| MCULE-2091190347 |
0.77 |
OC(C1(OCCC1)CC1CC=CCC1)=O
|
|
| MolPort-044-637-530 |
0.75 |
CC(C)C12CCC(C)(O1)C(O)CC\C(C)=C/CC\C(C)=C\C2
|
|
| MolPort-046-426-249 |
0.75 |
CC(C)[C@@]12CC[C@@](C)(O1)[C@@H](O)CC\C(C)=C/CC\C(C)=C\C2
|
|
| MolPort-044-754-179 |
0.75 |
CC(C)[C@]12CC[C@@](C)(O1)[C@H](O)CC\C(C)=C\CC\C(C)=C/C2
|
|
| MCULE-2186208824 |
0.75 |
C1(C)CCC(C2(C)OC(CC2)(C(C)C)CC=C(C)CCC=1)O
|
|
| MCULE-7873224349 |
0.75 |
CC1CCC(O)C2(C)OC(C(C)C)(CC2)CC=C(C)CCC=1
|
|
| MCULE-5338686414 |
0.75 |
C[C@@]12O[C@@](C(C)C)(CC=C(CCC=C(CC[C@H]1O)C)C)CC2
|
|
| MCULE-2631394897 |
0.75 |
C1(C)=CCC2(O[C@](C)(CC2)[C@H](O)CCC(C)=CCC1)C(C)C
|
|
| MolPort-046-790-507 |
0.74 |
C[C@@H]1CC(=O)C=C2C(=O)[C@H]3O[C@H]3[C@@H](C(C)(C)O)[C@@]12C
|
|
| MolPort-046-697-238 |
0.74 |
CCCC(=O)C1(C)OC(=O)C2(C)C1C=CC1C(O)C(C)CCC21
|
|
| MCULE-1684395189 |
0.74 |
C1=CC2C(C(CCC2C2(C)C1C(C)(C(CCC)=O)OC2=O)C)O
|
|
| MCULE-4986901322 |
0.74 |
C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
|
|
| MolPort-035-706-372 |
0.74 |
CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)[C@](C)(CO)[C@@H]2CC4)O1
|
|
| MCULE-9514417628 |
0.73 |
C1CC2(C(CC=C(C2CC23OC2C(O)C(=C)C(O)C3O)C)C(C(O)=O)(C)C1)C
|
|
| MCULE-5590913017 |
0.73 |
C1C(C)C2(C)CC(O)C(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MCULE-6786480650 |
0.73 |
O=C1C2CC=C3CC4(CCC3(C)C2C(O)CC1)OCCO4
|
|
| MolPort-001-739-468 |
0.73 |
CC1=CCC2C(C)(CCCC2(C)C(O)=O)C1CC12OC1C(O)C(=C)C(O)C2O
|
|
| MolPort-046-697-187 |
0.73 |
CC1CC=C2C(C)C1(C)CC(O)\C(C)=C\CCC1(C)OC1C2=O
|
|
| MolPort-044-755-244 |
0.72 |
CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(=O)C(C)(C)C)[C@@H]3CC=C2C1
|
|
| MolPort-035-706-373 |
0.72 |
CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)O1
|
|
| MolPort-006-119-261 |
0.72 |
C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-596-926 |
0.72 |
CC12CC3OC33C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-046-697-189 |
0.72 |
CC1C(O)C=C2C(C)C1(C)CC\C(C)=C\CCC1(C)OC1C2=O
|
|
| MolPort-002-534-301 |
0.72 |
C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
|
|
| MCULE-6411139095 |
0.72 |
C1C(=C)C2(C)CC(O)C(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MCULE-7639346141 |
0.72 |
C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)[C@H]1O
|
|
| MCULE-7500403231 |
0.72 |
[C@@]123[C@@]([H])(CCC4=CC(=O)CC[C@]14C)C1CC[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-1625834654 |
0.72 |
C123C(CCC4=CC(=O)CCC14C)C1CCC(O)(C(CO)=O)C1(CC2O3)C
|
|
| MCULE-3580664146 |
0.72 |
C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MCULE-4810843401 |
0.72 |
[C@]12(C)CCC3C(CC=C4CC5(OCCO5)CC[C@]34C)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-9250986602 |
0.72 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4CC5(OCCO5)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(C)=O)[H]
|
|
| MCULE-1160223618 |
0.72 |
C12(C)CCC3C(CC=C4CC5(OCCO5)CCC34C)C1CCC2(O)C(C)=O
|
|
| MCULE-9946479435 |
0.72 |
OC(C1(OCCC1)CC1CC=CC1)=O
|
|
| MolPort-001-512-554 |
0.72 |
CC(=O)C1(O)CCC2C3CC=C4CC5(CCC4(C)C3CCC12C)OCCO5
|
|
| MolPort-046-761-006 |
0.72 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
|
|
| MolPort-000-840-608 |
0.72 |
CC(=O)[C@@]1(O)CCC2C3CC=C4CC5(CC[C@]4(C)C3CC[C@]12C)OCCO5
|
|
| MolPort-002-507-116 |
0.72 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5
|
|
| MolPort-046-697-190 |
0.71 |
CC1CC(O)C2=C(C)C1(C)CC\C(C)=C\CCC1(C)OC1C2=O
|
|
| MolPort-002-800-263 |
0.71 |
O=C1C=CC2C1C1C=CC2C11OCCO1
|
|
| MCULE-8321853166 |
0.71 |
C1C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(=C2C)C1O
|
|
| MCULE-4737228014 |
0.71 |
C12(OCCO1)C1C=CC2C2C1C=CC2=O
|
|
| MCULE-6037100028 |
0.71 |
O(C1C(C=CC2(C)CC=CCC21)=O)C(C)=O
|
|
| MCULE-5455459863 |
0.71 |
[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-8874070727 |
0.71 |
C1[C@@]2(O[C@@H]2C/C(=C(/C)\C)/C(=O)CC(C)=CC1)C
|
|
| MCULE-2591985853 |
0.71 |
CC1(C(CC2CC=CCC2)=O)OCCC1
|
|
| MCULE-1292561691 |
0.71 |
CC1C(C(CC2CC=CCC2)=O)OCC1
|
|
| MCULE-2321781017 |
0.71 |
CC1OC(C(CC2CC=CCC2)=O)CC1
|
|
| MCULE-8967422657 |
0.71 |
O1C(C)(C)CCCC1(C)C(=O)C=CCC
|
|
| MolPort-019-937-060 |
0.71 |
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-046-158-426 |
0.71 |
CC(C)=C1C[C@@H]2O[C@@]2(C)CC\C=C(C)\CC1=O
|
|
| MolPort-046-153-738 |
0.71 |
CC(C)=C1C[C@H]2O[C@@]2(C)CC\C=C(C)/CC1=O
|
|
| MolPort-002-135-205 |
0.71 |
CC\C=C\C(=O)C1(C)CCCC(C)(C)O1
|
|
| MolPort-002-529-799 |
0.70 |
C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@]34C)OCCO5)[C@@H]1CCC2=O
|
|
| MolPort-002-511-271 |
0.70 |
CC(=O)C1CCC2C3CC=C4CC5(CC[C@]4(C)C3CC[C@]12C)OCCO5
|
|
| MolPort-000-692-426 |
0.70 |
CC12CCC3C(CC=C4CC5(CCC34C)OCCO5)C1CCC2=O
|
|
| MolPort-002-794-180 |
0.70 |
C[C@]12CCC3C(CC=C4CC5(CC[C@]34C)OCCO5)C1CCC2=O
|
|
| MolPort-046-684-152 |
0.70 |
CC(C)[C@@]12CC[C@@](C)(O1)[C@H](CC\C(C)=C\CC\C(C)=C\C2)OC(C)=O
|
|
| MolPort-044-637-532 |
0.70 |
CC(C)C12CCC(C)(O1)C(CC\C(C)=C/CC\C(C)=C\C2)OC(C)=O
|
|
| MolPort-044-754-178 |
0.70 |
CC(C)[C@]12CC[C@@](C)(O1)[C@@H](CC\C(C)=C\CC\C(C)=C/C2)OC(C)=O
|
|
| MCULE-7010357679 |
0.70 |
C12(C)CCC3(CC1=CCC1C2CCC2(C1CCC2=O)C)OCCO3
|
|
| MCULE-1193956374 |
0.70 |
C1(C)C(=O)[C@@H]2O[C@@H]2[C@@H](C)C=1
|
|
| MCULE-2726162135 |
0.70 |
[C@]12(C)CCC3C(CC=C4CC5(OCCO5)CC[C@]34C)C1CCC2C(C)=O
|
|
| MCULE-1183269623 |
0.70 |
C1(C)CCC(C2(C)OC(CC2)(C(C)C)CC=C(C)CCC=1)OC(C)=O
|
|
| MCULE-3110080775 |
0.70 |
C1(C)=CCC2(O[C@](C)(CC2)[C@H](OC(=O)C)CCC(C)=CCC1)C(C)C
|
|
| MCULE-4466026241 |
0.70 |
C[C@@]12O[C@@](C(C)C)(CC=C(CCC=C(CC[C@H]1OC(=O)C)C)C)CC2
|
|
| MCULE-6421717076 |
0.70 |
O=C(OC)[C@H]1[C@]2([H])[C@@]3(O[C@]3([H])C[C@]3([C@@]2([H])CC[C@]23CC(=O)CO2)C)[C@]2(CCC(=O)C=C2C1)C
|
|
| MCULE-9858855246 |
0.70 |
O=C(OC)[C@H]1[C@]2([H])[C@@]3(O[C@]3([H])C[C@]3([C@@]2([H])CC[C@]23CC(=O)CO2)C)[C@]2(CCC(=O)C=C2C1)C
|
|
| MCULE-5094181928 |
0.70 |
C(CCC1C(C2CC=C3CC4(CCC3(C)C2C(O)C1C=O)OCCO4)=O)(C)=O
|
|
| MCULE-6098209582 |
0.70 |
C12CC(C)=CCC1C1COC(O1)C2=O
|
|
| MCULE-5591099284 |
0.70 |
[C@]12(C(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)O)[H]
|
|
| MCULE-6649407342 |
0.70 |
C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)O
|
|
| MCULE-9090867563 |
0.70 |
[C@@]12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)[C@@H]1O2
|
|
| MCULE-4966336591 |
0.70 |
C12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)C1O2
|
|
| MCULE-9144922088 |
0.70 |
C(C)(C12C(C)(CC3C4CC=C5CC(O)CCC5(C)C4CCC31C)O2)=O
|
|
| MCULE-7405954364 |
0.70 |
[C@@]12(C(C)=O)O[C@]1(C)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)O
|
|
| MolPort-023-278-923 |
0.70 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CC(=O)CO2)[C@H]13
|
|
| MolPort-002-800-509 |
0.70 |
CC(C)(C)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-002-724-165 |
0.70 |
CC1=CCC2C3COC(O3)C(=O)C2C1
|
|
| MolPort-002-509-911 |
0.70 |
CC(=O)[C@@]12O[C@]1(C)CC1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-003-958-863 |
0.70 |
CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-046-596-330 |
0.70 |
CC(=O)[C@@]12CC3C4CC=C5CC(O)CC[C@]5(C)C4CC[C@]3(C)[C@@H]1O2
|
|
| MolPort-002-525-601 |
0.70 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-007-980-841 |
0.70 |
CC(=O)[C@@]12CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)[C@@H]1O2
|
|
| MolPort-002-506-867 |
0.70 |
CC(=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-000-707-481 |
0.70 |
CC(=O)[C@@]12O[C@@H]1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
|
|
| MolPort-001-512-553 |
0.70 |
CC(=O)C12OC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
|
|
| MolPort-002-527-432 |
0.70 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-039-052-652 |
0.69 |
C\C1=C/CC(C)(C)\C=C\C[C@@]2(C)O[C@H]2CC1
|
|
| MolPort-027-836-480 |
0.69 |
C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-046-697-431 |
0.69 |
CC(C)=CCC12OC1C1OC(CC1(O)CC2=O)C(C)(C)O
|
|
| MolPort-004-957-972 |
0.69 |
O=C1C2OCC(O2)C2C3CC(C=C3)C12
|
|
| MolPort-002-702-205 |
0.69 |
O=C1[C@@H]2OC[C@@H](O2)[C@H]2C3CC(C=C3)[C@@H]12
|
|
| MCULE-2804316805 |
0.69 |
O1C(CC2C1CC=CC2)=O
|
|
| MCULE-7570417588 |
0.69 |
C12(OC1C1OC(C(O)(C)C)CC1(O)CC2=O)C/C=C(\C)/C
|
|
| MCULE-6427734294 |
0.69 |
C12C(C3CC1C=C3)C1COC(O1)C2=O
|
|
| MCULE-1660597451 |
0.69 |
CC(C1=C2C[C@@H]([C@@H]3[C@@](C)([C@H]2CC1)CC[C@@H]1[C@@]3(CCC(C1(C)C)=O)C)O)(C[C@@H]([C@@H]1C(C)(C)O1)O)C
|
|
| MCULE-2246615794 |
0.69 |
C12C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C[C@@]4(CC[C@]3(C)[C@@]1(C)CCC=2[C@H](C)C[C@H](O)[C@@]1([H])C(C)(C)O1)[H]
|
|
| MCULE-4298463614 |
0.69 |
O=C1C(C)(C)[C@@]2([H])[C@]([C@]3([C@@](CC2)(C)[C@]2(C)C(=C(CC2)[C@H](C)C[C@H](O)[C@@H]2C(C)(C)O2)C[C@@H]3O)[H])(C)CC1
|
|
| MCULE-7005445792 |
0.69 |
C1CC2(C)C(C(C(=O)O)(C)C1)CC=C1C2CC(OC(C)=O)C(C)(C=C)C1
|
|
| MCULE-6607478643 |
0.69 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@H](O)[C@H](O)[C@H](C)C4C(O[C@@H]([C@]34C)[C@H](O)C2C(C)=C1)=O
|
|
| MCULE-3230992952 |
0.69 |
C1CC2=CC([C@@]3(O[C@@H]3[C@]2(C)[C@H]([C@@H]1O)C)C(=C)CO)=O
|
|
| MCULE-9618013702 |
0.69 |
O=C1C=C2C(COCC2)CC1
|
|
| MCULE-2991933231 |
0.69 |
[C@]12(C)CCC(C=C1CCC[C@@H]2OC(C)(C)C)=O
|
|
| MolPort-001-742-706 |
0.69 |
CC(=O)OC1CC2C(CC1(C)C=C)=CCC1C2(C)CCCC1(C)C(O)=O
|
|
| MolPort-019-937-063 |
0.69 |
C[C@@H]1C2C(=O)O[C@@H]3[C@H](O)C4C(C)=CC(=O)[C@@H](O)[C@]4(C)C([C@H](O)[C@@H]1O)[C@]23C
|
|
| MolPort-008-268-236 |
0.69 |
C[C@H]1[C@H](O)CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(=C)CO
|
|
| MolPort-046-420-032 |
0.69 |
O=C1CCC2COCCC2=C1
|
|
| MolPort-002-799-650 |
0.69 |
CC(C)(C)O[C@H]1CCCC2=CC(=O)CC[C@]12C
|
|
| MolPort-046-763-755 |
0.68 |
COC(=O)[C@]12CCC3(CC1=CC[C@H]1[C@H]4CCC5(OCCO5)[C@@]4(C)CC[C@@H]21)OCCO3
|
|
| MolPort-019-936-929 |
0.68 |
CC(CCC1=C(C)C(O)C(OC(C)=O)C2C(C)(C)CCCC12C)CC(O)=O
|
|
| MolPort-005-944-946 |
0.68 |
CC1CC(C\C(C)=C\C[C@H]2COC(=O)C2=C)OC1=O
|
|
| MolPort-019-937-189 |
0.68 |
CC(CCC1=C(C)C(=O)[C@@H](OC(C)=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MolPort-002-724-163 |
0.68 |
C[C@@H]1C=CC[C@@H]2[C@H]3CO[C@H](O3)C(=O)[C@H]12
|
|
| MolPort-004-958-062 |
0.68 |
C[C@@H]1C=CC[C@@H]2C3COC(O3)C(=O)[C@H]12
|
|
| MolPort-045-968-786 |
0.68 |
CC1C=CCC2C3COC(O3)C(=O)C12
|
|
| MolPort-046-596-357 |
0.68 |
CC(=O)OC1CC[C@]2(C)C3CC[C@]4(C)[C@@H]5O[C@@]5(CC4C3CC=C2C1)C(C)=O
|
|
| MolPort-010-969-193 |
0.68 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5OC45C(C)=O)C3CC=C2C1
|
|
| MolPort-027-948-624 |
0.68 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-526-404 |
0.68 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(C[C@H]5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-007-980-828 |
0.68 |
CC(=O)OC1CCC2(C)C3CCC4(C)[C@@H]5O[C@@]5(CC4C3CC=C2C1)C(C)=O
|
|
| MolPort-006-126-876 |
0.68 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MCULE-3063151480 |
0.68 |
C12=CC[C@]3(C(CCC3=O)C1CCC1CC3(OCCO3)CCC2=1)C
|
|
| MCULE-6809618026 |
0.68 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(CC4C3CC=C2C1)OC(C)=O)=O
|
|
| MCULE-8750855908 |
0.68 |
C1[C@]([H])(C/C=C(\C)/CC2CC(C)C(=O)O2)C(C(O1)=O)=C
|
|
| MCULE-1459395786 |
0.68 |
C1CC2(C)C(CCC(CC(O)=O)C)=C(C)C(O)C(OC(=O)C)C2C(C)(C)C1
|
|
| MCULE-5144743080 |
0.68 |
C12OCC(C3(C([H])(C(C)C=CC3)C1=O)[H])O2
|
|
| MCULE-3921612257 |
0.68 |
[C@H]12OC[C@H]([C@@]3([C@@]([H])([C@H](C)C=CC3)C1=O)[H])O2
|
|
| MCULE-2047280018 |
0.68 |
[C@H]12OC[C@H]([C@@]3([C@@]([H])([C@H](C)C=CC3)C1=O)[H])O2
|
|
| MCULE-2665777576 |
0.68 |
CC1C(C2C=CCCC2)C(=O)CO1
|
|
| MCULE-7217652406 |
0.68 |
C12(C(CCOC)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)O
|
|
| MCULE-3207105074 |
0.68 |
CC(=O)O[C@H](C(=O)C(C)C)C[C@@H](C)C1CC[C@@]2([C@@]3([C@]([C@H](CC=12)O)([H])[C@]1(C)[C@@](C(C(=O)CC1)(C)C)([H])CC3)C)C
|
|
| MCULE-5251838264 |
0.68 |
C1=CC2C3(OCCO3)C1C1C(=O)CC(C)C12
|
|
| MCULE-3933385900 |
0.68 |
[C@]12(C(C)=O)[C@H](O1)CC1[C@]3(C(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)OC(C)=O)[H]
|
|
| MCULE-2971649214 |
0.68 |
CC(OC1CC2C(C3C(CC=2)C2CC4C(C(=O)C)(C2(C)CC3)O4)(C)CC1)=O
|
|
| MCULE-2016791403 |
0.68 |
C(O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]5(C(C)=O)[C@@]([H])(C[C@@]4([H])[C@]3([H])CC=C2C1)O5)(=O)C
|
|
| MCULE-2095449953 |
0.68 |
C12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(C3)OC(C)=O)C1O2
|
|
| MCULE-1172054424 |
0.68 |
[C@@]12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(C3)OC(C)=O)[C@@H]1O2
|
|
| MCULE-5878030381 |
0.68 |
C12CC(COC1C(C)C)C(C=C2C)C
|
|
| MCULE-3871864328 |
0.68 |
O1C(C)(C)C2CC=C(C)C(C2)C1C(C)C
|
|
| MCULE-1184165301 |
0.68 |
C12CC(CC=C1C)COC2C1CCC(=CC1)C
|
|
| MCULE-6127095715 |
0.68 |
C1(C)=CC(C)C2C(C)C1C(CCC)OC2
|
|
| MCULE-5981693854 |
0.68 |
O1C(C)C2C(C)=CCC(C2)C1(C)C
|
|
| MCULE-7357685882 |
0.68 |
O1C2(CC(C)=C(CC2)C=O)OCC1
|
|
| MCULE-5472477242 |
0.68 |
C(C)(=O)OC1CC2=C3C4C(C5CCCC5C3C3C5CCC(C5(C)CCC3C2(C)CC1)C(OC(C1C2C3C5CCC6CCC7(C)CC(CC(=O)C)CCC7=C6C5C5(C)CC(CC(=O)C)CCC5=C3CCC2CC1)=O)=O)CC=C1CC(CCC14C)OC(C)=O
|
|
| MCULE-6632797081 |
0.68 |
C1(OC(=O)CC(C)(O)CC(=O)O)CC2(C)C3CC(O)C4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3CCC2C(C)(C)C1O
|
|
| MCULE-4246019761 |
0.68 |
C(C)(=O)OC1CC2(C3CCC4(C)C(CCC4C3CCC2=CC1=O)OC(C)=O)[H]
|
|
| MCULE-8469102313 |
0.68 |
C(C)(=O)OC1CC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2=CC1=O
|
|
| MCULE-1835452878 |
0.68 |
C(C)(=O)OC1CC2(C)C3CCC4(C)C(CCC4C3CCC2=CC1=O)=O
|
|
| MCULE-5142672857 |
0.68 |
C[C@@]12C(=O)CC[C@@]1([H])[C@@]1([H])C(C3=C(CC4(OCCO4)CC3)CC1)=CC2
|
|
| MCULE-4965445575 |
0.68 |
C12=CC[C@]3([C@@]([H])(CCC3=O)[C@]1([H])CCC1CC3(OCCO3)CCC2=1)C
|
|
| MolPort-000-744-998 |
0.68 |
CC1C=C(C)C2C(C)C1COC2C1CCC(C)=CC1
|
|
| MolPort-008-346-783 |
0.68 |
CCCC1OC[C@H]2C(C)C=C(C)C1C2C
|
|
| MolPort-001-921-991 |
0.68 |
CC1OC(C)(C)C2CC=C(C)C1C2
|
|
| MolPort-001-942-591 |
0.68 |
CC(C)C1OC(C)(C)C2CC=C(C)C1C2
|
|
| MolPort-020-180-334 |
0.68 |
CCCC1OCC2C(C)C=C(C)C1C2C
|
|
| MolPort-002-530-380 |
0.68 |
CC(C)C1OC[C@H]2C[C@@H]1C(C)=CC2C
|
|
| MolPort-002-511-699 |
0.68 |
CC1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
|
|
| MolPort-002-511-480 |
0.68 |
CC(C)C1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
|
|
| MolPort-000-703-223 |
0.68 |
CCCCCC1OCC2(CC)C(C)C1C(C)C=C2C
|
|
| MolPort-000-717-560 |
0.68 |
CC(C)C1OCC2CC1C(C)=CC2C
|
|
| MolPort-002-511-551 |
0.68 |
CC1=CCC(CC1)C1OC[C@@H]2CC=C(C)[C@H]1C2
|
|
| MolPort-002-512-730 |
0.68 |
CCCC1OC(C)(C)[C@@H]2CC=C(C)[C@H]1C2
|
|
| MolPort-000-724-481 |
0.68 |
CC1=CCC(CC1)C1OCC2CC=C(C)C1C2
|
|
| MolPort-002-508-718 |
0.68 |
CC1CC(C)=CCC1C1OC[C@@H]2CC1C(C)=CC2C
|
|
| MolPort-002-511-717 |
0.68 |
CC1C=C(C)[C@H]2C(C)[C@@H]1COC2C1CCC(C)=CC1
|
|
| MolPort-002-509-403 |
0.68 |
CC(C)C1OC[C@@H]2CC=C(C)[C@H]1C2
|
|
| MolPort-006-668-378 |
0.68 |
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CC(O)C12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3
|
|
| MolPort-002-510-681 |
0.67 |
C[C@]12CC=C3C(CCC4=C3CCC3(C4)OCCO3)C1CCC2=O
|
|
| MolPort-020-006-046 |
0.67 |
C[C@]12CC=C3[C@@H](CCC4=C3CCC3(C4)OCCO3)[C@@H]1CCC2=O
|
|
| MolPort-019-937-337 |
0.67 |
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-019-937-059 |
0.67 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2CC1=O
|
|
| MolPort-039-338-915 |
0.67 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)[C@H](O)C(=O)C=C(C)C2CC1=O
|
|
| MolPort-046-763-074 |
0.67 |
CCC(=O)OCC(=O)C1(OC(=O)CC)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]33O[C@H]3C[C@]12C
|
|
| MolPort-023-274-323 |
0.67 |
C[C@H]1[C@@H](CCC2=CC(=O)[C@@]3(O[C@@H]3[C@]12C)C(C)=C)OC(C)=O
|
|
| MCULE-4212655398 |
0.67 |
C1=CC2C(OC(C)=O)C3OC(=O)C4([H])C1C2C34
|
|
| MCULE-7060204243 |
0.67 |
CC1C(CCC2CCCCC=2)C(=O)CO1
|
|
| MCULE-8374344586 |
0.67 |
O=C1C(CCC2CCCCC=2)COC1
|
|
| MCULE-5886720027 |
0.67 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(COC(C)=O)=O
|
|
| MCULE-1327799211 |
0.67 |
C12C3C=CC4C(=O)OC3C1C=CC24
|
|
| MCULE-5086433803 |
0.67 |
CC1[C@@H]2CC([C@@]3([C@@H]([C@@]2(C)[C@H](O)C(=O)C=1)[C@@H](O)[C@H]1OC(=O)[C@@H]3[C@H]1C)C)=O
|
|
| MCULE-7942598042 |
0.67 |
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 |
0.67 |
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-6263626972 |
0.67 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C[C@@]2([H])C(C)=C1
|
|
| MCULE-9206020628 |
0.67 |
C1CC2=CC(=O)[C@@]3(O[C@@H]3[C@@]2([C@H]([C@@H]1OC(=O)C)C)C)C(=C)C
|
|
| MCULE-2555944797 |
0.67 |
CC1C(C2C=CCCCCC2)C(=O)CO1
|
|
| MCULE-7472025598 |
0.67 |
C12(C(CCOC)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)OC(C)=O
|
|
| MCULE-8740503707 |
0.67 |
O=C1C2(CC=C)C(C3CC=C4CC5(CCC4(C)C3C(C2)O1)OCCO5)=O
|
|
| MCULE-8693881242 |
0.67 |
C12(C3(C4[C@@]5([H])OC(=O)C(=C)C5CC[C@@](O)(C4(C1)C=C3)C)C)C(O[C@@]1([H])C2C[C@@H](OC(=O)C)[C@](O)(C)C2C1C(C)=CC2)=O
|
|
| MCULE-5462014053 |
0.67 |
C1(C)=CC(C)C2C(C)C1C1(CCCC1)OC2
|
|
| MCULE-8451955222 |
0.67 |
[C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C2[C@H](C)C1
|
|
| MCULE-9565601037 |
0.67 |
C12CC(OCCO)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC=2
|
|
| MolPort-046-765-474 |
0.67 |
C[C@]12CC[C@]34OC(=O)[C@H](CC5=CC(=O)CC[C@]35C)C4[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-046-067-692 |
0.67 |
CC1C=C(C)C2[C@H](C)C1COC21CCCC1
|
|
| MolPort-006-393-951 |
0.67 |
[K+].COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]2(O)CCC([O-])=O)[C@H]13
|
|
| MolPort-000-744-313 |
0.67 |
CC1C=C(C)C2C(C)C1COC21CCCC1
|
|
| MolPort-046-426-267 |
0.67 |
CO[C@H]1C[C@H]2C=C[C@H]3[C@H]4O[C@@]2([C@@H]3[C@H](O)[C@@H](C)[C@H]4O)\C(C)=C/[C@@H](C)[C@H](OC1=O)[C@@H](C)O
|
|
| MolPort-039-338-559 |
0.67 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)[C@H](O)[C@@H](O)C[C@@H](C)C2=CC1=O
|
|
| MolPort-019-937-058 |
0.66 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)[C@H](O)C(=O)C=C(C)[C@@H]2[C@@H](O)C1=O
|
|
| MolPort-046-158-407 |
0.66 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
|
|
| MolPort-002-841-867 |
0.66 |
CC(C)CCCC(C)[C@H]1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OC(C)(C)C
|
|
| MolPort-035-706-432 |
0.66 |
C[C@@]12CC[C@H]3C(=CC[C@H]4C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)CC[C@H]2[C@H]1COC(C)(C)[C@@H](O)[C@H](O)C1
|
|
| MolPort-001-937-581 |
0.66 |
CCCCCC1OCC2(CO)C(C)C=C(C)C1C2C
|
|
| MolPort-002-509-363 |
0.66 |
CC1=CC[C@]2(CO)COC([C@H]1C2)C(C)(C)CO
|
|
| MolPort-001-937-580 |
0.66 |
CCCC1OCC2(CO)C(C)C=C(C)C1C2C
|
|
| MolPort-000-743-884 |
0.66 |
CC1OCC2(CO)C(C)C=C(C)C1C2C
|
|
| MolPort-002-512-157 |
0.66 |
CC1OC[C@]2(CO)C(C)C=C(C)[C@@H]1C2C
|
|
| MolPort-002-509-147 |
0.66 |
CCCCC1OC[C@@]2(CO)C(C)C=C(C)C1[C@H]2C
|
|
| MolPort-045-901-798 |
0.66 |
CC1OCC2(CO)CC1C(C)=CC2C
|
|
| MolPort-045-902-993 |
0.66 |
CC1C=C(C)C2COCC1(CO)C2C
|
|
| MolPort-002-511-690 |
0.66 |
CCCCCC1OC[C@]2(CO)C(C)C=C(C)[C@H]1C2C
|
|
| MolPort-044-721-480 |
0.66 |
CC1OCC2(CO)CC=C(C)C1C2
|
|
| MolPort-002-511-537 |
0.66 |
CC1C=C(C)[C@@H]2COC[C@@]1(CO)C2C
|
|
| MolPort-002-131-802 |
0.66 |
CC1=CCC2(CO)COC(C1C2)C(C)(C)CO
|
|
| MolPort-002-511-500 |
0.66 |
CCCC1OC[C@]2(CO)C(C)C=C(C)[C@H]1C2C
|
|
| MolPort-046-067-721 |
0.66 |
CC1OCC2(CO)C(C)C=C(C)C1[C@@H]2C
|
|
| MolPort-046-067-708 |
0.66 |
CC(C)C1OCC2(CO)C(C)C=C(C)C1[C@H]2C
|
|
| MolPort-001-937-577 |
0.66 |
CCCCCCC1OCC2(CO)C(C)C=C(C)C1C2C
|
|
| MolPort-002-509-925 |
0.66 |
CC1OC[C@]2(CO)CC=C(C)[C@H]1C2
|
|
| MolPort-002-511-638 |
0.66 |
CCCCCCC1OC[C@]2(CO)C(C)C=C(C)[C@H]1C2C
|
|
| MolPort-002-511-650 |
0.66 |
CC1OC[C@@]2(CO)C[C@@H]1C(C)=CC2C
|
|
| MolPort-044-722-443 |
0.66 |
CC(C)C1OCC2(CO)C(C)C=C(C)C1C2C
|
|
| MCULE-1897292950 |
0.66 |
C1(=O)[C@@H](O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)[C@H](O)[C@@]2([H])C(C)=C1
|
|
| MCULE-3295016164 |
0.66 |
O1CCOC21C1(C)C3C(C=CC4C3C3C5(C6(OCCO6)C(C)(C(C)=C5C)C34)C)C2(C)C(C)=C1C
|
|
| MCULE-5699937164 |
0.66 |
O=C(C1OCCOC1)CC1CC=CCC1
|
|
| MCULE-6962333105 |
0.66 |
CCC1OCC(C2CCCCC=2)(O)C1
|
|
| MCULE-2661732195 |
0.66 |
C12(CO)COC(C(C(C)=CC1C)C2C)CCC
|
|
| MCULE-5419231657 |
0.66 |
C12(CO)COC(C(C(C)=CC1C)C2C)C(C)C
|
|
| MCULE-8351989618 |
0.66 |
C12(CO)COC(C(C(C)=CC1C)C2C)C
|
|
| MCULE-4079492365 |
0.66 |
C12(CO)COCC(C(C)=CC1C)C2C
|
|
| MCULE-3321159180 |
0.66 |
C12(CO)COC(C(C(C)=CC1C)C2C)CCCCCC
|
|
| MCULE-8309792579 |
0.66 |
C12C(C)OCC(CO)(CC=C1C)C2
|
|
| MCULE-2093490960 |
0.66 |
C12(CO)COC(C(C(C)=CC1C)C2)C
|
|
| MCULE-2897450703 |
0.66 |
C1(C(C)(C)CO)OCC2(CC1C(C)=CC2)CO
|
|
| MCULE-7144382664 |
0.66 |
[C@H]12C(C)OC[C@](CO)(CC=C1C)C2
|
|
| MCULE-6789182985 |
0.66 |
[C@]12(CO)COC(C(C(C)=CC1C)[C@H]2C)CCCC
|
|
| MCULE-6070697606 |
0.66 |
C12(CO)COC(C(C(C)=CC1C)C2C)CCCCC
|
|
| MCULE-1935435552 |
0.66 |
O=C1C2(C3CC(C4(C(CCC4C4C5OC(=O)C(O)(C)C(C)(C5)C4)C3C3OC3C2(CC=C1)O)C)=O)C
|
|
| MCULE-8198401941 |
0.66 |
C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2=C)=C1
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|
| MCULE-3608909089 |
0.66 |
O(C(C(C)(C)CC)=O)[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)O)O)O)[C@@H]12
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| MCULE-7414282746 |
0.66 |
C(=O)(C(C)CC)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12
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|
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0.66 |
[C@]12([H])C(C=C[C@H](C)[C@@H]1CC[C@@H](O)C[C@@H](O)CC([O-])=O)=C[C@H](C)C[C@@H]2OC(=O)[C@@H](C)CC
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| MCULE-8583685611 |
0.66 |
C1[C@H](OC(C(CC)C)=O)[C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)O)=CC1
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| MCULE-2182894320 |
0.66 |
CC(OC(CCC(C(O)(C1C2(C)CC(C3(C)C4CC(O)C(O)C(C)(C)C4=CCC3C2(C)CC1O)=O)C)=O)(C)C)=O
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0.66 |
[C@@]12(C)C[C@H]([C@]([H])([C@@](C)(O)C(CCC(C)(C)OC(C)=O)=O)[C@@]1(C)CC(=O)[C@@]1(C)[C@]3(C(C(C)(C)[C@@H]([C@@H](O)C3)O)=CC[C@]12[H])[H])O
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|
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0.66 |
C1=CC(OC(C(O)CCCCC)C1)CCCCCCC(=O)O
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| MCULE-6499922066 |
0.66 |
C12C(=O)C3C4CC(C=C4)C3C(=O)C1O2
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| MCULE-3687395332 |
0.66 |
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
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| MCULE-1095043105 |
0.66 |
C12(C)C(=O)C3C4CC(C=C4)C3C(=O)C1O2
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|
| MCULE-8131321980 |
0.66 |
C1(=C[C@]2([H])[C@H](C)C(C)=CC32[C@]1(COC(=O)[C@@]3(CO)O)[H])C(O)=O
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CC12CC(OC(=O)C1(C)O)C(C2)C1CCC2C3C4OC4C4(O)CC=CC(=O)C4(C)C3CC(=O)C12C
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[NH4+].[2H]C([2H])([2H])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)CC([O-])=O)[C@@H]12)C([2H])([2H])[2H]
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CCC(C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
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C[C@@H]1C[C@H](O[C@H]2C[C@@]3(C)C(C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)=C12)[C@@H](O)C(C)=C
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CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C12
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O=C1C2OC2C(=O)C2C3CC(C=C3)C12
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CC12OC1C(=O)C1C3CC(C=C3)C1C2=O
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CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(O)C4(C)C)C3(C)C(=O)CC12C
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C[C@H](CCC(O)=O)C[C@H](C)C[C@H](C)C(=O)CC(=O)[C@H](C)C[C@H](C)C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@](C)(O1)[C@@H](C)O
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C[C@H]1[C@H]2C=C([C@@H]3COC(=O)[C@](O)(CO)C23C=C1C)C(O)=O
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C[C@]12CCC3[C@@H](CC=C4CC5(CC[C@]34C)OCCO5)C1CC[C@@]21CCC(=O)O1
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C[C@]12CCC3C(CC=C4CC5(CC[C@]34C)OCCO5)C1CC[C@@]21CCC(=O)O1
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(=O)OC4CC5CCC4C5)C3CC=C2C1
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CCCCCCC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=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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CCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
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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)CCCCCCC
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCCC
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CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C(C)=O)C3CC=C2C1
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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)C1CCCC1
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CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C12CC3CC(CC(C3)C1)C2
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCCCCCC
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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)CCC1CCCCC1
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C[C@@H]1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O)OC(C)=O
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CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3CC=C2C1
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CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@H]4[C@@H]3CC=C2C1
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CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC1CCCCC1
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CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC[C@@H](CC)C(C)C
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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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CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1CCCC1
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CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCCCCC
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CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCCCCC
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CC1C=C(C)[C@@H]2C(C)[C@@]1(CO)COC2C=C
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CC[C@]4(O)C(C)=O)C3CC=C2C1
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0.65 |
CCCCCCCC\C=C\CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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0.65 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC1CCCCC1
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| MolPort-046-594-655 |
0.65 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C12CC3CC(CC(C3)C1)C2
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0.65 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC1CCCCC1
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0.65 |
CCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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0.65 |
C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O)OC(C)=O
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|
| MolPort-003-855-530 |
0.65 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCCC
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0.65 |
CCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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| MolPort-002-501-655 |
0.65 |
CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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|
| MolPort-003-855-514 |
0.65 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)C1CCCC1
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|
| MolPort-002-501-660 |
0.65 |
CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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|
| MolPort-003-855-540 |
0.65 |
CCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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|
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CCCCCCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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|
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0.65 |
CCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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|
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0.65 |
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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0.65 |
CCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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0.65 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(O)C(C)=O)[C@@H]3CC=C2C1
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CCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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0.65 |
CCCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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CCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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CC1C=C(C)C2C(C)C1(CO)COC2C=C
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CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCC4C3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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CCCCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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CCCCCCCCCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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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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CCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O)OC(C)=O
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CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCC1CCCCC1
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC1CCCCC1
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CCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)C3CC[C@]4(C)C(CCCCCCCC)CCC4C3CC=C2C1
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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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CC(C)(O)C1OC1C1=CC(=O)C2(C)OC2C1O
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| MCULE-6277226641 |
0.65 |
[C@]12(C)CCC3[C@@]([H])(CC=C4CC5(OCCO5)CC[C@]34C)C1CC[C@]12CCC(=O)O1
|
|
| MCULE-4463171772 |
0.65 |
CC1CCC2(OC(=O)CC2=C)CC=1
|
|
| MCULE-3402569698 |
0.65 |
C1C2COC(=O)C2C(C(O)=O)C(C)C=1
|
|
| MCULE-9460650239 |
0.65 |
C(CC)(=O)OC1C2C3(C)CCC4(CC3=CCC2C(O)C(CO)(CC=C)C1)OCCO4
|
|
| MCULE-2831209997 |
0.65 |
[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-6883610361 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCCCC)=O
|
|
| MCULE-6092837871 |
0.65 |
[C@@]12([H])OC(=O)[C@@H]([C@@]1([H])CC=C(CCO)[C@@H](C)C2)C
|
|
| MCULE-6594306024 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC3CCCCC3)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9987906336 |
0.65 |
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-7973895970 |
0.65 |
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-9770266464 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCC=CCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3568637165 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-4759733755 |
0.65 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](CC[C@]34C)OC(C)=O)C1C[C@@H](C)[C@]2(O)C(C)=O
|
|
| MCULE-7699673107 |
0.65 |
C1(OC(=O)CCCCCCCCCCCCCCCCC)CCC2(C)C3CCC4(C)C(C(CCCC(C)C)C)CCC4C3CC=C2C1
|
|
| MCULE-1675088199 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-5475024726 |
0.65 |
[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-4311810496 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCC)=O
|
|
| MCULE-5476020058 |
0.65 |
C12(CCC3(C4(CCC(OC(CCCCCCCCCCC)=O)CC4=CCC3(C1(CCC2C(C)CCCC(C)C)[H])[H])C)[H])C
|
|
| MCULE-4593875674 |
0.65 |
[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
|
|
| MCULE-7277178316 |
0.65 |
[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-8572432727 |
0.65 |
[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-7300055150 |
0.65 |
[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-6654749941 |
0.65 |
[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-7271710617 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCC)=O
|
|
| MCULE-6929994718 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-7572819806 |
0.65 |
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-1588785943 |
0.65 |
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-3632686303 |
0.65 |
[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-3951215552 |
0.65 |
[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-8977795489 |
0.65 |
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-3582226231 |
0.65 |
[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-1776399715 |
0.65 |
C12(CO)COC(C(C(C)=CC1C)C2C)C=C
|
|
| MCULE-3362097880 |
0.65 |
[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-8252955604 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-4894890520 |
0.65 |
C12(C)CCC3(C4(C)CCC(OC(CCCCCCCCCCCC=CCCCCCCCC)=O)CC4=CCC3([H])C1(CCC2C(C)CCCC(C)C)[H])[H]
|
|
| MCULE-7551134886 |
0.65 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCCCCC)=O
|
|
| MCULE-4487426289 |
0.65 |
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-4016604549 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(CCCCCC)=O
|
|
| MCULE-1361205448 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCC1CCCCC1)=O
|
|
| MCULE-1587965499 |
0.65 |
[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-8816644358 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-1928835025 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-1286036245 |
0.65 |
[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-9956647861 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(C1CCCC1)=O
|
|
| MCULE-6785867509 |
0.65 |
[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-6943417160 |
0.65 |
C12(CC3CC(CC(C3)C1)C2)C(=O)OC1CCC2(C(=CCC3C2CCC2(C3CCC2CCCCCCCC)C)C1)C
|
|
| MCULE-3263354032 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8057071681 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCC)=O
|
|
| MCULE-3557825189 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C3CCCC3)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-2808257085 |
0.65 |
C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CC=C2C1)C(OCC)=O
|
|
| MCULE-7000169771 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCC)=O
|
|
| MCULE-7560687727 |
0.65 |
[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-2887956476 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2(O)C(C)=O
|
|
| MCULE-9543309945 |
0.65 |
C12(C)CCC3C4(C)CCC(OC(=O)C)CC4=CCC3C1CCC2C(=O)OC1CC2CCC1C2
|
|
| MCULE-1526124264 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CC1CCCCC1)=O
|
|
| MCULE-2730494737 |
0.65 |
C12(CCC3(C4(CCC(CC4=CCC3(C1(CCC2([H])C(C)CCCC(C)C)[H])[H])OC(=O)CCCCCCCCCCCCCCC)C)[H])C
|
|
| MCULE-5268900721 |
0.65 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCCCCC)=O
|
|
| MCULE-1091492885 |
0.65 |
[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-1257490890 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCC)=O
|
|
| MCULE-5520472136 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)C2(O)C(C)=O
|
|
| MCULE-7520151391 |
0.65 |
C1CC2(C)C3CCC4(C)C(C(OC5CCCCC5)=O)CCC4C3CC=C2CC1OC(=O)C
|
|
| MCULE-8461996452 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-7313126879 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC1CCCCC1)=O
|
|
| MCULE-3569475442 |
0.65 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCCCCCCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-5265419450 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCCCC)=O
|
|
| MCULE-9767686096 |
0.65 |
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 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCCC)=O
|
|
| MCULE-5451000624 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCCC)=O
|
|
| MCULE-4139907319 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCCC)=O
|
|
| MCULE-8608886418 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCCC)=O
|
|
| MCULE-9783531925 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCCC)=O
|
|
| MCULE-6581533408 |
0.65 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCCCC)=O
|
|
| MCULE-4475886785 |
0.65 |
O=C1C([C@H](/C=C(\C)/C)O)=C[C@@H](O)[C@@]2([H])[C@@]1(O2)[H]
|
|
| MCULE-8124059910 |
0.65 |
C1(C(O)C2OC2(C)C(C=1)=O)C1OC1C(O)(C)C
|
|
| MCULE-7563615671 |
0.65 |
CC1OC(C(CC2CC=CC2)=O)CC1
|
|
| MCULE-6196184522 |
0.65 |
CCOCC1(C2C=CC(C2)C1)O
|
|
| MCULE-8850033734 |
0.65 |
CC(OCC1(C2C=CC(C2)C1)O)C
|
|
| MCULE-1981205050 |
0.65 |
CC1C2CC3OC(=O)C(O)C4(O)C53COC4(C)C(O)C(O)C5C2(C)C(O)C(=O)C=1
|
|
| MCULE-7462445595 |
0.65 |
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-8546117938 |
0.65 |
[C@]12([H])C(C=C[C@H](C)[C@@H]1CC[C@@H](O)C[C@@H](O)CC([O-])=O)=C[C@H](C)C[C@@H]2OC(=O)[C@@H](C)CC.[Na+]
|
|
| MCULE-4800012179 |
0.65 |
O=C1CCC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2=C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-7139024966 |
0.65 |
[Na+].O=C(C[C@@H](C[C@@H](CC[C@@H]1[C@]2([H])C(=C[C@@H](C[C@@H]2OC(=O)C(CC)(C)C)C)C=C[C@@H]1C)O)O)[O-]
|
|
| MCULE-2074166404 |
0.65 |
C12C3C1C=CC1C(=O)OC2C1C=C3
|
|
| MCULE-5515322675 |
0.65 |
C12(C(CC)=O)C3CC(C=C3)C1C(C1OC12)=O
|
|
| MCULE-1594866763 |
0.65 |
[C@@H]12OC1(C)CC(=O)/C(=C(/C)\C)/C[C@@H]1O[C@]1(C)CC2
|
|
| MCULE-1941485160 |
0.65 |
CC1C(C)C(C2CCCCC=2)(O)CO1
|
|
| MCULE-8477763994 |
0.65 |
CC1C(C2CCCCC=2)(O)COC1
|
|
| MCULE-5919392305 |
0.65 |
CCC1C(C2CCCCC=2)(O)COC1
|
|
| MCULE-4466871655 |
0.65 |
C12(C3CC=CC1CC3)OCCO2
|
|
| MCULE-7034575967 |
0.65 |
[C@]12(C(C)(O)CC(OCC)=O)[C@H](O1)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)OC(C)=O
|
|
| MCULE-9283085637 |
0.65 |
O1CC2C(C1)C=CCCCCCCCC2
|
|
| MCULE-2790120205 |
0.65 |
O1C2(CCC=CC2)CCC1
|
|
| MCULE-3991113418 |
0.65 |
O1C(CCC)C(O)C(O)C=CCCC(O)C1=O
|
|
| MCULE-1950814728 |
0.65 |
C1[C@@H](O)C2[C@@H](C)[C@@]3([H])OC(=O)C(=C)[C@@]3([H])CC2=C(C)C1
|
|
| MCULE-5332478343 |
0.65 |
C1C2C(=O)OC(=O)C2C(C)=CC1C1CC(=O)OC1=O
|
|
| MCULE-5027830845 |
0.65 |
C1CC2(C)C3C(=O)C4(OC(C)C5C4(C)C(O)(C(=O)C5)C3CC=C2CC1OC1C(O)C(OC)C(O)C(C)O1)O
|
|
| MolPort-046-690-963 |
0.65 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)OC)[C@@H]12
|
|
| MolPort-003-848-427 |
0.65 |
[Na+].CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-003-848-428 |
0.65 |
[Na+].[2H]C([2H])([2H])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)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-196-931 |
0.65 |
[Na+].CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC([O-])=O)C12
|
|
| MolPort-046-689-701 |
0.65 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)C[C@@H]3O[C@]23[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-046-690-532 |
0.65 |
[Na+].CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-003-800-383 |
0.65 |
CCC(=O)C12C3OC3C(=O)C1C1CC2C=C1
|
|
| MolPort-044-183-181 |
0.65 |
CCCCC[C@@H](O)\C=C\[C@@H]1C[C@@H](O)[C@H]2OC(=O)C[C@@H]12
|
|
| MolPort-039-052-478 |
0.65 |
CC(C)=C1C[C@@H]2O[C@]2(C)CC[C@@H]2O[C@@]2(C)CC1=O
|
|
| MolPort-039-338-712 |
0.65 |
C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-002-514-788 |
0.65 |
CCOC(=O)CC(C)(O)[C@@]12O[C@@H]1CC1C3CC=C4CC(CC[C@]4(C)C3CC[C@]21C)OC(C)=O
|
|
| MolPort-046-765-391 |
0.65 |
C[C@]12C[C@H]3O[C@]33[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
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|
| MolPort-001-917-577 |
0.65 |
C1OCC2\C=C\CCCCCCCCC12
|
|
| MolPort-028-746-698 |
0.65 |
C1COC2(C1)CCC=CC2
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| MolPort-006-137-931 |
0.65 |
CC1=CC(CC2C1C(=O)OC2=O)C1CC(=O)OC1=O
|
|
| MolPort-023-277-853 |
0.65 |
CC1=CC2C(CC1)C(=O)OC2=O
|
|
| MolPort-005-944-498 |
0.65 |
CCCC1OC(=O)C(O)CC\C=C\C(O)C1O
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|
| MolPort-046-790-345 |
0.65 |
CC1=C2C[C@H]3[C@@H](C[C@@]2(C)[C@H](O)CC1)OC(=O)C3=C
|
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| MolPort-046-697-223 |
0.64 |
CC1=CCC2C(C)(C)C(O)CCC2(C)C1CC12OC1C(O)C(CO)=CC2O
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CC1=CCC2C(C)(C)CCCC2(C)C1CC12OC1C(O)C(CO)=CC2O
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| MolPort-039-052-375 |
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C[C@H](C[C@H](O)[C@@H](OC(C)=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
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| MolPort-001-739-466 |
0.64 |
CC1=CCC2C(C)(CO)CCCC2(C)C1CC12OC1C(O)C(=C)C(O)C2O
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0.64 |
CC1CCC2C(CC=C3CC(CC[C@]23C)OC(C)=O)C1=O
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| MolPort-035-678-160 |
0.64 |
O=C1C2COCC1C=CC2
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CC(CCC(=O)OC1CC2CC1C=CC2)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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| MolPort-021-804-541 |
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CC(=O)OC1C(O)C=C(C)C2CC3C(CC12C)OC(=O)C3=C
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|
| MolPort-035-394-839 |
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COC(=O)C1CC2=CC(=O)CCC2(C)C23OC2CC2(C)C(CCC22CCC(=O)O2)C13
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|
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COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
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| MolPort-046-764-683 |
0.64 |
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
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| MolPort-006-393-950 |
0.64 |
[2H]C([2H])([2H])OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13
|
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0.64 |
CC(C)(O)[C@@H]1OC[C@@H](C[C@H]1O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
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|
| MolPort-046-597-642 |
0.64 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC5OC(=O)[C@@](C)(OC(C)=O)C45)C3CC=C2C1
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|
| MolPort-042-675-528 |
0.64 |
CC(C)(O)C1OCC(CC1O)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C
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|
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0.64 |
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5OC(=O)[C@@](C)(OC(C)=O)[C@H]45)[C@@H]3CC=C2C1
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| MolPort-006-167-612 |
0.64 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23OC2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)C13
|
|
| MolPort-038-386-662 |
0.64 |
CC(=O)OC1CC(OC2CCC(C)=C(C=O)C12C)C(C)(C)O
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|
| MolPort-042-683-898 |
0.64 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)C13
|
|
| MolPort-002-507-138 |
0.64 |
C[C@@H]1C[C@H]2C3CCC4=CC(=O)C=C[C@]4(C)[C@]33O[C@@H]3C[C@]2(C)[C@@]1(O)C(=O)CO
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| MolPort-002-530-525 |
0.64 |
C[C@]12C[C@@H]3O[C@]33[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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0.64 |
CC1CC2C3CCC4=CC(=O)C=CC4(C)C33OC3CC2(C)C1(O)C(=O)CO
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|
| MolPort-002-527-667 |
0.64 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]33O[C@@H]3C[C@]2(C)[C@@]1(O)C(=O)CO
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| MolPort-046-765-419 |
0.64 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=CC4(C)[C@]33O[C@H]3C[C@]2(C)[C@]1(O)C(=O)CO
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0.64 |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]2(C)[C@@]1(O)C(=O)CO
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| MolPort-003-986-663 |
0.64 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]2(C)[C@@]1(O)C(=O)CO
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0.64 |
CC12CC3OC33C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
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0.64 |
O[C@@]12CCO[C@@H]1CC(=O)C=C2
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0.64 |
C[C@@H]1COC(=O)[C@H]2O[C@@](C)(O)[C@@]3(CC=C(C)C(=O)[C@H]3OC(C)=O)[C@@H]12
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0.64 |
COC(=O)[C@@H]1[C@@H](O)C2=CC(=O)CC[C@]2(C)[C@@]23O[C@H]2C[C@@]2(C)[C@@H](CC[C@@]22CC(O)C(=O)O2)C13
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0.64 |
C[C@H]1[C@H](O)CCC2=C[C@@H](O)[C@@]3(O[C@@H]3[C@]12C)C(C)=C
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0.64 |
CC(=O)OCC1CCCC2=C(C)C(=O)CCC12COC(C)=O
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|
| MolPort-006-130-537 |
0.64 |
CCOC1(CCC(C)=CC1)C(C)C
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0.64 |
CC(=C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
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0.64 |
CC(C)(O)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(OC5OC(CO)C(O)C(O)C5O)C4(C)C)C3(C)C(=O)CC12C
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| MolPort-001-915-776 |
0.64 |
CCC(=O)OCC12COC(C)C(C1)C(C)=CC2C
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|
| MolPort-002-512-273 |
0.64 |
COC(=O)CC1(C)OC2CCCCC2C2=CCCCC12
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|
| MolPort-001-742-285 |
0.64 |
CC1C2CCC3(C)C(O)CC=C(C)C3C2OC1=O
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0.64 |
C[C@@]12C[C@@H]3C4=CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)C6CC[C@@]5(C)[C@]4(C)CC[C@@]3(C)[C@@H](O)C1OC2=O
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0.64 |
CCC(=O)OC[C@@]12COC(C)[C@@H](C1)C(C)=CC2C
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0.64 |
C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O
|
|
| MCULE-2591222806 |
0.64 |
C1CC(C)(C)C2C(C(CC34OC3C(O)C(CO)=CC4O)C(=CC2)C)(C1)C
|
|
| MCULE-5985682586 |
0.64 |
C1C(O)C(C)(C)C2C(C(CC34OC3C(O)C(CO)=CC4O)C(=CC2)C)(C1)C
|
|
| MCULE-7037894510 |
0.64 |
[C@]12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
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|
| MCULE-9210235948 |
0.64 |
C12CC=C3CC(CCC3(C)C1CCC1(C)C(CCC21)C(C)CCC(=O)OC1CC2CC1C=CC2)O
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|
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0.64 |
CC(C1CCC2(C)C=1CC(O)C1C2(C)CCC2C1(C)CCC(C2(C)C)=O)CC(O)C(OC(C)=O)C(O)(C)C
|
|
| MCULE-9978018071 |
0.64 |
CC1([C@@]2([H])[C@]([C@]3([C@@](CC2)(C)[C@@]2(C(=C(CC2)[C@@H](C[C@@H]([C@H](C(C)(O)C)OC(=O)C)O)C)C[C@@H]3O)C)[H])(C)CCC1=O)C
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0.64 |
C[C@]12CC[C@@]3([H])C(C(=O)CC[C@]3(C)[C@]1([H])[C@H](CC1=C([C@H](C)C[C@H](O)[C@H](C(O)(C)C)OC(=O)C)CC[C@]21C)O)(C)C
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| MCULE-3981843538 |
0.64 |
C12(C)CCC(CC1=CCC1C(C(C)CCC21)=O)OC(C)=O
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|
| MCULE-9414044064 |
0.64 |
C1CC(CO)(C)C2C(C(CC34OC3C(O)C(=C)C(O)C4O)C(=CC2)C)(C1)C
|
|
| MCULE-1153848413 |
0.64 |
C12(C)C(=O)C(=C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-4251451769 |
0.64 |
C1C(OC(C)=O)C2(C)C(C=O)=C(C)CCC2OC1C(O)(C)C
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| MCULE-4431617841 |
0.64 |
C1CC2(C)C3CCC4(C)C(C5COC(C(O)(C)C)C(O)C5)CCC4(C)C3=CCC2C(C)(C)C1=O
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|
| MCULE-2319475587 |
0.64 |
C1C[C@]2(C)[C@@]34O[C@@H]3C[C@]3(C)[C@]5(CCC(=O)O5)CC[C@@]3([H])[C@]4([H])[C@H](C(OC)=O)CC2=CC1=O
|
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0.64 |
[C@@]123[C@@]4(C)CCC(=O)C=C4C[C@@H](C(OC)=O)[C@@]1([H])[C@]1([H])CC[C@]4(CCC(=O)O4)[C@]1(C[C@@]2([H])O3)C
|
|
| MCULE-4238406785 |
0.64 |
CC1C(CC2CCCC=2)C(=O)CO1
|
|
| MCULE-7854744392 |
0.64 |
[C@@]123[C@@]4(C)CCC(=O)C=C4C[C@@H](C(OC)=O)[C@@]1([H])[C@]1([H])CC[C@]4(CCC(=O)O4)[C@]1(C[C@@]2([H])O3)C
|
|
| MCULE-4777670330 |
0.64 |
C123C4(C)CCC(=O)C=C4CC(C(OC)=O)C1C1CCC4(CCC(=O)O4)C1(CC2O3)C
|
|
| MCULE-6360105150 |
0.64 |
O=C1C(CC2CCCC=2)COC1
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| MCULE-1871322968 |
0.64 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H]1OC(=O)[C@@](C)(OC(C)=O)[C@H]21)[H]
|
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| MCULE-6779695938 |
0.64 |
C1[C@@H](C)[C@]2([H])[C@]3(CC=C(C)C(=O)[C@H]3OC(=O)C)[C@@](O)(C)O[C@]2([H])C(=O)O1
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| MCULE-1844098719 |
0.64 |
[C@@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])C[C@H](C)[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-6325290307 |
0.64 |
C123C(CCC4=CC(=O)C=CC14C)C1CC(C(O)(C(CO)=O)C1(CC2O3)C)C
|
|
| MCULE-5494067006 |
0.64 |
C123C(CCC4=CC(=O)C=CC14C)C1CC[C@](O)(C(CO)=O)C1(CC2O3)C
|
|
| MCULE-2509173201 |
0.64 |
[C@@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])C[C@@H]([C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C)C
|
|
| MCULE-7970606621 |
0.64 |
C1(=O)C=C2[C@](C)(C=C1)[C@]13O[C@@]1([H])C[C@@]1(C)[C@@]([H])(C[C@@H](C)[C@]1(O)C(=O)CO)[C@]3([H])CC2
|
|
| MCULE-1119558653 |
0.64 |
[C@@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])CC[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-5757704123 |
0.64 |
C123C(CCC4=CC(=O)C=CC14C)C1CCC(O)(C(CO)=O)C1(CC2O3)C
|
|
| MCULE-6700943071 |
0.64 |
[C@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])C[C@H]([C@](O)(C(CO)=O)[C@]1(C[C@H]2O3)C)C
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| MCULE-7141669330 |
0.64 |
C1=C[C@]2(O)CCO[C@]2([H])CC1=O
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| MCULE-9612148440 |
0.64 |
O=C1C(CC2CC=CCC2)COC1
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| MCULE-7641008425 |
0.64 |
CC1C(CC2CC=CCC2)C(=O)CO1
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| MCULE-3358579622 |
0.64 |
O=C(OCC1CCCO1)C1CC2CC1C=C2
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| MCULE-7410954618 |
0.64 |
C1CC2=C[C@H]([C@@]3(O[C@@H]3[C@]2(C)[C@H]([C@@H]1O)C)C(=C)C)O
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| MCULE-4173710741 |
0.64 |
CCOC1(C(C)C)CCC(C)=CC1
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| MCULE-8198416511 |
0.64 |
[C@H]1(O)CC2[C@]3(C(CC=C2C([C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(C)C)[C@@]1(C[C@@H](O)C([C@](O)(C)C(CCC(=C)C)=O)[C@@]1(C)CC3=O)C)C
|
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| MCULE-6857788568 |
0.64 |
C1(O)CC2C3(C(CC=C2C(C)(C1OC1OC(CO)C(O)C(O)C1O)C)C1(C)CC(O)C(C(O)(C)C(CCC(O)(C)C)=O)C1(C)CC3=O)C
|
|
| MCULE-9395429387 |
0.64 |
C1C(O)C2(C(C3C(CC2)C(C)C(=O)O3)C(C)=C1)C
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| MCULE-7536268908 |
0.64 |
C12(COC(CC)=O)COC(C(C(C)=CC1C)C2)C
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|
| MCULE-7813982811 |
0.64 |
C1(CC2CC1C=C2)C(OCCOC(C1CCC=CC1)=O)=O
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0.64 |
[C@@H]1(O)[C@@H](O)[C@]2(C)[C@@]3([H])[C@@H](O)[C@H](O)[C@]4(OC[C@@]53[C@@]4(O)[C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C
|
|
| MCULE-6652384834 |
0.64 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC(C)CC)=O
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|
| MCULE-1074800625 |
0.64 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1C[C@@H](CC)[C@@H]2C(CC)=O
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| MCULE-4910370058 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)=O
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|
| MCULE-4971559346 |
0.64 |
O1CCOC21CCC1(C)C(C2)=CCC2C1C(O)CC(CO)(CC=C)C2O
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|
| MCULE-2842920832 |
0.64 |
C(OCC)(=O)C1(CCC=C1)CC=C
|
|
| MCULE-6215028771 |
0.64 |
[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-8183627372 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1CCCCC21C(C)=O
|
|
| MCULE-7993538244 |
0.64 |
[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-3093682807 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-4605464077 |
0.64 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC(C)=O
|
|
| MCULE-4969238152 |
0.64 |
C1(C)=CC(C)C2C(C)C1C(C=CC)OC2
|
|
| MCULE-5145383615 |
0.64 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CCCC)=O
|
|
| MCULE-9028214804 |
0.64 |
[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-6412555386 |
0.64 |
[C@@]12(C)CC[C@@]3(C)[C@@]4([H])OC(=O)[C@@](C4)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C
|
|
| MCULE-4121090747 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(CC)C2C(C)=O
|
|
| MCULE-6563972685 |
0.64 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCCC)=O
|
|
| MCULE-2803933654 |
0.64 |
C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-5701442831 |
0.64 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)OC(C)=O
|
|
| MCULE-9533823250 |
0.64 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-8712822346 |
0.64 |
[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-9076166215 |
0.64 |
[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-2274449987 |
0.64 |
C12(C)CCC3C(CC=C4CCCC(OC(C)=O)C34C)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-1105300545 |
0.64 |
[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-9728792876 |
0.64 |
C12(C)C(=O)C(C)CC1C1C(CC2)C2(C)CCC(CC2=CC1)OC(C)=O
|
|
| MCULE-2565904577 |
0.64 |
C(CCCC)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-9886067523 |
0.64 |
[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-6470229591 |
0.64 |
CC1C(C2CCCCCC=2)(O)COC1
|
|
| MCULE-9491535728 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCC(O)=O
|
|
| MCULE-4068140047 |
0.64 |
C(C)(=O)OC1CC2C(C)(C3CCC4(C)C(C(C)C(O)=O)CCC4C3CC=2)CC1
|
|
| MCULE-6118345848 |
0.64 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)C(CCC(C)C)=O)CCC4C3CC=C2C1
|
|
| MCULE-8016431488 |
0.64 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@]6(C(=O)O[C@@]([H])(C6)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)C
|
|
| MCULE-9512042267 |
0.64 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(=O)COC(C)=O
|
|
| MCULE-7379708485 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(O)=O
|
|
| MCULE-7088876584 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C(C)CCCC(C)=O
|
|
| MCULE-3880817234 |
0.64 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCC(CC)=O)CCC4C3CC=C2C1
|
|
| MCULE-4687597526 |
0.64 |
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-7818387200 |
0.64 |
C1(=O)OC(C2C3CCC(C(OCC)=O)(C=C3)C12)=O
|
|
| MCULE-7515900360 |
0.64 |
O=C1CC[C@@H]2[C@]1(C)CC[C@@H]1C3CCC(CC=3C[C@@H](C)[C@@H]21)(OC)OC
|
|
| MCULE-4706828771 |
0.64 |
C12CCC(CC=1C[C@@H](C)[C@]1([H])[C@]2([H])CC[C@]2(C)C(CC[C@@]12[H])=O)(OC)OC
|
|
| MCULE-9513148820 |
0.64 |
O=C1C=C(CCC2OCCCC2)CCC1
|
|
| MCULE-2992568144 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1C[C@@H](O)[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-2303945332 |
0.64 |
C1(=O)[C@@H](O)[C@]2(C)[C@@]3([H])C4(O)OC[C@@]53[C@@]([H])(CC(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C(=C)[C@H]4O
|
|
| MCULE-1983952062 |
0.64 |
C1[C@@H](C)[C@]2([H])[C@]3(CC=C(C)C(=O)[C@H]3O)[C@@](O)(C)O[C@]2([H])C(=O)O1
|
|
| MCULE-6657834214 |
0.64 |
CC1C(C(CC2CC=CC2)=O)OCC1
|
|
| MCULE-1794103472 |
0.64 |
CC1(C(CC2CC=CC2)=O)OCCCC1
|
|
| MCULE-8587814356 |
0.64 |
[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-6390957697 |
0.64 |
[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC=C2C(=O)COC(C)=O
|
|
| MCULE-5107744915 |
0.64 |
CC1(C(CC2CC=CC2)=O)OCCC1
|
|
| MCULE-4793681995 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2(O)C(=O)COC(C)=O
|
|
| MCULE-4774026424 |
0.64 |
O=C(C1OCCCC1)CC1CC=CC1
|
|
| MCULE-2664331339 |
0.64 |
C1C2(C)COC(C)(C2(O)/C=C/C(C)O)CC1O
|
|
| MCULE-7657515197 |
0.64 |
[C@]12(O)C(=O)COC1CC1C3CCC4=CC(CC[C@]4(C)C3CC[C@]21C)=O
|
|
| MCULE-3547305588 |
0.64 |
[C@H]1(O)CC2[C@]3(C(CC=C2C([C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(C)C)[C@@]1(C[C@@H](O)C([C@](O)(C)C(C/C=C(\C)/C)O)[C@@]1(C)CC3=O)C)C
|
|
| MCULE-8383342390 |
0.64 |
CC(CCCC(C1C2(C)C(C3C(CC2)C2(C)C(CC(OC(COCC(OC4CC5C(C6C(CC=5)C5C(C(C(CCCC(C)C)C)CC5)(C)CC6)(C)CC4)=O)=O)CC2)=CC3)CC1)C)C
|
|
| MCULE-9289500370 |
0.64 |
C1(=C(CCC(O)=O)[C@](O)(C)[C@@H]2OC(=O)C(=C)[C@@H]2CC1)C
|
|
| MCULE-7433867323 |
0.64 |
C1(=O)CC2(CC(=O)OC2CC1)C/C=C(\C)/CC/C=C(\C)/C
|
|
| MCULE-7919639616 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CCC2C1(C)CCC(=O)O1
|
|
| MCULE-8365402403 |
0.64 |
C1[C@@]23CC/C(=C(/C)\C)/C2CC[C@@](C(O)=O)(O)[C@@H]1OC3
|
|
| 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-4359391178 |
0.64 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC1([H])CC=CCC21C(C)=O
|
|
| MCULE-1255015250 |
0.64 |
C12(C)CCC3(C([H])(CC=C4CC(CCC34C)OC(C)=O)C1([H])CC(=C)C2(O)C(C)=O)[H]
|
|
| MolPort-046-509-020 |
0.64 |
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-002-810-909 |
0.64 |
CC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1(C)C(C)=O)OC(C)=O
|
|
| MolPort-002-810-764 |
0.64 |
CC(=O)OCC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-023-221-501 |
0.64 |
CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-798-252 |
0.64 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-002-730-176 |
0.64 |
CC(CCCC(C)=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-686-234 |
0.64 |
C[C@@H]1CC2C3CC=C4CCCC(OC(C)=O)C4(C)C3CCC2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-001-535-946 |
0.64 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(C)=O)C3CC=C2C1
|
|
| MolPort-002-529-651 |
0.64 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(O)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-527-697 |
0.64 |
C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-001-937-574 |
0.64 |
C\C=C\C1OCC2C(C)C=C(C)C1C2C
|
|
| MolPort-002-529-366 |
0.64 |
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC(C)CC
|
|
| MolPort-038-387-112 |
0.64 |
CCOC(=O)C1(CC=C)CCC=C1
|
|
| MolPort-000-838-146 |
0.64 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-039-141-967 |
0.64 |
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-000-835-607 |
0.64 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4C(O)=O)C3CC=C2C1
|
|
| MolPort-002-528-770 |
0.64 |
CC[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
|
|
| MolPort-039-338-274 |
0.64 |
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-003-855-522 |
0.64 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC(C)CC
|
|
| MolPort-003-855-529 |
0.64 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCCC
|
|
| MolPort-001-785-924 |
0.64 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(O)=O)C3CC=C2C1
|
|
| MolPort-002-506-933 |
0.64 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-810-910 |
0.64 |
CCC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1C(C)=O)OC(C)=O
|
|
| MolPort-046-596-311 |
0.64 |
CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-000-744-261 |
0.64 |
CC(CCC(O)=O)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-002-524-244 |
0.64 |
CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCC[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-524-141 |
0.64 |
C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-515-746 |
0.64 |
CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(=O)CC)OC(C)=O
|
|
| MolPort-044-755-262 |
0.64 |
COC(=O)[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
|
|
| MolPort-000-738-028 |
0.64 |
C[C@@H]1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-002-158-100 |
0.64 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CCCCC45C(C)=O)C3CC=C2C1
|
|
| MolPort-000-727-845 |
0.64 |
CCOC(=O)C12CCC(C=C1)C1C2C(=O)OC1=O
|
|
| MolPort-002-510-721 |
0.64 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CCCC
|
|
| MolPort-002-510-678 |
0.64 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-046-596-384 |
0.64 |
CC(CCC(O)=O)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-042-646-617 |
0.64 |
C[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-046-597-310 |
0.64 |
CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O)OC(C)=O
|
|
| MolPort-000-691-653 |
0.64 |
CC(=O)OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-002-508-532 |
0.64 |
C\C=C\C1OC[C@H]2C(C)C=C(C)[C@@H]1C2C
|
|
| MolPort-000-691-651 |
0.64 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-002-507-454 |
0.64 |
C[C@@H]1CC2[C@@H]3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O)OC(C)=O
|
|
| MolPort-046-761-511 |
0.64 |
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-002-501-678 |
0.64 |
CCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-046-762-520 |
0.64 |
CC(=O)O[C@]1(CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-046-763-326 |
0.64 |
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
|
|
| MolPort-002-506-956 |
0.64 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC=C2C1
|
|
| MolPort-020-005-756 |
0.64 |
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
|
|
| MolPort-042-646-618 |
0.64 |
CC[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
|
|
| MolPort-002-526-754 |
0.64 |
CC(=O)OCC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-035-706-526 |
0.64 |
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
|
|
| MolPort-002-511-839 |
0.64 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-020-007-852 |
0.64 |
COC1(CCC2=C(C[C@@H](C)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1)OC
|
|
| MolPort-000-713-776 |
0.64 |
CC(=O)OCC(=O)[C@@]1(O)[C@H](O)CC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
|
|
| MolPort-039-052-398 |
0.64 |
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)C[C@H]3C(=C)[C@H]4O
|
|
| MolPort-035-706-184 |
0.64 |
C[C@@H]1COC(=O)[C@H]2O[C@@](C)(O)[C@@]3(CC=C(C)C(=O)[C@H]3O)[C@@H]12
|
|
| MolPort-020-005-966 |
0.64 |
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)C[C@H]3C(=C)[C@H]4O
|
|
| MolPort-002-528-954 |
0.64 |
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
|
|
| MolPort-002-509-853 |
0.64 |
CC(=O)OCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-005-909-126 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)COCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-027-853-654 |
0.64 |
CC(O)\C=C\C1(O)C2(C)COC1(C)CC(O)C2
|
|
| MolPort-035-836-356 |
0.64 |
COC1CCCCC1OC(=O)CC1=CCCCC1
|
|
| MolPort-046-693-707 |
0.64 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC1OCC(=O)[C@]21O
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| MolPort-006-668-365 |
0.64 |
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(CCC12C)C1(C)CC(OC(=O)CC(C)(O)CC(O)=O)C(O)C(C)(C)C1CC3
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| MolPort-044-755-245 |
0.64 |
CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(=O)C(C)C)[C@@H]3CC=C2C1
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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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CC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
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CC(C)=CCC(O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
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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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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)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C4(C)CCC(=O)O4)[C@@H]3CC=C2C1
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CC=CCC45C(C)=O)C3CC=C2C1
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CC(C)=C1CC[C@]23CO[C@H](C2)[C@](O)(CCC13)C(O)=O
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CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CC=CCC45C(C)=O)C3CC=C2C1
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CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C4(C)CCC(=O)O4)C3CC=C2C1
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0.64 |
C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23C)OC(C)=O)OC1=O
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C4(C)CCC(=O)O4)[C@@H]3CC=C2C1
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[Na+].CC(O)C(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
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CC(CC(O)=O)CC1(O)C(O)C2OC1C=C2C
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C[C@@H]([C@H]1OC(C)(C)[C@@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
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COC(=O)C1=CC(O)C(O)C(C1)OC(C)C(O)=O
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| MolPort-019-905-584 |
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O=C1OC(=O)C2C=CCCC12
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C[C@@H](CC(=O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
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C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
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COCC1C2C(OC1=O)C1OC1(C)CC\C=C(C)\CC2OC(C)=O
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| MolPort-046-158-388 |
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C[C@@H](C[C@@H](O)C1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
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COC(C)(C)[C@H](O)[C@@H](O)C[C@@H](C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
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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
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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
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CC1CC(=C)CC(O1)C1CC=C(C)CC1C
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C[C@]12C[C@H]3O[C@]33C([C@@H]1CC[C@@]21CCC(=O)O1)[C@H](CC1=CC(=O)CC[C@@]31C)C(O)=O
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CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1CCCCCCC(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=C2C1
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CC(=O)O[C@H]1CCC2=C3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C[C@@H](O)[C@]2(C)C1
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CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@@]3(O)C(=C)[C@H]4O
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CC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@]4(O)OC[C@@]33[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@@]3(O)C(=C)[C@H]4O
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CC1=CC(=O)[C@@H](O)[C@]2(C)C3[C@]4(O)OC[C@@]33[C@@H](CC12)OC(=O)[C@H](O)[C@@]3(O)C(=C)[C@H]4O
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0.63 |
C1(=O)[C@@H](O)[C@]2(C)[C@@]3([H])C4(O)OC[C@@]53[C@@](O)([C@@H](O)C(=O)O[C@]5([H])C[C@@]2([H])C(C)=C1)C(=C)[C@H]4O
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0.63 |
[Na+].C1CC2(C)C3CCC4(C)C(C([O-])=O)CCC4C3CC=C2CC1OC(=O)C
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0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1C[C@H](O)[C@]2([H])C(C)=O)[H]
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C1CC23CCOC(=O)C2(CCCC3)CC=1
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C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C=C2C1)=O
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[C@H]12O[C@H]1C(=O)C=C(CO)C2=O
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C12CC(C)(C)CC31C(O)(CO)C(=O)OCC3C(C(O)=O)=C2
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C(OCC)(C(CC)C1=CCCCC1)=O
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| MCULE-3460278496 |
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C12CCC(C=C1)CC2C(OCC)=O
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CCCCCC[C@](CC=CCCCCCCCC(OC)=O)(OC(C)=O)[H]
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C1CCC(C(C)(C(OCC)=O)C)=CCCC1
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CC(OC(C1C2C=CC(CC2)C1)=O)(C)C
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| MCULE-1316925332 |
0.63 |
CC(OC(C1C2C=CC(CC2)C1)=O)C
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| MCULE-5029800865 |
0.63 |
CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)(C)C
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| MCULE-1988011337 |
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CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)C
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| MCULE-1480805765 |
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CCOC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
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| MCULE-5708210639 |
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C1C23COC(C2)C(C(O)=O)(O)CCC3C(C(O)(C)C)=C1
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|
| MCULE-4160347351 |
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[C@]12(C)CCC3C(CC=C4CC(CC[C@]34C)OC(C)=O)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
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|
| MCULE-2408667521 |
0.63 |
C1=CC2C3(COCCC3=C)C1CC2
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|
| MCULE-7694957039 |
0.63 |
O=C1CCC(OCC2CC=CCC2)CC1
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| MCULE-5380330078 |
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C12(COC(C)=O)COC(C(C(C)=CC1C)C2)C
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|
| MCULE-9855248525 |
0.63 |
C12(CO)COC(C(C(C)=CC1C)C2C)C=CC
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|
| MCULE-1191180792 |
0.63 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CC=C2C1)=O)=O
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|
| MCULE-8750715978 |
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C12(COCC(C(C)=CC1C)C2C)COC(C)=O
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|
| MCULE-8928558825 |
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C12C(C)OCC(COC(C)=O)(CC=C1C)C2
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| MCULE-5816353779 |
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O1C(=O)C2C(CC(=CC2)CC/C=C(\C)/C)C1=O
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|
| MCULE-5167148308 |
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C12(COC(C)=O)COC(C(C(C)=CC1C)C2)CC
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|
| MCULE-3464870838 |
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C12(COC(C)=O)CC=C(C(C(C)OC1)C2C)C
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|
| MCULE-9403520396 |
0.63 |
C12(COC(C)=O)COC(C(C(C)=CC1C)C2C)CC
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| MCULE-3656083222 |
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C12(COC(C)=O)COC(C(C(C)=CC1C)C2C)C
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| MCULE-6036890686 |
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O=C(OCC)C1C(=O)C=C(C)C(C(=O)OCC)C1CC
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|
| MCULE-4484818094 |
0.63 |
O=C(OC1CC(C)=C(CC=C)C1=O)C1C(/C=C(\C)/C)C1(C)C
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|
| MCULE-3431366783 |
0.63 |
C1=C(C)C2OC1C(O)(CC(C)CC(=O)O)C2O
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|
| MCULE-5092604458 |
0.63 |
CC1OCC(C2CCCCC=2)(O)CC1
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| MCULE-9592082176 |
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C12(C)CCC3(OCCO3)CC1=CCC1C2CCC2(C)C1CCC2OCCC
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| MCULE-8903950072 |
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C1=C(C(OC)=O)CC(OC(C)C(=O)O)C(O)C1O
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| MCULE-9808053205 |
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C[C@@H](C1=C2C[C@@H]([C@H]3[C@]4(CCC(C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1)=O)C)O)C[C@@H]([C@H](C(OC)(C)C)O)O
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| MCULE-4854708910 |
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CC1(C(=O)C(CC2CC=CCC2)CO1)C
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|
| MCULE-2664519273 |
0.63 |
O=C1C(CC2C3C=CC(CC3)C2)COC1
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| MCULE-5486393555 |
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C(OC)(C1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-4092375452 |
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C1C=C(C)CC(OC(=O)C)C2C(COC)C(=O)OC2C2OC2(C)C1
|
|
| MCULE-5290043179 |
0.63 |
O=C1CCC23C4CCC5(C)C(CCC5C4(CCC2=C1)OC3OC)C(OC)=O
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|
| MCULE-2381125258 |
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C1(=O)[C@@H](O)[C@]2(C)C3C4(OC[C@@]53[C@@](O)([C@@H](O)C(=O)O[C@@H]5CC2C(C)=C1)C(=C)[C@H]4O)O
|
|
| MCULE-1257766731 |
0.63 |
O=C1O[C@@]2([H])[C@]34[C@]([C@]5([C@H](O)C(=O)C=C(C)[C@@]5(C2)[H])C)([H])[C@@]([C@@H](C(=C)[C@]3(O)[C@H]1O)O)(O)OC4
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| MolPort-044-811-198 |
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CCCC(=O)OC[C@]1(C)C=C(C=O)[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@@]3(CC[C@@]12C)C(=O)OC
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|
| MolPort-019-931-805 |
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CC1(C)CC2C=C(C3COC(=O)C(O)(CO)C23C1)C(O)=O
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|
| MolPort-039-338-256 |
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OCC1=CC(=O)[C@@H]2O[C@@H]2C1=O
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|
| MolPort-002-510-241 |
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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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|
| MolPort-001-739-620 |
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CC(C)(O)C1=CCC23COC(C2)C(O)(CCC13)C(O)=O
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|
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C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)C[C@@H]3O[C@]23[C@@]2(C)C=CC(=O)C=C12
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CC1C=C(C)C2COCC1(COC(C)=O)C2C
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CC(C)C1OCC2(COC(C)=O)C(C)C=C(C)C1[C@H]2C
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CC1C=C(C)[C@@H]2COC[C@@]1(COC(C)=O)C2C
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| MolPort-046-067-698 |
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CCCCCC1OCC2(COC(C)=O)C(C)C=C(C)C1[C@@H]2C
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| MolPort-045-967-846 |
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CC1OCC2(COC(C)=O)CC=C(C)C1C2
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CCC1OCC2(COC(C)=O)C(C)C=C(C)C1C2C
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| MolPort-002-511-630 |
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CCCCCCC1OC[C@]2(COC(C)=O)C(C)C=C(C)[C@H]1C2C
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| MolPort-002-511-574 |
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CC1OC[C@]2(COC(C)=O)CC=C(C)[C@H]1C2C
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CC=CC1OCC2(CO)C(C)C=C(C)C1C2C
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| MolPort-045-901-429 |
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CCC1OCC2(COC(C)=O)CC1C(C)=CC2C
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CCC1OC[C@]2(COC(C)=O)C(C)C=C(C)[C@H]1C2C
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C\C=C\C1OCC2(CO)C(C)C=C(C)C1[C@@H]2C
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CC1OCC2(COC(C)=O)CC=C(C)C1[C@H]2C
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| MolPort-000-719-806 |
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CC1OCC2(COC(C)=O)CC=C(C)C1C2C
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|
| MolPort-002-510-314 |
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CC(C)C1OC[C@@]2(COC(C)=O)CC=C(C)[C@@H]1C2
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|
| MolPort-002-510-237 |
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CC1OC[C@]2(COC(C)=O)CC=C(C)[C@H]1C2
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|
| MolPort-002-510-168 |
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CCC1OC[C@]2(COC(C)=O)C[C@H]1C(C)=CC2C
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|
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CC(C)=CCCC1=CCC2C(C1)C(=O)OC2=O
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|
| MolPort-046-683-997 |
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C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(C)C(=O)O1
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| MolPort-002-509-111 |
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CC1OCC2(COC(C)=O)C(C)C=C(C)C1[C@H]2C
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| MolPort-002-508-786 |
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CCCCC1OC[C@]2(COC(C)=O)C(C)C=C(C)[C@@H]1C2C
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| MolPort-001-917-582 |
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CC1OCC2(COC(C)=O)C(C)C=C(C)C1C2C
|
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0.63 |
[Na+].CCC(C)(C)C(=O)O[C@H]1CC(CO)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
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| MolPort-000-730-174 |
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CC(C)C1OCC2(COC(C)=O)CC=C(C)C1C2
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CC1OCC2(COC(C)=O)CC1C(C)=CC2C
|
|
| MolPort-008-346-776 |
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CC1OC[C@@]2(COC(C)=O)C[C@@H]1C(C)=CC2C
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|
| MolPort-003-855-482 |
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CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC
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| MolPort-003-892-826 |
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CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
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[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
|
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| MolPort-035-834-864 |
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CC1CC=CCC1COC(=O)COC1CCCCC1
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|
| MolPort-002-528-225 |
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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)CCC
|
|
| MolPort-001-928-668 |
0.63 |
CCCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
|
|
| MolPort-044-755-256 |
0.63 |
CCCC(=O)O[C@@H]1CC2=C(CC[C@H]3[C@H]2CC=C2C[C@H](CC[C@]32C)OC(C)=O)[C@]1(C)C(C)=O
|
|
| MolPort-002-529-209 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC3CCCCO3)[C@@H]1CCC2=O
|
|
| MolPort-046-697-183 |
0.62 |
CCC12C(O)C(=O)OC1(C)C(=O)C(O)=C2C
|
|
| MolPort-035-681-208 |
0.62 |
CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-002-818-342 |
0.62 |
CC(=O)OC1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OC(C)=O
|
|
| MolPort-001-917-870 |
0.62 |
CC1(C)CC2(CCO1)CCC(=O)C=C2
|
|
| MolPort-046-067-613 |
0.62 |
CC1(C)C[C@@]2(CCO1)CCC(=O)C=C2
|
|
| MolPort-035-706-103 |
0.62 |
CC(C)C(=O)[C@]12C(=O)[C@]3(CC=C(C)C)O[C@@]1(O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]2(C)CCC=C(C)C)C3=O
|
|
| MolPort-003-931-083 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-027-640-929 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1C2CC(CO2)[C@@H]1C\C=C\CCCC(O)=O
|
|
| MolPort-019-939-222 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-002-511-730 |
0.62 |
OCCCC[C@@H]1O[C@@H]2CCCCC2C2=CCCCC12
|
|
| MolPort-000-737-923 |
0.62 |
CC1=CCCC(C1)C1OCC2CCC(=C)C1C2
|
|
| MolPort-039-338-978 |
0.62 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
| MolPort-039-338-790 |
0.62 |
COC(=O)[C@H](C)CC(=O)CC(C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
| MolPort-045-968-441 |
0.62 |
CC1C=C(C)C2C(C)C1(COC(C)=O)COC2C=C
|
|
| MolPort-046-067-657 |
0.62 |
CC1C=C(C)C2[C@H](C)C1(COC(C)=O)COC2C=C
|
|
| MCULE-1093359827 |
0.62 |
[C@@]12(C(C)=O)OC(O[C@@H]1CC1C3C(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)O)(C)C
|
|
| MCULE-2391054675 |
0.62 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-9929087674 |
0.62 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CCC)=O
|
|
| MCULE-9280847330 |
0.62 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C
|
|
| MCULE-6807348478 |
0.62 |
CC1C(COC(COC2CCCCC2)=O)CC=CC1
|
|
| MCULE-6762964573 |
0.62 |
C(CC(C)C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1
|
|
| MCULE-4823161367 |
0.62 |
[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(CCC)=O
|
|
| MCULE-4064250278 |
0.62 |
C12(C)OC(=O)C(O)C1(CC)C(C)=C(O)C2=O
|
|
| MCULE-1546412853 |
0.62 |
[C@]12(C)CC[C@@H](CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC1CCCCO1
|
|
| MCULE-1885429632 |
0.62 |
[C@]12(C)CCC(CC1=CC(=O)C1C2CC[C@]2(C1CCC2OC(C)=O)C)OC(C)=O
|
|
| MCULE-6834807417 |
0.62 |
C1C2(CCOC(C)(C)C2)CCC(=O)C=1
|
|
| MCULE-3124657861 |
0.62 |
C1[C@]2(CCOC(C)(C)C2)CCC(=O)C=1
|
|
| MCULE-1906795397 |
0.62 |
C(C)(=O)OC1CCC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C21[H])=O)OC(C)=O
|
|
| MCULE-4840679686 |
0.62 |
C1(=O)[C@]2(O[C@]3(O)[C@]([C@@](CC/C=C(/C)\C)(C)[C@@H](C/C=C(\C)/C)C[C@]13C/C=C(\C)/C)(C(=O)C(C)C)C2=O)C/C=C(\C)/C
|
|
| MCULE-8885392456 |
0.62 |
C12(OCCO1)CCC(C(O)(C)C)=CC2
|
|
| MCULE-4320007788 |
0.62 |
C1[C@H]2C[C@H]([C@H](C=C[C@@H](O)CCCCC)[C@H]2CC=CCCCC(O)=O)O1
|
|
| MCULE-5003752801 |
0.62 |
C1CC2C(CC=C3CC(OCCC)CCC23C)C2CCC(C(C)CCCC(C)C)C12C
|
|
| MCULE-7789504566 |
0.62 |
C12(C)CCC3(C([H])(CC=C4CC(OCCCC)CCC34C)C1([H])CCC2([H])C(C)CCCC(C)C)[H]
|
|
| MCULE-1540404527 |
0.62 |
[C@]12(C)CCC3C(CC=C4CC(OCCC)CC[C@]34C)C1CCC2C(C)/C=C/C(CC)C(C)C
|
|
| MCULE-2981823417 |
0.62 |
C1CC2C(CC=C3CC(OCCC(C)C)CCC23C)C2CCC(C(C)CCCC(C)C)C12C
|
|
| MCULE-4871716191 |
0.62 |
CC1([C@@H](O)CC[C@@]2(C)[C@H]1CC(C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](OC(=O)C)C(=O)C=12)=O)C
|
|
| MCULE-2266958285 |
0.62 |
C12(COC(C)=O)COC(C(C(C)=CC1C)C2C)C=C
|
|
| MCULE-6020138869 |
0.62 |
C1C2CC(CC2C(=O)OC(C)(C)C)C=1
|
|
| MCULE-4404179672 |
0.62 |
CC1OCC(C2CCCCC=2)(O)C1
|
|
| MCULE-4463064740 |
0.62 |
C(OCC)(C1CC2CC1C=C2)=O
|
|
| MCULE-2766753223 |
0.62 |
C(=O)(OC(C)C)C1CC2CC1C=C2
|
|
| MCULE-9057361672 |
0.62 |
C12(C)CCC3(CC1=CCC1C2CCC2(C1CCC2O)C)OCCO3
|
|
| MCULE-2126738487 |
0.62 |
C1=CC(O)(C(OC(C(CC(C)C(=O)C(=CC(C)C1=O)C)C)=O)CC)C
|
|
| MCULE-4917707226 |
0.62 |
C12(C(OCC)=O)C=CC(=O)C1C1CC2C=C1
|
|
| MCULE-5917433710 |
0.62 |
O=C(C1OCCC=1)C1C2(CCOCC2)C1
|
|
| MCULE-8822838184 |
0.62 |
C1C[C@]2(C)C3[C@@H](OC(=O)C)C[C@]4(C)[C@@H](C(=O)COC(=O)C)CCC4C3CCC2=CC1=O
|
|
| MCULE-9558386116 |
0.62 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\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-5585134478 |
0.62 |
[C@@]12([H])CC=C3C[C@@H](OC(=O)CCCCCCCC=CCC=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-7070451847 |
0.62 |
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-6622354875 |
0.62 |
O=C1C2(C(C)(C3(C)C2(C)O3)C(C)=C1C)C
|
|
| MCULE-8460337326 |
0.62 |
C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
|
|
| MCULE-2122796304 |
0.62 |
C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(OCC)=O)=O
|
|
| MCULE-4825273969 |
0.62 |
[C@]12(C(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
|
|
| MCULE-7409296969 |
0.62 |
[C@@]12(C(C)=O)O[C@]1(C)CC1[C@]3(C(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
|
|
| MCULE-3655751389 |
0.62 |
[C@]12(O[C@@H]1C[C@@]1([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]21C)C(=O)C
|
|
| MCULE-9723128082 |
0.62 |
C12CC(C=C1)CC2C(OC1(C)CCCC1)=O
|
|
| MCULE-7783857639 |
0.62 |
C1(C(C)C(C(=O)OC2CC(C)CCC2C(C)C)C(C)=CC1=O)C(=O)OC1CC(C)CCC1C(C)C
|
|
| MCULE-4082383007 |
0.62 |
C12OC1C(=O)C(CO)=CCC(CC/C=C(\C)/C)(C)C=CC(OC(=O)/C=C(\C)/C)C2(C)O
|
|
| MCULE-8922781922 |
0.62 |
OC(C1OCCC1)CC1CC=CCC1
|
|
| MCULE-7448178395 |
0.62 |
[C@H]12C(CCC(C)=C3CCC(C)(O)C13)C(C(=O)O2)C
|
|
| MolPort-001-793-877 |
0.62 |
CCOC(=O)C1CC2CC1C=C2
|
|
| MolPort-000-727-694 |
0.62 |
CC12CCC3C(CC=C4CC5(CCC34C)OCCO5)C1CCC2O
|
|
| MolPort-002-528-063 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@]34C)OCCO5)[C@@H]1CCC2O
|
|
| MolPort-005-938-238 |
0.62 |
CC(C)(C)OC(=O)C1CC2CC1C=C2
|
|
| MolPort-035-705-937 |
0.62 |
CC(=O)OC[C@H](O)[C@@]1(C)CC[C@@H]2C(CC[C@@H]3C(C)(C)[C@H](O)CC[C@@]23C)=C1
|
|
| MolPort-002-508-454 |
0.62 |
CCCOC(=O)C12CCC(C)(C)CC1C1=CCC3[C@@]4(C)CC(O)C(O)C(C)(C)C4CC[C@@]3(C)[C@@]1(C)CC2
|
|
| MolPort-002-506-895 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CC=C4CC5(CC[C@]34C)OCCO5)[C@@H]1CC[C@@H]2O
|
|
| MolPort-003-937-159 |
0.62 |
CC(=O)\C=C\C1C2(C)OC2CCC1(C)C
|
|
| MolPort-027-853-559 |
0.62 |
CCC1OC(=O)C(C)CC(C)C(=O)\C(C)=C\C(C)C(=O)\C=C\C1(C)O
|
|
| MolPort-046-426-236 |
0.62 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-046-426-235 |
0.62 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-006-114-478 |
0.62 |
CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-046-067-645 |
0.62 |
CC1C=C(C)C2[C@H](C)C1(COC(C)=O)COC21CCCC1
|
|
| MolPort-044-727-765 |
0.62 |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-006-112-040 |
0.62 |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| 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-006-127-434 |
0.62 |
CC(=C)[C@@H]1C[C@H]2O[C@@]2(C)C(=O)C1
|
|
| MolPort-046-765-240 |
0.62 |
CCCCCCCC\C=C\CCCCCCCC(=O)OCCO
|
|
| MolPort-045-999-251 |
0.62 |
CC(=C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)C1
|
|
| MolPort-044-811-197 |
0.62 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@]4(C)[C@@H](CC[C@@]3(C)[C@]1(C)CC2)[C@](C)(COC(C)=O)C=C4C=O
|
|
| MolPort-000-720-153 |
0.62 |
CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
|
|
| MolPort-046-596-327 |
0.62 |
CC(=O)[C@@]12O[C@]1(C)CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-002-506-983 |
0.62 |
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-002-509-553 |
0.62 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-001-828-137 |
0.62 |
CC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
|
|
| MolPort-002-526-864 |
0.62 |
CC(=O)[C@@]12O[C@]1(C)CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-002-525-721 |
0.62 |
CC1(O)OC[C@]23CC=C4[C@@H](CCC5CC(=O)CC[C@]45C)C2CC[C@H]13
|
|
| MolPort-042-644-562 |
0.62 |
CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-023-331-412 |
0.62 |
CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H]5C[C@@H]5C4=O)[C@@H]3[C@@H](O)C=C2C1
|
|
| MolPort-023-220-339 |
0.61 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-001-739-990 |
0.61 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-027-564-866 |
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]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-006-394-569 |
0.61 |
CC(O)C(C)(C)C(=O)OC1CC(C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-003-850-248 |
0.61 |
[2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)C([2H])([2H])[2H]
|
|
| MolPort-002-509-815 |
0.61 |
CC(=O)OCC(=O)C1=CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-027-640-939 |
0.61 |
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-046-673-512 |
0.61 |
CCOC(=O)C1(C)CCCC=C1
|
|
| MolPort-046-596-430 |
0.61 |
CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3C(C[C@]12C)OC(C)=O
|
|
| MolPort-046-196-750 |
0.61 |
CC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@H]12
|
|
| MolPort-019-918-667 |
0.61 |
CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@H]12
|
|
| MolPort-021-783-327 |
0.61 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-000-826-397 |
0.61 |
CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=CC4(C)C3C(CC12C)OC(C)=O
|
|
| MolPort-002-527-583 |
0.61 |
CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](C[C@]12C)OC(C)=O
|
|
| MolPort-003-849-214 |
0.61 |
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-039-339-204 |
0.61 |
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-003-848-065 |
0.61 |
CC(O)C(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-003-850-810 |
0.61 |
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-009-019-312 |
0.61 |
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12
|
|
| MolPort-002-507-345 |
0.61 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-004-781-058 |
0.61 |
CCOC(=O)C1CCCC=C1
|
|
| MolPort-019-990-913 |
0.61 |
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(=O)OC(C)C
|
|
| MolPort-002-528-696 |
0.61 |
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CC=C5CC(O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O1)C(=O)CC=O
|
|
| MolPort-009-675-646 |
0.61 |
CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12
|
|
| MolPort-028-751-166 |
0.61 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12
|
|
| MolPort-046-762-839 |
0.61 |
CC[C@H](C)C(=O)O[C@@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-028-196-343 |
0.61 |
O=C(CC1CCCC1)OCC1CCC=CC1
|
|
| MolPort-002-885-840 |
0.61 |
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-006-394-822 |
0.61 |
[2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
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| MolPort-044-561-115 |
0.61 |
CC1=C(C)C(=O)O[C@H](C1)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-044-755-249 |
0.61 |
CC(=O)O[C@@H]1CC2=C(CC[C@H]3[C@H]2CC=C2C[C@H](CC[C@]32C)OC(C)=O)[C@]1(C)C(C)=O
|
|
| MolPort-003-959-446 |
0.61 |
CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-002-508-688 |
0.61 |
CC(=O)[C@]1(CCC2C3CC=C4CC5(CC[C@]4(C)C3CC[C@]12C)OCCO5)O[Si](C)(C)C
|
|
| MolPort-046-153-172 |
0.61 |
COCC1C2C(OC1=O)C1OC1(C)CC\C=C(C)\CC2O
|
|
| MolPort-046-688-862 |
0.61 |
CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]12C)C(=O)CO
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|
| MolPort-002-510-337 |
0.61 |
CCCCCCCCC1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(=O)CC
|
|
| MolPort-039-338-977 |
0.61 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-046-765-392 |
0.61 |
CCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@@H]3C[C@]12C
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|
| MolPort-000-295-000 |
0.61 |
CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)CCCC(C)C
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0.61 |
CCC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]12C
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|
| MolPort-002-510-720 |
0.61 |
CCC(=O)OC1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(=O)CC
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|
| MolPort-046-762-431 |
0.61 |
CC1(OCCO1)[C@]1(O)CC[C@@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@@H]3CC[C@]12C)OCCO5
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| MolPort-002-826-614 |
0.61 |
CC(C)CCCC(C)C1CC[C@@H]2C3CC=C4C[C@@H](CCC4(C)[C@@H]3CCC12C)OC(=O)C(C)C
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|
| MolPort-002-509-417 |
0.61 |
C[C@]12CCC3C(CC=C4CC5(CC[C@]34C)OCCO5)C1CCC21CO1
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|
| MolPort-003-987-065 |
0.61 |
CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-003-855-481 |
0.61 |
CCCCCCCCC1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(=O)CC
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|
| MolPort-000-717-454 |
0.61 |
CCCCCCCC1CC(=O)C=C(C)C1C(=O)OCC
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|
| MolPort-001-793-303 |
0.61 |
CCOC(=O)C1CCC(=O)C=C1C
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|
| MolPort-001-766-634 |
0.61 |
CC1CCC2=C(C)C3C4C(C(=O)OC4=O)C2(C1)C1C3C(=O)OC1=O
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|
| MolPort-000-740-119 |
0.61 |
CCCCC1CC(=O)C=C(C)C1C(=O)OCC
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|
| MolPort-000-741-514 |
0.61 |
CCCCC(CC)C1CC(=O)C=C(C)C1C(=O)OCC
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|
| MolPort-001-764-881 |
0.61 |
O=C1OC(=O)C2C1C1C=CC2C2C1C(=O)OC2=O
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|
| MolPort-000-697-674 |
0.61 |
CCOC(=O)C1C(CC(=O)C=C1C)C(C)C
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|
| MolPort-046-793-021 |
0.61 |
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CCC4=O)C3[C@@H](O)C=C2C1
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|
| MolPort-000-145-850 |
0.61 |
CC1=CC2(C)C3C(C1C1C2C(=O)OC1=O)C(=O)OC3=O
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|
| MolPort-027-849-841 |
0.61 |
CC(C)CCCC(C)C1CC[C@H]2C3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-039-138-962 |
0.61 |
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
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| MolPort-002-508-698 |
0.61 |
CCOC(=O)C1C(CC)CC(=O)C=C1C
|
|
| MolPort-002-509-004 |
0.61 |
CCCCCCC1CC(=O)C=C(C)C1C(=O)OCC
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|
| MolPort-002-509-866 |
0.61 |
CCOC(=O)C1C(CC(C)C)CC(=O)C=C1C
|
|
| MolPort-002-510-591 |
0.61 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H]3C(CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
|
|
| MolPort-002-511-603 |
0.61 |
C[C@]12CCC3C(CC=C4CC(CC[C@]34C)OC(=O)CCC(O)=O)C1CCC2=O
|
|
| MolPort-002-539-057 |
0.61 |
CCCCCC1CC(=O)C=C(C)C1C(=O)OCC
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|
| MolPort-006-112-402 |
0.61 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](CC1=CC3=O)OC(C)=O
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|
| MolPort-044-183-412 |
0.61 |
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
|
|
| MCULE-7087866108 |
0.61 |
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-5661885893 |
0.61 |
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-1891722858 |
0.61 |
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-8390617062 |
0.61 |
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-4275218537 |
0.61 |
[C@@]12(C(CC=O)=O)OC(O[C@@H]1C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)O)[H])(C)C
|
|
| MCULE-7655940373 |
0.61 |
C12=CC(C)CC(OC(=O)C(C)(C)CC)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
|
|
| MCULE-4325649241 |
0.61 |
C12=CC(C)CC(OC(C(C)CC)=O)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
|
|
| MCULE-6419704114 |
0.61 |
CCC(C(OC1C2C(C=CC(C2CCC2OC(=O)CC(O)C2)C)=CCC1)=O)C
|
|
| MCULE-6997832079 |
0.61 |
C12(C)CC(OC(C)=O)C3C(CCC4=CC(=O)C=CC34C)C1CC=C2C(=O)COC(C)=O
|
|
| MCULE-2150444872 |
0.61 |
C12=CC[C@]3(C(CC=C3C(=O)COC(C)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
|
|
| MCULE-4740518260 |
0.61 |
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-8429357063 |
0.61 |
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-1131719628 |
0.61 |
[C@]12(C)C[C@H](OC(C)=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC=C2C(=O)COC(C)=O)[H]
|
|
| MCULE-8166977907 |
0.61 |
O=C(OCC1CC=CCC1)CC1CCCC1
|
|
| MCULE-4168657248 |
0.61 |
[C@H]1(CCC(=O)CCCCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C
|
|
| MCULE-3362275267 |
0.61 |
C1CC=CC2C(C(OCC)=O)C2CC1
|
|
| MCULE-1252077735 |
0.61 |
C1CC23CC(=O)OC(=O)C2(CCCC3)CC=1
|
|
| MCULE-2846121944 |
0.61 |
O=C(C1OCCC=1)C1C2(CC2)C1
|
|
| MCULE-2469940549 |
0.61 |
CC(C1C(C(C2OCCC=2)=O)C1)(C)C
|
|
| MCULE-8388945163 |
0.61 |
CC(C(C1OCCC=1)=O)C1CCC1
|
|
| MCULE-7818588594 |
0.61 |
CCCCCC[C@@](O)(CC=CCCCCCCCC(OCC)=O)[H]
|
|
| MCULE-5063132856 |
0.61 |
[C@]1(C(C)=O)(O[Si](C)(C)C)CCC2C3C(CC[C@]12C)[C@@]1(C)CCC2(CC1=CC3)OCCO2
|
|
| MCULE-9544967893 |
0.61 |
O=C1C=CC2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(OCC)=O)OC(C)=O
|
|
| MCULE-9070200931 |
0.61 |
C1C=C(C)CC(O)C2C(COC)C(=O)OC2C2OC2(C)C1
|
|
| MCULE-2241145060 |
0.61 |
[C@]12(C)CC[C@@H](CC1=CCC1C2CC[C@]2(C1CCC2CCCCCCCC)C)OC(CC)=O
|
|
| MCULE-1853650577 |
0.61 |
C12(C)CC[C@@]3(C(CC=C4C[C@@]([H])(CCC34C)OC(C(C)C)=O)[C@@]1([H])CCC2C(C)CCCC(C)C)[H]
|
|
| MCULE-9655561687 |
0.61 |
CC1OCC(C2CCCCCC=2)(O)C1
|
|
| MCULE-8698149631 |
0.61 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2OC(CC)=O)C)OC(CC)=O
|
|
| MCULE-1170362647 |
0.61 |
O=C(OCC1C(C)CC=CC1)C(OCC1CC=CCC1C)=O
|
|
| MCULE-4480469003 |
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)CC)CC1=CC2)[H]
|
|
| MCULE-3755877935 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CC)=O)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-8277570953 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2CCCCCCCC)C)OC(CC)=O
|
|
| MCULE-2871410677 |
0.61 |
C(C)(=O)OC1CC(C2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(C)=O)OC(C)=O
|
|
| MCULE-5384106604 |
0.61 |
OC1(C2OCCC=2)C2C=CC(C2)C1
|
|
| MCULE-9897298185 |
0.61 |
C12C(C(=O)OC1=O)C13CCCCC1=CC2C1C(=O)OC(=O)C31
|
|
| MCULE-4024956051 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(C(=O)C=C4C[C@H](CC[C@]34C)OC(C)=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-5393900833 |
0.61 |
C(C)(=O)OC1CCC2(C)C3(C4C(OC(C4C4(C5CCC(C(C)C=CC(C)C(C)C)C5(C)CCC42[H])C=C3)=O)=O)C1
|
|
| MCULE-2910628288 |
0.61 |
C1(C)C(CCC(=O)C=1CC)C(OCC)=O
|
|
| MCULE-1015687242 |
0.61 |
C1(C)=CC(=O)CC(C(C)C)C1C(OCC)=O
|
|
| MCULE-2602485743 |
0.61 |
C123CC(C)CCC1=C(C(C1C(OC(=O)C21)=O)C1C(OC(=O)C31)=O)C
|
|
| MCULE-3232378757 |
0.61 |
C12(C)C=C(C)C(C3C(OC(=O)C13)=O)C1C(OC(=O)C21)=O
|
|
| MCULE-6651693585 |
0.61 |
O=C1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CCC2=C1)C(O)=O
|
|
| MCULE-7051647001 |
0.61 |
O=C1CC(CC)C(C(=O)OCC)C(C)=C1
|
|
| MCULE-7553498370 |
0.61 |
C1(C)=CC(=O)CC(CCCCCCC)C1C(OCC)=O
|
|
| MCULE-3458261213 |
0.61 |
C12C3C(=O)OC(=O)C3C(C3C1C(=O)OC3=O)C=C2
|
|
| MCULE-1260945499 |
0.61 |
C1(C)=CC(=O)CC(CC(C)C)C1C(OCC)=O
|
|
| MCULE-5067610229 |
0.61 |
C(CCC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC=C2C1)C(OC)=O)(O)=O
|
|
| MCULE-5176587980 |
0.61 |
[C@]12(C)CCC(CC1=CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCC(O)=O)=O
|
|
| MCULE-2983690182 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3C(C=C2C1)=O
|
|
| MCULE-3008910536 |
0.61 |
C1(C)=CC(=O)CC(C(CCCC)CC)C1C(OCC)=O
|
|
| MCULE-5409598406 |
0.61 |
C1(C)=CC(=O)CC(CCCCCC)C1C(OCC)=O
|
|
| MCULE-9523048589 |
0.61 |
C(OCC)(C1C(C)CC(C=C1C)=O)=O
|
|
| MCULE-6247777566 |
0.61 |
C1CC2(C3C(C(=O)C=C2CC1OC(C)=O)C1CCC(C(CCCC(C)C)C)C1(C)CC3)C
|
|
| MCULE-8770472130 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C(C=C2C1)=O)C(C)=O
|
|
| MCULE-9977303983 |
0.61 |
C[C@]12C[C@]3([H])O[C@]([H])([C@@H](O)C(O)(C)C)C[C@@H](C)C3=C1C[C@H](O)[C@@]1([H])[C@]3(CCC(=O)C(C)(C)[C@]3([H])CC[C@]21C)C
|
|
| MCULE-8380731028 |
0.61 |
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-7082050674 |
0.61 |
CC([C@@H]([C@H]1O[C@H]2C[C@@H]3[C@]4(CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4[C@@H](O)CC3=C2C(C)(C)C1)C)O)(O)C
|
|
| MCULE-7816980935 |
0.61 |
CC(OC1C(O)C2=CC(C3C(C2(C)CC1)CCC1(C)C3CCC1)=O)=O
|
|
| MCULE-4115143726 |
0.61 |
O[C@@H]1C(=C(C)C[C@@]2([H])OC(=O)C(=C)[C@@]12[H])[C@@H](C)CCCO
|
|
| MCULE-2203626367 |
0.61 |
C1(C)CC2OC(=O)C(=C)C2C(O)C=1C(C)CCCO
|
|
| MCULE-4761848352 |
0.61 |
CC1(C(=O)CC[C@@]2(C)[C@H]1CC(C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](OC(=O)C)C(=O)C=12)=O)C
|
|
| MCULE-7864191553 |
0.61 |
[C@H]12OC(=O)C(=C)[C@H]1[C@H](O)C([C@@H](C)CCCOC(=O)C)=C(C)C2
|
|
| MCULE-2433647370 |
0.61 |
CCCC1C(/C=C(\C)/C)(O)COC1
|
|
| MCULE-2652266780 |
0.61 |
C(C=CCCCCCCCC(=O)OCCCC)[C@H](O)CCCCCC
|
|
| MCULE-1693376379 |
0.61 |
CCC(OC)C(O)C/C=C\C/C=C\CCCCCCCC(=O)O
|
|
| MCULE-7110389607 |
0.61 |
O=C1C=CC2(CCOCC2)CC1
|
|
| MCULE-5417858498 |
0.61 |
C1C2OC(CC2C=C1)=O
|
|
| MCULE-8638278493 |
0.61 |
O=C(OC1(CCCCC1)C)C1CC2CC1C=C2
|
|
| MCULE-6824565850 |
0.61 |
[C@@]12([H])[C@@]([H])(C=CC1)CC(=O)O2
|
|
| MCULE-9975844805 |
0.61 |
O=C(OC1(C2CC3CC(C2)CC1C3)C)C1CC2CC1C=C2
|
|
| MCULE-1759828525 |
0.61 |
[C@H]12[C@@]([H])(CCC(C)=C3C(CC(C)[C@]13[H])=O)[C@@H](C(=O)O2)C
|
|
| MCULE-6784174076 |
0.61 |
C(C(=O)C(C)CC(C)CC(C)CCC(O)=O)=C(O)C(C)CC(C)CC=CC(C)C(O)C(C)C(O)CC1CCC(O1)(C)C1([H])CCC(C)(C(C)O)O1
|
|
| MCULE-3803427495 |
0.61 |
C(/C(=O)[C@@H](C)C[C@@H](C)C[C@H](C)CCC(O)=O)=C(/O)\[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@@](O1)(C)[C@@]1([H])CC[C@@](C)([C@@H](C)O)O1
|
|
| MCULE-1866389787 |
0.61 |
C1CC2(C(=O)OC)CC=CCCC2=CC1=O
|
|
| MCULE-7480864628 |
0.61 |
[C@@H]1(CC[C@@](C)([C@H](O)C)O1)[C@]1(C)CC[C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)C=CC[C@@H](C)C[C@@H](C)C([O-])=CC(=O)[C@@H](C)C[C@@H](C)C[C@@H](CCC(=O)[O-])C)O1
|
|
| MCULE-1969792742 |
0.61 |
C(=O)([O-])CC[C@@H](C)C[C@@H](C[C@H](C)C(=O)C=C([C@@H](C[C@H](C)CC=C[C@@H](C)[C@@H](O)[C@H]([C@@H](O)C[C@]1([H])CC[C@@](C)([C@]2([H])O[C@](C)([C@H](O)C)CC2)O1)C)C)[O-])C
|
|
| MCULE-9975535341 |
0.61 |
C1(=O)OC2C(CC=C(CCC(=O)C)C(C2)C)C1=C
|
|
| MCULE-8068988767 |
0.61 |
C[C@]12CC=C3[C@](CCC4[C@]3(C)C=CC(=O)C=4)([H])[C@]1([H])CC=C2C(=O)COC(=O)C
|
|
| MCULE-9693974809 |
0.61 |
O=C1[C@]2([C@](C(=O)C(C)=C1O)([H])O2)[H]
|
|
| MCULE-2768288313 |
0.61 |
C1(=O)C=C2[C@](C)(C=C1)C1[C@]([H])([C@@]3([H])[C@@](CC=1)(C)C(C(=O)COC(C)=O)=CC3)CC2
|
|
| MCULE-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-3003712811 |
0.61 |
C(CC(C)CC)(OC1C(C(C)C)C(O)C=C(CO)C1=O)=O
|
|
| MCULE-5499634167 |
0.61 |
CC1C(=O)OC2C1CCC(O)(C)C1C2=C(C)C2C1C1C3C(O)(C)CCC4C(C)C(=O)OC4C23C(C)=C1
|
|
| MCULE-8874474516 |
0.61 |
C1CC2(C)C(CC/C(/C)=C\CO)=C(C=O)CC(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)CO3)C2C(CO)(C)C1
|
|
| MCULE-2867849826 |
0.61 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2O)C)OC(C)(C)C
|
|
| MCULE-6843594884 |
0.61 |
C12=CCCCC1C1(OC3CCCCC23)CCCCC1
|
|
| MCULE-3699550787 |
0.61 |
C12=CCCCC1([H])C(CCCCOC(C)=O)OC1CCCC[C@@]21[H]
|
|
| MCULE-1081447415 |
0.61 |
O=C1C=C2CC(OC)CCC2(C)C2CCC3(C)C(C(C)CCCC(C)C)CCC3C21
|
|
| MCULE-6899994435 |
0.61 |
O=C(C1OCCC=1)C1CC2(CC2)CCC1
|
|
| MCULE-7071448896 |
0.61 |
O=C(C1OCCC=1)C1CCC2(CC2)CC1
|
|
| MCULE-1496776491 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(CC)=O)[H]
|
|
| MCULE-6763312421 |
0.61 |
[C@]12(C)CC(OC(C)=O)C(C(C)(C)C1CC[C@]1(C)C2CC=C2C1(C)CCC1(CCC(C)(C)CC12)C(OCCC)=O)OC(C)=O
|
|
| MCULE-9824449913 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(C)=C2C(C)=O
|
|
| MCULE-7414624056 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC=C2C(C)=O
|
|
| MCULE-9952649566 |
0.61 |
CC12CCC3([H])C4(CCC(OC(=O)C)CC4=C(C)CC3([H])C1([H])CC(C)=C2C(=O)C)C
|
|
| MCULE-3011305929 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC=C2C(C)=O)[H]
|
|
| 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-1065163743 |
0.61 |
[C@]12([H])[C@@H](O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)COC(=O)C
|
|
| MCULE-2660227283 |
0.61 |
C12(C)CC=C3C(CCC4([H])CC(=O)CCC34C)C1CC(C)C2(O)C(=O)COC(C)=O
|
|
| MCULE-7465845608 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(=CCC4C3CC(C)=C2C1)C(C)=O
|
|
| 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-4145707178 |
0.61 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)([H])OC(C)=O
|
|
| 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
|
|
| MolPort-001-742-429 |
0.61 |
C[C@H]1C[C@H](O)C[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12
|
|
| MolPort-039-338-711 |
0.61 |
C[C@@H]1C[C@H](O[C@H]2C[C@@]3(C)C(C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)=C12)[C@@H](O)C(C)(C)O
|
|
| MolPort-039-338-340 |
0.61 |
CC(CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-039-338-979 |
0.61 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-046-158-516 |
0.61 |
C[C@@H](CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
|
|
| MolPort-044-754-102 |
0.61 |
CC(CCCO)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-046-153-766 |
0.61 |
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-029-943-083 |
0.61 |
C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@@H]1O
|
|
| MolPort-046-790-483 |
0.61 |
C[C@@H](CCCOC(C)=O)C1=C(C)C[C@H]2OC(=O)C(=C)[C@H]2[C@H]1O
|
|
| MolPort-029-943-098 |
0.61 |
CC(CCCO)C1=C(C)CC2OC(=O)C(=C)C2C1O
|
|
| MolPort-023-198-070 |
0.61 |
O=C1CCC2(CCOCC2)C=C1
|
|
| MolPort-003-958-686 |
0.61 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)CO
|
|
| MolPort-042-675-409 |
0.61 |
CCC(OC)C(O)C\C=C/C\C=C/CCCCCCCC(O)=O
|
|
| MolPort-044-561-576 |
0.61 |
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCOC(CC)C(O)=O
|
|
| MolPort-046-629-011 |
0.61 |
CCCCC\C=C\C1=C(CO)[C@@H](O)[C@H]2O[C@@]2(C\C=C(/C)C(O)=O)C1=O
|
|
| MolPort-002-525-351 |
0.61 |
CC1CC(=O)C2=C(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12
|
|
| MolPort-027-641-444 |
0.61 |
C[C@H](CCC(O)=O)C[C@H](C)C[C@H](C)C(=O)\C=C(/O)[C@H](C)C[C@H](C)C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)CC1CC[C@](C)(O1)[C@H]1CC[C@](C)(O1)[C@@H](C)O
|
|
| MolPort-023-276-325 |
0.61 |
C[C@H](CCC(O)=O)C[C@H](C)C[C@H](C)C(=O)\C=C(/O)[C@H](C)C[C@H](C)C\C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@](C)(O1)[C@@H](C)O
|
|
| MolPort-001-740-745 |
0.61 |
CC1CC2OC(=O)C(=C)C2CC=C1CCC(C)=O
|
|
| MolPort-046-158-328 |
0.61 |
CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-023-276-091 |
0.61 |
CC1=C(O)C(=O)[C@@H]2O[C@@H]2C1=O
|
|
| MolPort-046-689-350 |
0.61 |
C[C@@H]1C[C@H](OC(=O)C(C)(C)C=C)[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1
|
|
| MolPort-046-762-598 |
0.61 |
CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-006-127-472 |
0.61 |
CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-028-600-130 |
0.61 |
C[C@H]1[C@@H]2CC[C@](C)(O)[C@@H]3[C@H]4[C@H]5C=C(C)[C@@]6([C@H]7OC(=O)[C@@H](C)[C@@H]7CC[C@](C)(O)[C@H]56)[C@H]4C(C)=C3[C@H]2OC1=O
|
|
| MolPort-005-944-832 |
0.61 |
CCC(C)CC(=O)OC1C(C(C)C)C(O)C=C(CO)C1=O
|
|
| MolPort-046-153-083 |
0.61 |
C\C(CCC1=C(CC(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C2C(C)(CO)CCCC12C)C=O)=C\CO
|
|
| MolPort-016-638-434 |
0.61 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-002-512-883 |
0.61 |
CC(C)COCC1CC2(CC(C)C(=O)C=C2O)C(=O)O1
|
|
| MolPort-001-942-596 |
0.61 |
C1CCC2(CC1)OC1CCCCC1C1=CCCCC21
|
|
| MolPort-002-511-651 |
0.61 |
C1CCC2(CC1)O[C@@H]1CCCCC1C1=CCCCC21
|
|
| MolPort-002-800-510 |
0.61 |
CC(C)(C)OC1CCC2(C)C3CCC4(C)C(O)CCC4C3CC=C2C1
|
|
| MolPort-002-135-200 |
0.61 |
CC(C)C1OC2CCCCC2C2=CCCCC12
|
|
| MolPort-002-135-199 |
0.61 |
CCCC1OC2CCCCC2C2=CCCCC12
|
|
| MolPort-002-506-971 |
0.61 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-002-524-164 |
0.61 |
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
|
|
| MolPort-002-510-540 |
0.61 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-006-069-223 |
0.61 |
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-002-507-401 |
0.61 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-010-969-194 |
0.61 |
CC1CC2C3CCC4CC(=O)CCC4(C)C3=CCC2(C)C1(O)C(=O)COC(C)=O
|
|
| MolPort-002-510-498 |
0.61 |
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
|
|
| MolPort-001-932-115 |
0.61 |
CC(=O)OCC(=O)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-046-596-360 |
0.61 |
C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-046-598-125 |
0.61 |
CCC(=O)C1=CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
|
|
| MolPort-003-892-390 |
0.61 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-002-528-163 |
0.61 |
CCC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-000-725-088 |
0.61 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-046-156-417 |
0.61 |
C[C@@]12C[C@@H](OC1=O)[C@]1(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1C2
|
|
| MolPort-044-755-223 |
0.61 |
CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1OC(C)=O)OC(C)=O
|
|
| MolPort-044-755-247 |
0.61 |
CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O)OC(C)=O
|
|
| MolPort-046-596-261 |
0.61 |
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-002-511-686 |
0.61 |
CC(=O)OCCCCC1OC2CCCC[C@H]2C2=CCCCC12
|
|
| MolPort-002-116-802 |
0.61 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC(C)=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-000-776-376 |
0.61 |
CCCOC(=O)C12CCC(C)(C)CC1C1=CCC3[C@@]4(C)CC(OC(C)=O)C(OC(C)=O)C(C)(C)C4CC[C@@]3(C)C1(C)CC2
|
|
| MolPort-002-525-134 |
0.61 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C)=C4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-046-596-237 |
0.61 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC(C)=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-039-139-020 |
0.60 |
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OCC(O)CO
|
|
| MolPort-046-688-863 |
0.60 |
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]12C
|
|
| MolPort-046-685-782 |
0.60 |
CC1=C[C@H]2O[C@@H]3[C@@H](O)C[C@@](C)([C@]33CO3)[C@@]2(CO)[C@H](O)C1=O
|
|
| MolPort-046-767-512 |
0.60 |
CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@](C)([C@]33CO3)[C@@]2(CO)[C@@H](O)C1=O
|
|
| MolPort-044-561-106 |
0.60 |
CC1=C[C@H]2O[C@@H]3[C@H](O)CC(C)(C33CO3)[C@@]2(CO)[C@H](O)C1=O
|
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| MolPort-046-697-385 |
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CC(C)(O)C1OC1C1=CC(=O)C(C)(O)CC1O
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CC1=CC2OC3[C@H](O)C[C@@](C)(C33CO3)[C@@]2(CO)[C@H](O)C1=O
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CC1=C[C@H]2O[C@@H]3[C@H](O)[C@@H](O)[C@@](C)([C@]33CO3)[C@@]2(CO)[C@H](O)C1=O
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CC1=C[C@H]2O[C@@H]3[C@H](O)C[C@@](C)([C@]33CO3)[C@@]2(CO)[C@H](O)C1=O
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CC1=CC2OC3CC(O)[C@@](C)(C33CO3)[C@@]2(C)C(O)C1=O
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CC1=C[C@H]2O[C@H]3[C@H](O)[C@@H](O)[C@](C)([C@]33CO3)[C@@]2(CO)[C@@H](O)C1=O
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CCOC(=O)C12CCCCC1=CC(=O)CC2
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CC(C)(O)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
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CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](CC(=O)O3)OC)[C@@H]12
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CC1C=C(C)CC2C1C(=O)OC2=O
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CC(=C)[C@H]1OC2CCCCC2C2=CCCC[C@@H]12
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C=CC1OC2CCCCC2C2=CCCCC12
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CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]12C
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CC(CC(OC(C)=O)C1OC1(C)C)C1=C2CC(O)C3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1
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CC1C=C(C)C[C@H]2[C@@H]1C(=O)OC2=O
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CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]12C
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CC1=CC[C@@H](O)[C@]2(C)CC[C@@H]3[C@H](OC(=O)C3=C)[C@@H]12
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CC1(C)C=CC(=O)[C@]23CO[C@@](O)([C@@H](O)[C@H]12)[C@@]12C[C@@H](CC[C@@H]31)C(=C)C2=O
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CC1=CCC(O)C2(C)CCC3C(OC(=O)C3=C)C12
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CC1(C)CCCC2=C1CC1C(C2)C(=O)OC1=O
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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
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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
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C1=C(CO)C(C(OC(=O)CC(C)C)C(C1O)C(C)C)=O
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C1C(C)(C)C(CO[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C(C)=CC1=O
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[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
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C1(C(O)CC(O)(C)C(C=1)=O)C1OC1C(O)(C)C
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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
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C1(OC(CC(C1OC1OC(C)C(O)C(O)C1O)OC)OC1C(CC(OC1C)O[C@H]1CC[C@@]2(C)C(C1)=CCC1[C@]3(O)[C@@]([C@H](O)C(O)C12)(C)[C@@H](C(C)=O)CC3)OC)C
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O=C1[C@H]([C@@]2([C@@]3([C@]4(CO4)[C@]([C@@H](C3)O)([H])O[C@]2([H])C=C1C)C)CO)O
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C12(C3[C@H](O)C[C@]1(C)[C@@]1(CO)[C@H](O)C(=O)C(=CC1O3)C)OC2
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C12(C3CC(O)[C@]1(C)[C@@]1(C)C(O)C(=O)C(=CC1O3)C)OC2
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[C@@]12(CO1)[C@@]1([H])[C@@H](C[C@]2(C)[C@@]2(CO)[C@H](O)C(=O)C(C)=C[C@@]2([H])O1)O
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C/C(/C)=C/CCC1C(=O)C(C)(C)OC1
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O=CC1(COCCC1)CC1CC=CCC1
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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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C(OCCOC(C1CCC=CC1)=O)(C1CCC=CC1)=O
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O1C(CC2C1C1(C)C(C2)C2C(CC1)C1(C)CCC(O)CC1=CC2)=O
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C(C1CCCC=C1)(=O)C(OCC)OCC
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C12(C3C=CC(C45C=CC34CC=CC5)C1([H])C(=O)OC2=O)[H]
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[C@]12(O)CC[C@]3(C(CC[C@]3(O)C#N)C1CC=C1CC3(OCCO3)CC[C@]21C)C
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C12C(C(=O)OC1=O)C1C=CC2C23CCCCC12C=C3
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C1(/C2CCC(C(=O)O)(O)C3OCC2(C3)CC/1)=C(/C)\CO
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O=C1C2C3C4C=CC4C(C=C3)C2C(=O)O1
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C1=CC2C3C(C)=C(C)C3C1C1C(=O)OC(=O)C12
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C1=CC2C3C=C(C)C3C1C1C(=O)OC(=O)C12
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C1CC2(C)C(=CC(=O)C3C2CCC2(C)C(=O)CCC32)CC1OC(=O)C
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CC(=O)O[C@H]1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C1)C)[H])C
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0.60 |
C1=CC2C3C4CCCCC=4C3C1C1C(=O)OC(=O)C12
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C12(CCC(C3C(=O)OC(=O)C13)C=C2)C(=O)O
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C1(=O)C(O)C2(C)CC3OC(=O)C(=C)C3CC2C(C)=C1
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C12CC(C(C(=O)OCC3CCCO3)C1C(O)=O)C=C2
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C1(O)C=CC(O)CCC(=O)OC(C1O)CCCCCCC
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[C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])C3[C@@](C)(C(=CC3)C(=O)COC(C)=O)C[C@H](O)C21)C)=O
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O[C@H]1[C@H](O[C@H]2[C@@](CO)(C)[C@]3([C@]([C@@]4([C@](CC3)(C)[C@]3(C([C@]5([C@]([C@@H](C3)O)(CO)[C@H](O)[C@@H](O)C(C)(C)C5)[H])=CC4)C)[H])(C)CC2)[H])O[C@H](C(=O)O)[C@@H](O)[C@@H]1O
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C1C2C3C4C(=O)OC(C=CC23)C4C=1
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C1C[C@]2(C)[C@]3([H])[C@@H](O)CC4=C([C@@H](C[C@H](OC(C)=O)[C@H]5OC5(C)C)C)CC[C@]4(C)[C@@]3(C)CC[C@@]2([H])C(C)(C)C1=O
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C12=CCCCC1C(OC1CCCCC21)C=C
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C1CCCC23C(=O)OC(=O)C2(CC=CC3)CCCCC1
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C1(=O)C2C(C)C=C(CC2C(=O)O1)C
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C12(OC1C1OC(C(O)(C)C)CC1(O)C(O)C2O)C/C=C(\C)/C
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0.60 |
O=C1[C@]2(C)[C@](CC=C3[C@@]2([H])C[C@H](O)[C@@H](O)C3(C)C)([H])[C@@]2(C)[C@]([C@H]([C@@H](C2)O)[C@@](C)(O)C(=O)CCC(C)(O)C)(C)C1
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O=C(C1CCCC1)OCC1CC=CCC1
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O=C1C2C3C=CC(CCCC3)C2C(=O)O1
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C1(CC2CC1C=C2)C(OCCCCOC(C1CCC=CC1)=O)=O
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0.60 |
[Ca+2].C[C@H](CCC(=O)[O-])C[C@H](C)C[C@H](C)C(=O)/C=C(/[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@H]([C@@H](C)[C@H](C[C@H]1O[C@@]([C@@H]2O[C@@]([C@@H](C)O)(C)CC2)(C)CC1)O)O)\[O-]
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C1[C@@H](O)[C@]2(C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@@]2([H])C(C)=C1
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C1(C)CC23CCCCCCCCCC2(C(=O)OC3=O)CC=1
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C1(CCC(C)(C(O)C)O1)C1(C)CCC(CC(O)C(C)C(O)C(C)C=CCC(C)CC(C)C([O-])=CC(=O)C(C)CC(C)CC(C)CCC(=O)[O-])O1.[Ca+2]
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0.60 |
CC1(C)C2=CCC3C4(C)CC(O)C(C(O)(C(CCC(O)(C)C)=O)C)C4(C)CC(=O)C3(C)C2CC(O)C1O
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0.60 |
[Ca+2].[C@@H]1(CC[C@@](C)([C@H](O)C)O1)[C@]1(C)CC[C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)C=CC[C@@H](C)C[C@@H](C)C([O-])=CC(=O)[C@@H](C)C[C@@H](C)C[C@@H](CCC(=O)[O-])C)O1
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[Ca+2].C(=O)([O-])CC[C@@H](C)C[C@@H](C[C@H](C)C(=O)C=C([C@@H](C[C@H](C)CC=C[C@@H](C)[C@@H](O)[C@H]([C@@H](O)C[C@]1([H])CC[C@@](C)([C@]2([H])O[C@](C)([C@H](O)C)CC2)O1)C)C)[O-])C
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[C@@]12(C/C=C(\C)/C)[C@H](C(=O)C(=O)C(C)C)[C@](C)(CC/C=C(\C)/C)[C@@H](C/C=C(/C)\C)C[C@@](C/C=C(\C)/C)(C(=O)O1)C2=O
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[C@@]123[C@@]([H])(CCC4=CC(=O)C=C[C@]14C)[C@]1([H])CC[C@](O)(C(=O)COC(C)=O)[C@]1(C[C@@H]2O3)C
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| MCULE-8384798056 |
0.60 |
[C@H]1(O)CC2C(C(C)([C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C)=CCC1[C@@]2(C)C(=O)C[C@@]2(C([C@](O)(C)C(CCC(OC(=O)C)(C)C)=O)[C@H](O)C[C@@]12C)C
|
|
| MCULE-9461183595 |
0.60 |
C/C(/C)=C/C1(CC(C2CC2)OC1)O
|
|
| MCULE-1028193763 |
0.60 |
C1C(O)C2(C(C3C(CC2)C(=C)C(=O)O3)C(C)=C1)C
|
|
| MCULE-2972497233 |
0.60 |
C1CC2(C)C3C(=O)CC4(C)C(C5(CO)OC(=O)CC5)CC(O)C4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MCULE-3491107929 |
0.60 |
CC(C1CCC2(C)C=1CC(O)C1C2(C)CCC2C1(C)CCC(C2(C)C)=O)CC(OC(C)=O)C1OC1(C)C
|
|
| 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-8219277964 |
0.60 |
O=C1CCC23C4CCC5(C)C(CCC5C4(CCC2=C1)OC3)C(C1N=N1)=O
|
|
| MCULE-3556278569 |
0.60 |
O1C2(CCC(C(OCC)=O)=C(C)C2)OCC1
|
|
| MCULE-4112378800 |
0.60 |
[C@@]123CC=C(C)C1[C@@H]1[C@@H](CC[C@]2(O3)C)[C@@H](C(=O)O1)C
|
|
| MCULE-1714041310 |
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)COC(CBr)=O)[H]
|
|
| MCULE-5311613401 |
0.60 |
O1CCCCC1OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3C(C=C2C1)=O
|
|
| MCULE-3650069558 |
0.60 |
O([C@]1([C@]2([C@@](CC[C@H]1OC(=O)C1(OC1C)C)(C)CC(=O)/C(=C(\C)/C)/C2)[H])C)C(C)=O
|
|
| MCULE-1972388021 |
0.60 |
O=C(C1OCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
|
|
| MCULE-1689029135 |
0.60 |
O=C(C1OCCC=1)C1C2C(C2)CCC1
|
|
| 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-4172276793 |
0.60 |
O=C(C12CCCC1C2)C1OCCC=1
|
|
| MCULE-9683452020 |
0.60 |
C12C3C(C)=CC(C4C3C3C4C(OC3=O)=O)C1C(OC2=O)=O
|
|
| MCULE-8723675857 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](OC=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
|
|
| MCULE-2014291882 |
0.60 |
C(OCC)(C1CC=C2C1(C)CCC1C2CCC2(O)CC(O)CCC21CO)=O
|
|
| MCULE-9611860953 |
0.60 |
C(O)(=O)[C@]12[C@@](C3=CC[C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC1)C)C)C(C)(C)[C@@H](OC(=O)[C@]13[C@@](C4=CCC6[C@]7(C)C(CC[C@]6([C@@]4(CC1)C)C)C(C)(C)C(=O)CC7)([H])[C@@H](C)[C@H](C)CC3)CC5)([H])[C@@H](C)[C@H](C)CC2
|
|
| MCULE-1853994027 |
0.60 |
CC1(C(C2C=CCCC2)(C=O)CCO1)C
|
|
| MCULE-4063285933 |
0.60 |
O=C(C1OCCOC1)CC1CC=CC1
|
|
| MCULE-9872247716 |
0.60 |
C1(CC2CC1C=C2)OC(C)=O
|
|
| MCULE-5106187507 |
0.60 |
C1(=O)CC=CCCOC1
|
|
| MCULE-4622236046 |
0.60 |
O=C(C1CCOCC1)CC1CC=CCC1
|
|
| MCULE-8416626381 |
0.60 |
C/C(/C)=C/CCC1C(=O)COC1
|
|
| MCULE-3416493799 |
0.60 |
CC1C(CC/C=C(\C)/C)C(=O)CO1
|
|
| MCULE-2151239915 |
0.60 |
C1CC2(C3C(=CCCC3)C3C(CCCC3)O2)CC1
|
|
