C3C4C5C6C3(C(OC)=O)C3(C(=O)OC(CC1)C2C34)C5C1CC=CC61
|
|
| MCULE-7005445792 |
0.61 |
C1CC2(C)C(C(C(=O)O)(C)C1)CC=C1C2CC(OC(C)=O)C(C)(C=C)C1
|
|
| MCULE-4665107833 |
0.61 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CCC1(O)C3CCC(C(C)CCC(C)C(C)C)C3(C)CC=C21
|
|
| MCULE-9210235948 |
0.61 |
C12CC=C3CC(CCC3(C)C1CCC1(C)C(CCC21)C(C)CCC(=O)OC1CC2CC1C=CC2)O
|
|
| MCULE-5593960668 |
0.61 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)OC(CC)=O
|
|
| MCULE-1153848413 |
0.61 |
C12(C)C(=O)C(=C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-2356589109 |
0.61 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(CO)=O
|
|
| MCULE-8303728984 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-5558502153 |
0.61 |
C1CC(C(=O)OCC2C(=C)C2)=CCC1
|
|
| MCULE-5099122669 |
0.61 |
[C@]12(C)C[C@@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(CO)=O)[H]
|
|
| MCULE-9514417628 |
0.61 |
C1CC2(C(CC=C(C2CC23OC2C(O)C(=C)C(O)C3O)C)C(C(O)=O)(C)C1)C
|
|
| MCULE-5595198949 |
0.61 |
[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-1278548612 |
0.61 |
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-4437204352 |
0.61 |
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-7557744061 |
0.61 |
C1CC2(C)OC2CC2C(CC3(C)OC13)OC(=O)C=2C
|
|
| MCULE-4894890520 |
0.61 |
C12(C)CCC3(C4(C)CCC(OC(CCCCCCCCCCCC=CCCCCCCCC)=O)CC4=CCC3([H])C1(CCC2C(C)CCCC(C)C)[H])[H]
|
|
| MCULE-3569475442 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9987906336 |
0.61 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)OC(=O)CCCCCCCCCCCCCCC)=CC3)[H])([H])CC1)C)C
|
|
| MCULE-1928835025 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3263354032 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7277178316 |
0.61 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-6092837871 |
0.61 |
[C@@]12([H])OC(=O)[C@@H]([C@@]1([H])CC=C(CCO)[C@@H](C)C2)C
|
|
| MCULE-1588785943 |
0.61 |
CCCCCCCCCCCC(O[C@]1(CC[C@@]2(C)C(C1)=CC[C@@]1([C@@]2(CC[C@@]2(C)[C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])[H])[H])[H])=O
|
|
| MCULE-1587965499 |
0.61 |
[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(CCCCCCCCCCCCC)=O
|
|
| MCULE-3557825189 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C3CCCC3)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1091492885 |
0.61 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-4593875674 |
0.61 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCCCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MolPort-046-697-346 |
0.61 |
CCCC(O)CC1CC2OC2\C=C\C(O)C(C)(C)C(=O)O1
|
|
| MolPort-046-764-683 |
0.61 |
CCC(=O)OCC(=O)C1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(O)[C@@H](O)C[C@]12C
|
|
| MolPort-035-706-023 |
0.61 |
OC[C@H]1[C@H]2[C@@H](OC1=O)C=C(CO)[C@H]2CO
|
|
| MolPort-001-742-234 |
0.61 |
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-021-804-735 |
0.61 |
CC1(C)CC2C(C1)C(C)(O)CC1=C(COC1=O)C2O
|
|
| MolPort-002-512-063 |
0.61 |
CCOC(=O)[C@H]1CC(=C)C[C@@H]1C(=O)OCC
|
|
| MolPort-046-761-028 |
0.61 |
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-039-338-947 |
0.61 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
|
|
| MolPort-027-853-593 |
0.61 |
CC(=C)C1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)C[C@@H](OC(C)=O)[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
|
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| MolPort-029-943-115 |
0.61 |
C[C@@H]1[C@H]2[C@H](OC1=O)[C@H]1C(CO)=CC(=O)C1=C(C)C[C@@H]2O
|
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| MolPort-003-211-156 |
0.61 |
OC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)COC(=O)C12CC3CC(CC(O)(C3)C1)C2
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| MolPort-038-386-082 |
0.61 |
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-020-005-949 |
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C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](OC(C)=O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
|
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| MolPort-020-005-947 |
0.61 |
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)[C@@]1(C)C(O)=O
|
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0.61 |
CC(=O)OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C)CCC32C)C1(C)C(O)=O
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0.61 |
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C5CCC34C)C(O)=O)C2C1C
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0.61 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)[C@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@]1(C)C(O)=O
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| MolPort-042-646-608 |
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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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0.61 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C(\C)=C/C
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| MolPort-003-712-637 |
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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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C[C@@]12C[C@@H](O)CC(C)(C)C1=CC(=O)O2
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0.61 |
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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| MolPort-035-705-801 |
0.61 |
C[C@@]12CCC[C@]34C(O[C@H](C[C@H]13)[C@@]13CC[C@@H](C[C@@H]41)C(=C)[C@@H]3O)OC2=O
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| MolPort-044-637-543 |
0.61 |
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(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@]44CCC(=O)O4)[C@@H]3CCC2=C1
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| MolPort-046-790-415 |
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C[C@]12C[C@@H](O)CC(C)(C)C1=CC(=O)O2
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|
| MolPort-001-742-311 |
0.61 |
C\C1=C/CC\C(=C\CC\C(C)=C\C2OC(=O)C(=C)C2CC1)C(O)=O
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|
| MolPort-030-042-294 |
0.61 |
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)CCC(O)=O
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0.61 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COC(=O)CCC(O)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
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| MolPort-001-739-225 |
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CCCCCCCC1OC(=O)CCC(O)\C=C\C(O)C1O
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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)C[C@H](O)[C@@H]2C1=CC(=O)OC1
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| MolPort-002-528-277 |
0.61 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
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C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(=O)CCC(O)=O
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| MolPort-044-754-160 |
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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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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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| MolPort-042-675-476 |
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CC1CC2(OC(C)=O)C(\C=C(C)\C(O)CC3C(\C=C(C)\C2=O)C3(C)C)C1O
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|
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0.61 |
CC(C)[C@H]1CC[C@@]2(CO2)[C@@H]2[C@@H]1C=C(COC2=O)C(O)=O
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|
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0.61 |
CCCC(C)CC(=O)OC1C2CCCOC2C1(C)C
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CC1(C)CCC23CC[C@]4(C)C(CCC5[C@@]6(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C6CC[C@@]45C)C2C1OC3=O
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|
| MolPort-005-932-801 |
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CCCCCCCCCCC[C@H](O)C[C@@H]1OC(=O)[C@H]1CCCCCC
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COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)CCC(O)=O
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|
| MolPort-009-758-568 |
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O.O.O.[Na+].C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]11C[C@](CO)(CC([O-])=O)CO1
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| MolPort-002-508-460 |
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CCCCCC1CC(CC(O)=O)C(=O)O1
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C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4[C@]4(O)C[C@@H](O)CC[C@]34C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
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CC(C)(C)CC(=O)OC1C2CCOC2C11CCC1
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CC(=O)OC1CC(OC2CCC(C)(O)C(C(O)=O)C12C)C(C)(C)O
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CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(CO)CC[C@@]32C)C1(C)C
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|
| MolPort-046-697-347 |
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CCCC(O)CC1CC(O)C2CCC(O2)C(C)(C)C(=O)O1
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|
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CC1[C@@H](O)[C@@H](O)C2[C@@]3(C)[C@H](O)[C@@H](O)CC(C)(O)C3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23C
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|
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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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|
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0.61 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)OC1CC2C(CC1(C)C=C)=CCC1C2(C)CCCC1(C)C(O)=O
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|
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|
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CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO
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CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C)C(=O)CO
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CC(CCC(=O)OC1CC2CC1C=CC2)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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CC1=CCC2C(C)(CCCC2(C)C(O)=O)C1CC12OC1C(O)C(=C)C(O)C2O
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CC1[C@@H]2COC[C@@]1(COC(C)=O)CC1C2=CCCC1(C)C
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CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
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CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO
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C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1\C=C\C(C)=O
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C[C@H]1C[C@@H]2OC(=O)C(=C)C2CC=C1\C=C\C(C)=O
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CC(=O)OCC1OC(OC(C)(CCC(O)C(C)=C)C2CCC3(C)C2C(O)CC2C(C)(CCC(O)=O)C(CCC32C)C(C)=C)C(O)C1O
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CC(C)(C)OC(=O)CCCCCCCCC=C
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CC1(OC(=O)C=C)C2CC3CC(C2)CC1C3
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CC12CCC3C(C)(C)CCCC3(C)C1CC(=O)O2
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CC(=C)C(=O)OCCCCCCOC(=O)C(C)=C
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CCOC(=O)CCCCC(C)=C
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CCOC(=O)CCCCCCC=C
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CCC1(CCCCC1)OC(=O)C=C
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O=C1OC[C@@H]2CCCC[C@H]12
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CCOC(=O)CCCCCC(C)=C
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|
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O=C1OCC2CCCCC12
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CCOC(=O)CCCCCC=C
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|
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C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC(=O)O2
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C[C@@]12CCC3C(C)(C)CCC[C@]3(C)[C@@H]1CC(=O)O2
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C[C@]12CCC3C(C)(C)CCC[C@]3(C)[C@H]1CC(=O)O2
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C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)C1CC(=O)O2
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C[C@@]12CCC3C(C)(C)CCC[C@]3(C)[C@H]1CC(=O)O2
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CC(C)(C)C1CCC(CC1)OC(=O)C=C
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O=C1CCC2(CCCCC2)O1
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CCOC(=O)CCCCCCC(C)=C
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OC(=O)C1C2CC3OC(=O)C1C3C2
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CCOC(=O)C(CCCCCCCCCC=C)C(=O)OCC
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CCOC(=O)C1C(C(=O)OCC)C2(CCOC(C)(C)C2)OC1=O
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COC(=O)CC[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H](CC[C@@]21C)[C@]1(C)CC[C@H](O1)C(C)(C)O)C(C)=C
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OC(=O)[C@@H]1CCO[C@H]1C=C
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CC(=O)O[C@@H]1C(=C)[C@@H]2C[C@]11[C@@H](CC2)[C@@]23CO[C@@]1(O)[C@@H](OC(C)=O)[C@@H]2C(C)(C)CC[C@H]3O
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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
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|
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0.60 |
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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0.60 |
CC(=O)OC1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@@H](CCC4(O)C3CCC2(O)C1)C1OC(=O)C=C1
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|
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CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
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C\C=C\C1OCC2(COC(C)=O)C(C)C=C(C)C1[C@@H]2C
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CC(=O)O[C@H]1CC[C@]2(C#N)[C@H]3CC[C@]4(C)[C@@H](CC[C@]4(O)C3CC[C@]2(O)C1)C1OC(=O)C=C1
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CC(=O)O[C@H]1C[C@@H](O)C(C)(C)C2C[C@@H](OC(C)=O)[C@]3(C)C(CC[C@@]4(C)C(CC=C34)C(CO)CC(O)C3OC3(C)C)[C@@]12C
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|
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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
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CCC(=O)OC[C@@]12COC(C)[C@@H](C1)C(C)=CC2C
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|
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CC1(C)CCCC2(C)C1CC(O)C1=C2C(=O)OC1
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CC1(C)CC2C=C([C@@H]3COC(=O)C(=C)[C@]23C1)C(O)=O
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CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
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CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)COC(=O)CCC(O)=O
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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
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CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)COC(=O)CCC(O)=O
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CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)CC
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C\C=C(\C)C(=O)OC1CCC2(C)C(C(O)CC3=C2C(=O)OC3)C1(C)C
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CCC(=O)OC1(CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
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CCC(=O)OCC12COC(C)C(C1)C(C)=CC2C
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CCCCC(C)CCCOC(=O)C1CCCCC1C(O)=O
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CCOC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
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CC(C)CCC(O)C1CC(CO)OC1=O
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
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CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO
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|
|
| MCULE-4618230445 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2(C1)[H])C(OC)=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-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-4121090747 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(CC)C2C(C)=O
|
|
| MCULE-1105300545 |
0.60 |
[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(CC(C)CC)=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-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-3648597514 |
0.60 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)C)=O
|
|
| MCULE-7541323970 |
0.60 |
C1C(=O)OC(CCCCCC(C(=O)C)C)C=1
|
|
| MCULE-7087866108 |
0.60 |
C1[C@H](OC([C@@H](C)CC)=O)[C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)=C[C@@H]1C
|
|
| MCULE-4325649241 |
0.60 |
C12=CC(C)CC(OC(C(C)CC)=O)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
|
|
| MCULE-9035451811 |
0.60 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC12CCC(=O)O1)[H]
|
|
| MCULE-6215028771 |
0.60 |
[C@]12([C@]([H])(CC[C@]3(C)[C@H](CC[C@@]13[H])[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(=O)CCCC)CC1=CC2)[H]
|
|
| MCULE-4910370058 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)=O
|
|
| MCULE-6563972685 |
0.60 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCC)=O
|
|
| MCULE-5701442831 |
0.60 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(C)=O
|
|
| MCULE-6419704114 |
0.60 |
CCC(C(OC1C2C(C=CC(C2CCC2OC(=O)CC(O)C2)C)=CCC1)=O)C
|
|
| MCULE-5727156363 |
0.60 |
OC(C12COCC1C2)CC=C
|
|
| MCULE-7064805050 |
0.60 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)CCC)=O
|
|
| MCULE-7819400835 |
0.60 |
O(C(=O)CC(O)CC(OC(CC(O)CC(OC(CC(O)CC(O)CCCCC)=O)CCCCC)=O)CCCCC)CC(O)C(O)C(O)C(O)CO
|
|
| MCULE-9972476176 |
0.60 |
O(CC(O)C(O)C(O)C(O)CO)C(=O)CC(CC(OC(CC(CC(O)CCCCC)O)=O)CCCCC)O
|
|
| MCULE-7583261760 |
0.60 |
C12(C)CC(O)C3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2(O)C(=O)COC(CCC([O-])=O)=O)[H].[Na+]
|
|
| MCULE-8429357063 |
0.60 |
C1(C[C@H](O)C[C@@H](CC[C@H]2[C@@H](C)C=CC3=CCC[C@H](OC([C@@H](C)CC)=O)[C@@]32[H])O1)=O
|
|
| MCULE-6532932932 |
0.60 |
C(CCC(O)C1CC(CO)OC1=O)C(C)C
|
|
| MCULE-2460567264 |
0.60 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)CCCC)=O
|
|
| MCULE-2061017881 |
0.60 |
C1(C(O)=O)=C(C)C(OC21CCC(CC2)C(C)(C)C)=O
|
|
| MCULE-6652384834 |
0.60 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC(C)CC)=O
|
|
| MCULE-9533823250 |
0.60 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-1302235961 |
0.60 |
C1(C(OCCCCCCC(C)C)=O)CCCCC1C(OCCCCCCC(C)C)=O
|
|
| MCULE-3099268900 |
0.60 |
C12CC(C)(C)CC31C(O)(CO)C(=O)OCC3C(C(O)=O)=C2
|
|
| MCULE-4385148400 |
0.60 |
OCC1=CC(C2=C(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@]21[H])=O
|
|
| MCULE-2235884727 |
0.60 |
C1=C[C@]23OC(=O)[C@@](C)([C@@]2([H])[C@H](C(O)=O)[C@]24C[C@]([H])(C(=C)C2)CC[C@]43[H])[C@H]1O
|
|
| MCULE-5494151913 |
0.60 |
C1=CC23OC(=O)C(C)(C2([H])C(C(O)=O)C24CC([H])(C(=C)C2)CCC43[H])C1O
|
|
| MCULE-5448913970 |
0.60 |
[C@@]123C=C[C@@H]([C@@](C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-8133468470 |
0.60 |
C1CC2(C)C3COC(=O)C=3C(OC)C(O)C2C(C)(C)C1
|
|
| MCULE-9013163041 |
0.60 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-2277162868 |
0.60 |
[C@@]123C=C[C@@H](C(C(=O)O1)(C)[C@@]2([H])[C@@H]([C@@]12CC([C@](C1)(O)CC[C@]23[H])=C)C(O)=O)O
|
|
| MCULE-9169992682 |
0.60 |
C123C=CC(C(C(=O)O1)(C)C2C(C12CC(C(C1)(O)CCC23)=C)C(O)=O)O
|
|
| MCULE-9630312174 |
0.60 |
C1CC2(C)CCC3(O)C(C)C(=O)OC3C2=C(C)C1
|
|
| MCULE-9925372485 |
0.60 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-6415597267 |
0.60 |
[C@]12(C)C[C@@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-4329306127 |
0.60 |
C[C@]12C[C@H](O)[C@]3([H])[C@]4(CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1)C
|
|
| MCULE-5966997792 |
0.60 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CC)=O)[H]
|
|
| MCULE-4484538949 |
0.60 |
C1C[C@]2(C)C3[C@@H](O)C[C@]4(C)[C@@](O)(C(=O)COC(CCC)=O)CCC4C3CCC2=CC1=O
|
|
| MCULE-5307843642 |
0.60 |
C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])[C@H](O)C[C@@]2(C)[C@@]3([H])CC[C@]2(O)C(COC(=O)CCC)=O)=CC(=O)C1
|
|
| MCULE-3176715940 |
0.60 |
CC1CC(C)(C)CC(OC(CC2OCCC2)=O)C=1
|
|
| MCULE-8359993163 |
0.60 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
|
|
| MCULE-3402569698 |
0.60 |
C1C2COC(=O)C2C(C(O)=O)C(C)C=1
|
|
| MCULE-1087443932 |
0.60 |
C1CC2C3C(=O)OC(=O)C3C3CCCCC3=C2CC1
|
|
| MCULE-7261521640 |
0.60 |
O=C(C1CC2C(=O)C(CCCC2)C1)OCC1COC(=O)C=1
|
|
| MCULE-5454494701 |
0.60 |
C123CCC4C(C)(CCCC4(C)C(O)=O)C1CC(C1C(OC(=O)C21)=O)C(C(C)C)=C3
|
|
| MCULE-7433867323 |
0.60 |
C1(=O)CC2(CC(=O)OC2CC1)C/C=C(\C)/CC/C=C(\C)/C
|
|
| MCULE-9103372368 |
0.60 |
C1(=O)C2C3CCC(C=C3)C2C(=O)O1
|
|
| MCULE-8776636782 |
0.60 |
C1CC23C(=O)OC(=O)C2(CCCC3)CC=1
|
|
| MCULE-2122490766 |
0.60 |
C1CC23CCCCC2(C(=O)OC3=O)C2CCCCC=12
|
|
| MCULE-3687395332 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCC(=O)OC3CCC4(C(=CCC5C4CCC4(C5CCC4C(C)CCCC(C)C)C)C3)C)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8304268118 |
0.60 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(O)=O)=O)C)=O
|
|
| MCULE-8868589151 |
0.60 |
C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-5053755296 |
0.60 |
C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1C
|
|
| 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-9860062190 |
0.60 |
OC(C1(COCC1)CC1CC=CC1)=O
|
|
| MCULE-9037199231 |
0.60 |
OC(C1(CC=CC1)CC1OCCC1)=O
|
|
| MCULE-7768798034 |
0.60 |
C(C)(=O)OC1CCC2(C)C(O)(C1)CCC1=C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21
|
|
| MCULE-7344639720 |
0.60 |
C(O[C@@H]([C@@H]1[C@H](O)[C@@H](O)CO1)CO)(=O)CCCCCCCCCCC
|
|
| MCULE-5785108605 |
0.60 |
[C@@H](OC(=O)CCCCCCCCCCCCCCCCC)(CO)[C@H]1OC[C@H](O)[C@H]1O
|
|
| MCULE-6698413544 |
0.60 |
CC1C(C(O)=O)(CC2CC=CC2)CCO1
|
|
| MCULE-3511196057 |
0.60 |
C1(=O)OC2(C(C(OCC)=O)C1C(OCC)=O)CCCC2
|
|
| MCULE-5385888311 |
0.60 |
CC1OC(CC2(C(O)=O)CC=CC2)CC1
|
|
| MCULE-5384616800 |
0.60 |
C1(COC2CCCC(O)C12)C(O)=O
|
|
| MCULE-1845236526 |
0.60 |
C1[C@@]2([H])C[C@@H](OC([C@H]([C@]3([H])CC[C@]([H])(C[C@H](OC([C@@H]([C@@]4([H])CC[C@](C[C@H](CC)OC(=O)[C@H]([C@@]5([H])O[C@]([H])(CC5)C[C@@H](CC)OC(=O)[C@H](C)[C@]([H])(O2)C1)C)([H])O4)C)=O)CC)O3)C)=O)CC
|
|
| MCULE-6689713414 |
0.60 |
C1CC(C(C(O)=O)C)OC1CC(C)OC(=O)C(C1OC(CC(O)C)CC1)C
|
|
| MCULE-2293858646 |
0.60 |
C[C@]12CC[C@]3([H])[C@]4(C[C@@H](O)[C@@H](O)C[C@]4([H])C(=O)OC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C)C
|
|
| MCULE-6764715086 |
0.60 |
[C@@]12(C)COC(=O)[C@@]1(C)CC[C@H]2C(O)=O
|
|
| MCULE-3311272069 |
0.60 |
C(O)(=O)C(C1OC(CC(OC(=O)C(C2OC(CC(OC(=O)C(C)C3OC(CC(C)OC(=O)C(C4OC(CC(O)CC)CC4)C)CC3)C)CC2)C)C)CC1)C
|
|
| MCULE-3158116515 |
0.60 |
[C@@H]1(O)C[C@@]2([C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)[C@@H](O)[C@H](O)[C@H](C(C)C)C)CC[C@@]4([H])[C@]3([H])COC(=O)[C@@]2([H])C[C@@H]1O)C
|
|
| MCULE-6638025729 |
0.60 |
C(OC(CC)CC1CCC(C(C(O)=O)C)O1)(=O)C(C1OC(CC(O)CC)CC1)C
|
|
| MCULE-8093319278 |
0.60 |
CC1(C(=O)OC(=O)C1)CC1OCCC1
|
|
| MCULE-4183673196 |
0.60 |
O=C1O[C@H](C[C@@H]2CC[C@@H]([C@H](C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@H](C)C(=O)O[C@@H](C)C[C@H]3O[C@@H](CC3)[C@H](C)C(=O)O[C@@H](C)C[C@H]3O[C@@H](CC3)[C@@H]1C)C)O2)CC
|
|
| MCULE-2171130683 |
0.60 |
C1C[C@]2([H])[C@@H](C)C(O[C@H](C)C[C@@]3([H])CC[C@@]([H])([C@H](C)C(O[C@@H](C)C[C@]4([H])CC[C@]([H])([C@@H](C)C(O[C@H](CC)C[C@@]5([H])CC[C@@]([H])([C@H](C)C(O[C@@H](C)C[C@@]1([H])O2)=O)O5)=O)O4)=O)O3)=O
|
|
| MCULE-4559726552 |
0.60 |
O1CCCC(CC=C)C1=O
|
|
| MCULE-2888816540 |
0.60 |
C12(C)COC(=O)C1(C)CCC2C(O)=O
|
|
| MCULE-9186007157 |
0.60 |
O=C1C(C2CCC(CC(OC(=O)C(C)C3OC(CC3)CC(CC)OC(=O)C(C)C3OC(CC3)CC(C)OC(=O)C(C)C3OC(CC3)CC(CC)O1)C)O2)C
|
|
| MCULE-2170818284 |
0.60 |
[C@@H]1(O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)CC[C@H]4[C@@H]3COC(=O)[C@H]2C[C@@H]1O
|
|
| MCULE-7614245346 |
0.60 |
CC[C@H]1C[C@H]2CC[C@H]([C@H](C(=O)O[C@H](CC)C[C@H]3CC[C@H](O3)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](CC)C[C@H]3CC[C@H](O3)[C@H](C)C(=O)O1)C)O2
|
|
| MCULE-4323865421 |
0.60 |
C1[C@@]2(C)[C@@]([H])(C(OC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@H]([C@H]([C@H](O)[C@H](C)C(C)C)O)C)[C@@]4(C)CC[C@]23[H])=O)C[C@H](O)[C@@H]1O
|
|
| MCULE-2875168889 |
0.60 |
C1(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C1C)=O
|
|
| MCULE-6027855908 |
0.60 |
C12(CCC(C(O)C1O)(C)C2(C)C)C(OCC)=O
|
|
| MCULE-1711527138 |
0.60 |
C1(=O)O[C@@H](C)C[C@]2([H])CC[C@@]([H])(O2)[C@@H](C)C(=O)O[C@H](C)C[C@@]2([H])CC[C@]([H])(O2)[C@H](C)C(O[C@@H](C)C[C@@]2(CC[C@@]([H])(O2)[C@@H](C)C(=O)O[C@H](C)C[C@]2(CC[C@]([H])(O2)[C@@H]1C)[H])[H])=O
|
|
| MCULE-5062466681 |
0.60 |
C(OC(C)CC1CCC(C(C(O)=O)C)O1)(=O)C(C1OC(CC(O)CC)CC1)C
|
|
| MCULE-8881216094 |
0.60 |
O=C(C1CC2C(O2)CC1)OCC1CC2C(O2)CC1
|
|
| MCULE-5225736040 |
0.60 |
C1(=O)O[C@@H](CC)C[C@]2([H])CC[C@@]([H])(O2)[C@@H](C)C(=O)O[C@H](CC)C[C@@]2([H])CC[C@]([H])(O2)[C@H](C)C(O[C@@H](C)C[C@@]2(CC[C@@]([H])(O2)[C@@H](C)C(=O)O[C@H](CC)C[C@]2(CC[C@]([H])(O2)[C@@H]1C)[H])[H])=O
|
|
| MCULE-5537477153 |
0.60 |
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-5303288459 |
0.60 |
C12C=C(C)C(=O)C1(O)CC(CO)=CC1C3C(C)(C)C3(OC(CCCCCCCCCCC)=O)CC(C)C12O
|
|
| 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-1120014260 |
0.60 |
[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-3230992952 |
0.60 |
C1CC2=CC([C@@]3(O[C@@H]3[C@]2(C)[C@H]([C@@H]1O)C)C(=C)CO)=O
|
|
| MCULE-4810985269 |
0.60 |
[C@@]12([H])OC(=O)C([C@@]1([H])CC=C(/C=C/C(=O)C)[C@@H](C)C2)=C
|
|
| MCULE-9779909061 |
0.60 |
O=C1C(=C)[C@@]2(CCC(=C3[C@@]([H])([C@@]2([H])O1)C(C)=CC3=O)C)[H]
|
|
| MCULE-2528413632 |
0.60 |
CC1C(C=CC(C)=O)=CCC2C(C(OC2C1)=O)=C
|
|
| MCULE-1194167196 |
0.60 |
C1(=O)C2CCCCC2C(C)(C)O1
|
|
| MCULE-7333814305 |
0.60 |
O=C1O[C@]2(C)CC[C@@]3([C@@](C)([C@@]2([H])C1)CCCC3(C)C)[H]
|
|
| MCULE-7828541805 |
0.60 |
C=CC(=O)OC12CC3CC(CC(C3)C1)C2
|
|
| MCULE-8945189998 |
0.60 |
CC1(OC(=O)CC1)CC1CCCCC1
|
|
| MCULE-9005471580 |
0.60 |
O(C(C(=C)C)=O)CCCCCCOC(C(=C)C)=O
|
|
| MCULE-7335721966 |
0.60 |
C=CCCCCCCCCC(=O)OC(C)(C)C
|
|
| MCULE-2524698119 |
0.60 |
O1C2(CCCCC2)CCC1=O
|
|
| MCULE-4909005807 |
0.60 |
C=C(C)CCCCCCC(=O)OCC
|
|
| MCULE-4201444924 |
0.60 |
C=CC(=O)OC1CCC(C(C)(C)C)CC1
|
|
| MCULE-3625572177 |
0.60 |
C1(=O)C2CCCCC2CO1
|
|
| MCULE-7136271034 |
0.60 |
[C@]12(C)CCCC(C)(C)[C@]1([H])CC[C@@]1(C)OC(=O)C[C@@]12[H]
|
|
| MCULE-8886396978 |
0.60 |
C=C(CCCCCC(=O)OCC)C
|
|
| MCULE-7155352281 |
0.60 |
C=C(CCCCC(=O)OCC)C
|
|
| MCULE-8539897246 |
0.60 |
C12(C)CCCC(C)(C)C1CCC1(C)OC(=O)CC12
|
|
| MCULE-7242444959 |
0.60 |
O=C1OC(C2C3CCC(CC3)C2)CC1
|
|
| MCULE-3645366510 |
0.60 |
C(OCCCCCC)(=O)C(C)=C
|
|
| MCULE-4221434758 |
0.60 |
C123CCCC1C1C45C(=O)OC67CCCC6C6C(C1C2C46C(=O)O3)C57
|
|
| MCULE-4757768221 |
0.60 |
C(C(=O)OC)C[C@]1(C)[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@@H](C(O)(C)C)O4)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C
|
|
| MCULE-7508184143 |
0.60 |
C(CCCCCCCCCC=C)(C(=O)OCC)C(=O)OCC
|
|
| MCULE-7009686667 |
0.60 |
C1(=O)OC2C3CC(C2)C(C(O)=O)C13
|
|
| MCULE-8323856650 |
0.60 |
[C@@H]12[C@@H]3C(CCC4(O[C@@H]4CC[C@]1(O2)C)C)C(C(=O)O3)C
|
|
| MCULE-9771405026 |
0.60 |
C12(CCOC(C)(C)C1)OC(C(C(OCC)=O)C2C(OCC)=O)=O
|
|
| MCULE-4464120365 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)OC(C)=O
|
|
| MCULE-7536268908 |
0.60 |
C12(COC(CC)=O)COC(C(C(C)=CC1C)C2)C
|
|
| MCULE-4601889192 |
0.60 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)OC(C)=O
|
|
| 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-6880830630 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(=O)COC(CCC(O)=O)=O)[H]
|
|
| MCULE-7276862551 |
0.60 |
[C@@]1(OC(=O)CCC)(C(=O)COC(=O)C)CC[C@@]2([H])[C@]3([H])C[C@@H](C4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)C
|
|
| MCULE-5162561663 |
0.60 |
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-7949052065 |
0.60 |
C1([C@H]2[C@@]3(C(CC(C)(C)C3)C=1)C(=C)C(=O)OC2)C(O)=O
|
|
| MCULE-8771172896 |
0.60 |
C1CC2(C)C3C(=O)OCC=3CC(O)C2C(C)(C)C1OC(=O)/C(/C)=C\C
|
|
| MCULE-2274449987 |
0.60 |
C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-7985944984 |
0.60 |
C1(C(OCCCC)=O)CCCCC1C(OCCCC)=O
|
|
| MCULE-7088876584 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-6531102317 |
0.60 |
C1(C)CC2OC(=O)C(=C)C2C(O)C=1C(C)CCCO[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1
|
|
| MCULE-2437786149 |
0.60 |
O1C(C=C)CC(C)(C)C1=O
|
|
| MCULE-8430689741 |
0.60 |
[C@@H]1(OC(=O)[C@]2(C)CCC[C@@]3(C)[C@]4([C@@]5(CC([C@@](CC4)(O[C@@H]4O[C@H](CO)[C@H]([C@H](O)[C@H]4O)O)C5)=C)CC[C@@]32[H])[H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
|
|
| MCULE-9208930385 |
0.60 |
C1(=O)OC2C(CCC(C)=CCC(O)C(C)=C2)C1=C
|
|
| MCULE-4740518260 |
0.60 |
C12=C[C@H](C)C[C@H](OC([C@@H](C)CC)=O)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
|
|
| MCULE-2780089397 |
0.60 |
C1(C)(/C=C/C(CCC(O)=O)(O)C)C2CCC(=O)OC(C)(C)C2CC1
|
|
| MCULE-7655940373 |
0.60 |
C12=CC(C)CC(OC(=O)C(C)(C)CC)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
|
|
| 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-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-9498905440 |
0.60 |
C(C)(CCC(O)C1CC(CO)OC1=O)CC
|
|
| MCULE-5661885893 |
0.60 |
CC[C@@H](C(=O)O[C@@H]1[C@@]2([H])C(C=C[C@@H]([C@@H]2CC[C@H]2OC(=O)C[C@H](O)C2)C)=CCC1)C
|
|
| MCULE-3799754175 |
0.60 |
C1CC(C)(C)C2C(C)(C1O)C1(C(COC1=O)=CC2OC(CCCCC)=O)O
|
|
| MCULE-5164495677 |
0.60 |
CC(CC(C12COCC1C2)O)=C
|
|
| MCULE-9743400889 |
0.60 |
C12C(C)C(OC1CCCC2C(OCC)=O)C
|
|
| MCULE-2565904577 |
0.60 |
C(CCCC)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-8034208082 |
0.60 |
C12CC(OC1CCCC2C(OCC)=O)C
|
|
| MCULE-2922452192 |
0.60 |
C1(CCCC2OCCC12)C(OCC)=O
|
|
| MCULE-5398943403 |
0.60 |
C12C(C)COC1CCCC2C(OCC)=O
|
|
| MCULE-4498591272 |
0.60 |
O=C(CCCCC(=O)OCC1CCC2C(O2)C1)OCC1CCC2C(O2)C1
|
|
| MCULE-3941648652 |
0.60 |
C1(C(O)=O)=C(C)C(OC21CCCCC2)=O
|
|
| MCULE-8390617062 |
0.60 |
C12=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
|
|
| MCULE-1739744430 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]12CCC(=O)O1)[H]
|
|
| MCULE-4702150704 |
0.60 |
C(CC=C)(C(=O)OCC)(C(=O)OCC)C(C)CCC
|
|
| MCULE-7432242125 |
0.60 |
CC12C3CCC4(OC5OC(CO)C(O)C(O)C5O)C(CC3(C4)CCC1C(C(OC1OC(CO)C(O)C(O)C1O)=O)(C)CCC2)=C
|
|
| MCULE-5145383615 |
0.60 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCC)=O
|
|
| MCULE-8674366228 |
0.60 |
C(C)(=O)OC1CCC2(C)C3C(CC=C2C1)C1CCC(C1CC3)C(OC1C=CC2C3CC(CC3)C12)=O
|
|
| MCULE-1891722858 |
0.60 |
C12=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
|
|
| MCULE-1899400964 |
0.60 |
C(CCC(O)C1CC(CO)OC1=O)(C)C
|
|
| MCULE-9728792876 |
0.60 |
C12(C)C(=O)C(C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-9491535728 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCC(O)=O
|
|
| MCULE-6024893415 |
0.60 |
C12(OC(C34C(OC(C3(C1=O)C1(C)C(OC(=O)/C(=C/C)/C)CC3(C(=C)C1(O4)C2OC(=O)C)CCC(=O)OC3(C)C)=O)C)=O)C
|
|
| MCULE-8370755517 |
0.60 |
O=C(CCN(C)C)O[C@@H]1[C@@H]([C@]2(O[C@](C=C)(C)CC(=O)[C@]2(O)[C@]2(C)[C@@]1(C(CC[C@@H]2O)(C)C)[H])C)OC(=O)C
|
|
| MCULE-1816798318 |
0.60 |
C12(C)CCC(C(C)(COC(C)=O)C1CCC(=C)C2CC(OC(C)=O)C1=CCOC1=O)OC(C)=O
|
|
| MCULE-3643293918 |
0.60 |
O=C1CCC2(C)C3CC(C4(C)CCC(C4C3CC(C2(C1)[H])OC(C)=O)OC(C)=O)OC(C)=O
|
|
| MCULE-8727268758 |
0.60 |
O=C1CCC2(C)C3CCC4(COC(C)=O)CC(CC4C3CC(C2(C1)[H])OC(C)=O)OC(C)=O
|
|
| MCULE-4034114050 |
0.60 |
C[C@@]12CCC[C@@](C)(C(=O)O[C@H]3[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O3)O)[C@@]1([H])CC[C@]13CC(=C)[C@](O[C@@]4([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O4)O)(CC[C@@]21[H])C3
|
|
| 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-9206020628 |
0.60 |
C1CC2=CC(=O)[C@@]3(O[C@@H]3[C@@]2([C@H]([C@@H]1OC(=O)C)C)C)C(=C)C
|
|
| MCULE-1971572264 |
0.60 |
[C@@]12(C)[C@@H](OC(C)=O)[C@@H](OC(CCN(C)C)=O)[C@]3([H])[C@@](C)(C1(O)C(=O)C[C@@](C=C)(C)O2)[C@@H](O)CCC3(C)C
|
|
| MCULE-7706016137 |
0.60 |
[Na+].[C@]12(C)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC([O-])=O)O
|
|
| MCULE-3183629646 |
0.60 |
O=C1CC2(C)C(C3COC(C=3)=O)CCC2(O)C2CCC3CC(O)CCC3(C)C21
|
|
| MCULE-6118345848 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C(CCC(C)C)=O)CCC4C3CC=C2C1
|
|
| MCULE-1809408679 |
0.60 |
CC(C[C@@H](CC(OCC1COCC1)=O)CN)C
|
|
| MCULE-3880817234 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCC(CC)=O)CCC4C3CC=C2C1
|
|
| MCULE-5339818449 |
0.60 |
C1(CCCCC1C(OCCCCOC(=O)C1CCCCC1C(O)=O)=O)C(O)=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-7379708485 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(O)=O
|
|
