| MolPort-003-664-396 |
0.97 |
CC1=C(O)C(=O)CC(C)(C)C1
|
|
| MolPort-019-994-032 |
0.95 |
C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-046-765-329 |
0.95 |
C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@H]34)[C@H]1CC[C@@H]2O
|
|
| MCULE-9656399480 |
0.95 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C(O)C1=O
|
|
| MCULE-8925145429 |
0.95 |
O=C1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C1O)C)[H])C
|
|
| MCULE-5903352413 |
0.93 |
CCCCCC1CC(=CC(=O)C1)O
|
|
| MolPort-023-332-906 |
0.93 |
CCCCCC1CC(O)=CC(=O)C1
|
|
| MolPort-046-765-469 |
0.92 |
C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC(=O)[C@]3(C)O)[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-046-765-461 |
0.92 |
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC(=O)[C@@]2(C)O
|
|
| MolPort-044-649-693 |
0.91 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
|
|
| MolPort-046-690-133 |
0.90 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@](O)(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
| MolPort-046-596-275 |
0.90 |
C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-027-835-865 |
0.90 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-002-530-358 |
0.90 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MolPort-046-764-826 |
0.90 |
[2H]C1=C2C([2H])([2H])C[C@@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
| MolPort-046-793-264 |
0.90 |
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
|
|
| MolPort-019-857-808 |
0.90 |
CC12CCC3C(C)(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
|
|
| MolPort-008-155-613 |
0.90 |
CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
|
|
| MolPort-006-394-855 |
0.90 |
[2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-005-934-866 |
0.90 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-019-940-199 |
0.90 |
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-005-938-470 |
0.90 |
CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-002-510-661 |
0.90 |
CC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-000-739-076 |
0.90 |
C[C@H]1CC2C3CC[C@](O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
|
|
| MolPort-002-526-228 |
0.90 |
C[C@H]1C[C@H]2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-002-507-146 |
0.90 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-000-738-106 |
0.90 |
CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MCULE-6552675485 |
0.90 |
C12(C)CCC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(C)=O)CCC12)C)=O
|
|
| MCULE-3390693428 |
0.90 |
C12(C)CCC3C(C)(CCC(=O)C=3)C1(C)CCC1(C)C(CCC21C)C(CO)=O
|
|
| MCULE-3135517908 |
0.90 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(C)=O
|
|
| MCULE-6305022030 |
0.90 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H](C)C[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)C)C
|
|
| MCULE-2147959975 |
0.90 |
C1[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(O)C(C)=O)=CC(=O)C1
|
|
| MCULE-1251158415 |
0.90 |
[C@@]12([H])CC[C@](O)(C(=O)C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
|
|
| MCULE-1412596642 |
0.90 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(C)=O)[H]
|
|
| MCULE-4728366427 |
0.90 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(CO)=O)[H]
|
|
| MCULE-4839802180 |
0.90 |
[C@@]12([H])CC[C@H](C(=O)CO)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
|
|
| MCULE-8934502311 |
0.90 |
C1(=O)CCC2(C)C3CCC4(C)C(C(CO)=O)CCC4C3(C)CCC2=C1
|
|
| MCULE-5054990207 |
0.90 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(CO)=O
|
|
| MCULE-8197236760 |
0.90 |
CC12CCC3([H])C4(CCC(=O)C=C4C(C)CC3([H])C1([H])CCC2(O)C(=O)C)C
|
|
| MCULE-7929696567 |
0.90 |
C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O
|
|
| MolPort-035-706-531 |
0.90 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-042-675-343 |
0.90 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-002-709-805 |
0.88 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-507-128 |
0.88 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MCULE-8394821836 |
0.88 |
C12(C)C(=O)C=C(O)C(CC1)C2(C)C
|
|
| MCULE-8116500557 |
0.88 |
C1(C=O)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-9765892541 |
0.88 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-1153477483 |
0.88 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)(C(=O)CO)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-8877595522 |
0.88 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-2400907851 |
0.88 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
|
|
| MCULE-3333652397 |
0.88 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2O)C)=O
|
|
| MCULE-8431742814 |
0.88 |
O=C1C(C)CC(C)C(O)=C1
|
|
| MCULE-3841271177 |
0.88 |
C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2
|
|
| MCULE-1455068472 |
0.88 |
C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1
|
|
| MCULE-5063748511 |
0.88 |
C12CCC3=CC([C@H](C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
|
|
| MCULE-3946245376 |
0.88 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(C)O)C)=O
|
|
| MCULE-4464327459 |
0.88 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-4241274271 |
0.88 |
C1(=O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
|
|
| MCULE-1660040884 |
0.88 |
C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4)([H])[C@]1([H])CC[C@@]2(O)C
|
|
| MCULE-3945869814 |
0.88 |
C12C(=O)C[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CCC1C=2CC[C@@]2([C@]1(C)CC[C@@H](O)C2)[H]
|
|
| MCULE-8721567365 |
0.88 |
[C@@]12(C)C(O)CC[C@@]1([H])[C@]1([C@@]([H])(C3CCC(C=C3CC1)=O)CC2)[H]
|
|
| MCULE-5274452426 |
0.88 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
|
|
| MCULE-9209606443 |
0.88 |
C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
|
|
| MCULE-7998597001 |
0.88 |
C[C@H]1[C@H]2[C@H]3[C@](C)(CC[C@@H]2[C@@H]2C(=CC(CC2)=O)C1)[C@](O)(C)CC3
|
|
| MCULE-5773428311 |
0.88 |
C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
|
|
| MCULE-9131674305 |
0.88 |
O=C1CCC2(C)C3CCC4(C)C(CO)CCC4C3CCC2=C1
|
|
| MCULE-2653535248 |
0.88 |
C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
|
|
| MCULE-2605863241 |
0.88 |
C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
|
|
| MCULE-1990275167 |
0.88 |
C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
|
|
| MCULE-1294118086 |
0.88 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)=O
|
|
| MCULE-4819154807 |
0.88 |
C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
|
|
| MCULE-1065645853 |
0.88 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2(C)O)C)=O
|
|
| MCULE-1657159254 |
0.88 |
[C@@]12(C)[C@@H](O)CC[C@@]1([H])[C@]1([C@@]([H])([C@H]3CCC(C=C3CC1)=O)CC2)[H]
|
|
| MolPort-046-764-442 |
0.88 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
| MolPort-046-693-157 |
0.88 |
CC1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]23)CC1=O
|
|
| MolPort-039-338-302 |
0.88 |
C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
|
|
| MolPort-039-338-398 |
0.88 |
C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O
|
|
| MolPort-000-146-103 |
0.88 |
CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-765-305 |
0.88 |
CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O
|
|
| MolPort-001-741-118 |
0.88 |
C[C@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MolPort-046-417-742 |
0.88 |
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
|
|
| MolPort-001-740-352 |
0.88 |
C[C@@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MolPort-046-596-387 |
0.88 |
CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-596-410 |
0.88 |
C[C@]1(O)CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-038-386-656 |
0.88 |
CC1C(CCC(O)=O)C2CCCCC2=CC1=O
|
|
| MolPort-001-740-351 |
0.88 |
CC(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MolPort-046-690-504 |
0.88 |
C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-691-031 |
0.88 |
[2H]C1([2H])C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1([2H])O
|
|
| MolPort-002-527-294 |
0.88 |
CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-742-412 |
0.88 |
CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O
|
|
| MolPort-001-742-304 |
0.88 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O
|
|
| MolPort-019-997-276 |
0.88 |
C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O
|
|
| MolPort-002-911-071 |
0.88 |
C[C@@H]1CC2(C)C3CCC4(C)C(CC[C@]4(C)O)C3CCC2=CC1=O
|
|
| MolPort-002-911-080 |
0.88 |
C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
|
|
| MolPort-002-911-141 |
0.88 |
CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-002-911-148 |
0.88 |
CCC1=C2CCC3C4CC[C@](C)(O)C4(C)CCC3C2(C)CCC1=O
|
|
| MolPort-002-526-059 |
0.88 |
C[C@]1(O)CCC2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-003-849-312 |
0.88 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
|
|
| MolPort-004-285-983 |
0.88 |
CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-002-520-919 |
0.88 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CCC2O
|
|
| MolPort-005-937-958 |
0.88 |
C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-005-944-708 |
0.88 |
C[C@]12CCC[C@](C)(C1CCC1=CC(=O)CCC21)C(O)=O
|
|
| MolPort-006-069-421 |
0.88 |
C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-006-111-052 |
0.88 |
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-507-387 |
0.88 |
C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-507-282 |
0.88 |
CC1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-785-932 |
0.88 |
CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-765-340 |
0.88 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-046-793-369 |
0.88 |
[2H][C@@H]1C[C@H]2[C@H]3CC[C@@H]([C@@H](C)O)[C@@]3(C)CCC2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
|
|
| MolPort-046-793-201 |
0.88 |
C[C@]12CC[C@H]3[C@@H](CCC4=C[13C](=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-046-765-861 |
0.88 |
[2H][C@@H]1C[C@H]2[C@H]3CC[C@@H](C(C)O)[C@]3(C)CC[C@H]2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
|
|
| MolPort-002-549-690 |
0.86 |
[Cu++].CCC(=O)C1=C([O-])CCCC1=O.CCC(=O)C1=C([O-])CCCC1=O
|
|
| MolPort-003-892-478 |
0.86 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(CO)CC[C@H]21
|
|
| MCULE-2665091779 |
0.86 |
C12(CO)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(CO)=O)[H]
|
|
| MCULE-1387376761 |
0.86 |
C12CCC(O)C1(C)CCC1=CC(=O)CCC21
|
|
| MCULE-9848650209 |
0.86 |
O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)CC[C@@](C(=O)O)(C)C[C@H]4C3=CC([C@@H]12)=O
|
|
| MCULE-5560129850 |
0.86 |
C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@@](O)(CO)C)C2)[C@@H]1C
|
|
| MCULE-7591106214 |
0.86 |
C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@](O)(CO)C)C2)[C@@H]1C
|
|
| MCULE-6199732071 |
0.86 |
C1(=O)C[C@@]2([H])[C@H](C)C[C@@H](O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MCULE-1785744667 |
0.86 |
C1(C[C@@]2([H])[C@H](C)C[C@H](O)[C@H]([C@@]2([H])C=C1C)C(C)C)=O
|
|
| MCULE-8997971805 |
0.86 |
[C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(C)O)CCC12)=O
|
|
| MCULE-4676598997 |
0.86 |
C12[C@@]3([H])[C@](C)(CC[C@](C)(C(O)=O)C3)CC[C@@]1(C)[C@]1([C@]([H])(C(=O)C=2)[C@@]2(C)CC[C@@H](C(C)(C)[C@@]2(CC1)[H])O)C
|
|
| MCULE-3741444667 |
0.86 |
C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
|
|
| MCULE-1566569432 |
0.86 |
[C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(CC)O)CCC12)=O
|
|
| MCULE-9549608104 |
0.86 |
C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O
|
|
| MolPort-002-507-411 |
0.86 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C=C
|
|
| MolPort-039-062-015 |
0.86 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-039-138-901 |
0.86 |
C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-000-772-330 |
0.86 |
CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-039-141-884 |
0.86 |
C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@](C)(O)CO
|
|
| MolPort-002-524-552 |
0.86 |
CC1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-003-666-072 |
0.86 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-002-507-130 |
0.86 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-001-837-773 |
0.86 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C=C
|
|
| MolPort-001-785-920 |
0.86 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(O)=O
|
|
| MolPort-001-742-604 |
0.86 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-001-742-443 |
0.86 |
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C
|
|
| MolPort-044-183-250 |
0.86 |
C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-141-882 |
0.86 |
C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@@](C)(O)CO
|
|
| MolPort-046-690-137 |
0.86 |
CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-007-980-884 |
0.86 |
CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-035-706-198 |
0.86 |
CC(C)[C@@H]1[C@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
|
|
| MolPort-008-322-980 |
0.86 |
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O
|
|
| MolPort-035-681-549 |
0.86 |
C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-005-945-648 |
0.86 |
CC(C)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
|
|
| MolPort-027-835-537 |
0.86 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-005-932-301 |
0.86 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
|
|
| MolPort-023-220-126 |
0.86 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-023-219-645 |
0.86 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2C(O)=O
|
|
| MolPort-004-802-886 |
0.85 |
CC1CCC(O)=CC1=O
|
|
| MCULE-6438933973 |
0.85 |
CC(C(CC1CC=CCC1)=O)(O)C
|
|
| MolPort-044-649-708 |
0.85 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-002-512-114 |
0.84 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MolPort-046-689-150 |
0.84 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
| MolPort-005-943-420 |
0.84 |
CC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-509-760 |
0.84 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC=C2C(=O)CO
|
|
| MolPort-003-892-472 |
0.84 |
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
|
|
| MolPort-039-009-099 |
0.84 |
CC(=O)C1(O)C(=C)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MCULE-6520929159 |
0.84 |
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@]([H])(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-1874567277 |
0.84 |
[C@@]12(C)[C@@H](C(CO)=O)CC[C@@]1([H])[C@]1([C@]([H])([C@@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-4050021987 |
0.84 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC=C2C(CO)=O
|
|
| MCULE-8869963478 |
0.84 |
C1(=O)CCC2(C)C3C(O)CC4(C)C(C(CO)=O)CCC4C3CCC2=C1
|
|
| MCULE-5532688938 |
0.84 |
C12(C)CCC3C4(C)CCC(=O)C=C4CCC3C1CC(=C)C2(O)C(=O)C
|
|
| MCULE-9707443606 |
0.84 |
C1C[C@]2(C)[C@@]3([H])C(=O)C=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O
|
|
| MCULE-6464655857 |
0.84 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])([C@@H](C)C(=O)O)[C@@]2([H])C(=O)C=1C
|
|
| MCULE-4737898468 |
0.84 |
[H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1C(C2)=O
|
|
| MCULE-2700455616 |
0.84 |
C1CC2(C)C3C(=O)C=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C)(C(=O)O)C1O
|
|
| MCULE-8721851502 |
0.84 |
[C@@]12(C)C[C@@H](O)[C@@H]([C@](C)(CCC(C)(O)C=C)[C@@]1([H])CC(=O)C=C2C)C
|
|
| MCULE-6957829896 |
0.84 |
[C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O
|
|
| MCULE-5230788025 |
0.84 |
C1(=C(/CCCCCCCCCCCCC)\O)\C(=O)CC(CC\1=O)(C)C
|
|
| MCULE-3473010637 |
0.84 |
O=C1CCC2(C)C3C(O)CC4(C)CCCC4C3CCC2=C1
|
|
| MCULE-4914143446 |
0.84 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)C1=O
|
|
| MolPort-046-196-745 |
0.84 |
C[CH]C1CC[C]2[C]1CCC1[C]3C[CH][C@H](O)C[C@H]3C(=O)C=C21
|
|
| MolPort-002-841-841 |
0.84 |
CC(C)CCCC(C)C1CCC2C(C(CC[C@]12C)[C@@]1(C)CCC(=O)C=C1)C(O)=O
|
|
| MolPort-046-688-079 |
0.84 |
CC(C1CC=C(C)C(=O)C1)C(O)=O
|
|
| MolPort-001-742-062 |
0.84 |
CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
|
|
| MolPort-002-530-019 |
0.84 |
C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@]1(C)CCC(C)(O)C=C
|
|
| MolPort-016-638-416 |
0.84 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@@H](O)[C@@](C)(C5CC[C@@]34C)C(O)=O)C2[C@H]1C
|
|
| MolPort-020-005-948 |
0.84 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
|
|
| MolPort-039-338-840 |
0.84 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
| MolPort-035-706-403 |
0.84 |
CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC(=O)[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
|
|
| MolPort-044-637-462 |
0.84 |
CC1CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
|
|
| MolPort-046-790-505 |
0.84 |
C[C@H]1CC(=O)C=C2CC[C@H](C[C@]12C)C(=C)C(O)=O
|
|
| MolPort-002-516-984 |
0.84 |
C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CCC(C)(O)C=C
|
|
| MolPort-002-515-602 |
0.84 |
CCCCCCCCCCCCCC(O)=C1C(=O)CC(C)(C)CC1=O
|
|
| MolPort-035-706-203 |
0.84 |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CC=C(C)C(=O)[C@H]12)C(O)=O
|
|
| MolPort-002-506-866 |
0.83 |
CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-525-755 |
0.83 |
CC(=O)C1=CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-509-435 |
0.83 |
CC(=O)C1=CCC2[C@@H]3CC[C@H]4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-007-980-847 |
0.83 |
CC(=O)C1=CCC2C3CC[C@H]4C[C@H](O)CCC4(C)C3CCC12C
|
|
| MolPort-006-113-734 |
0.82 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
|
|
| MolPort-006-112-202 |
0.82 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-027-720-808 |
0.82 |
CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-046-792-935 |
0.82 |
CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C
|
|
| MolPort-039-338-477 |
0.82 |
CC1(C)[C@@H](O)C(=O)C=C2[C@H]1CC[C@@H]1C[C@@](C)(CC[C@@]21C)C=C
|
|
| MCULE-5225374056 |
0.82 |
CC(C(CC1C2C=CC(CC2)C1)=O)O
|
|
| MCULE-2735934269 |
0.82 |
OC1(C(CC2CC=CCC2)=O)CCCC1
|
|
| MCULE-2546809155 |
0.82 |
CC(C(CC1C2C=CC(CC2)C1)=O)(O)C
|
|
| MCULE-3632970812 |
0.82 |
O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
|
|
| MCULE-2170216646 |
0.82 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(C)=O
|
|
| MCULE-5797410500 |
0.82 |
O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CCC2=C1)C(C)=O
|
|
| MCULE-7932579394 |
0.82 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2=C1)C(CO)=O
|
|
| MCULE-3516804753 |
0.82 |
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@H](C(C(O)O)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-6793463685 |
0.82 |
O=C1CCC2(C)C(=C1)CCC1C(O)CCC(O)C21
|
|
| MCULE-8807729080 |
0.82 |
[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)=O
|
|
| MCULE-4823405948 |
0.82 |
[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(CC[C@]21C)=O)=O
|
|
| MCULE-6482685801 |
0.82 |
C1CC2(C)C3C(=O)CC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-2011201542 |
0.82 |
[C@]12(C)CCC([C@H](C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC=CC1=O
|
|
| MCULE-4690967590 |
0.82 |
C12(C)CCC(C=C1C(C)CC1([H])C3(C(C)(C(CC3)C(C)=O)CC(O)C21[H])[H])=O
|
|
| MCULE-1842199780 |
0.82 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-9151137367 |
0.82 |
O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(C)=O
|
|
| MCULE-2506206785 |
0.82 |
[C@@]12(C)C(=O)CCC1[C@]1(C([C@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-7472546811 |
0.82 |
C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-]
|
|
| MCULE-7010605333 |
0.82 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@H](C(=O)C)CC3)C[C@@H]2C
|
|
| MCULE-9449984869 |
0.82 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-4586192863 |
0.82 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)=O
|
|
| MCULE-5701652206 |
0.82 |
C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
|
|
| MolPort-002-526-521 |
0.82 |
C[C@]12C[C@@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CCC2=O
|
|
| MolPort-006-069-321 |
0.82 |
CC(=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-003-940-126 |
0.82 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-002-507-121 |
0.82 |
CC(=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-003-958-619 |
0.82 |
C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-002-510-335 |
0.82 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]12C
|
|
| MolPort-002-841-842 |
0.82 |
CC(C)CCCC(C)C1CCC2[C@H](C(CC[C@]12C)[C@@]1(C)CCC=CC1=O)C(O)=O
|
|
| MolPort-000-480-394 |
0.82 |
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
|
|
| MolPort-046-153-151 |
0.82 |
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-046-765-405 |
0.82 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
|
|
| MCULE-6934036262 |
0.81 |
C1(C(CCCC(C2C(=O)CC(CC2=O)(C)C)C2C(=O)CC(CC=2O)(C)C)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-8322667113 |
0.81 |
C1(C(CC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-7420090326 |
0.81 |
C1(C(C)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-3077397941 |
0.81 |
C1(C(CCCC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-1643283288 |
0.81 |
C1(C(=O)CC(CC=1O)(C)C)C(C(C)C)C1C(=O)CC(CC1=O)(C)C
|
|
| MCULE-7903507006 |
0.81 |
C1(C(CCC)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MolPort-009-015-247 |
0.81 |
CCCCC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
|
|
| MolPort-001-995-568 |
0.81 |
CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1
|
|
| MolPort-002-130-411 |
0.81 |
CC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
|
|
| MolPort-001-011-949 |
0.81 |
CCC(C1C(=O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
|
|
| MolPort-002-529-087 |
0.80 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-000-713-768 |
0.80 |
CC12C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-001-794-637 |
0.80 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-196-703 |
0.80 |
C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)C(O)=O
|
|
| MolPort-035-924-387 |
0.80 |
CC12CCC(=O)C=C1CCC1C3CCC(C(=O)CO)C3(CC(O)C21)C=O
|
|
| MolPort-002-932-776 |
0.80 |
CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-019-949-553 |
0.80 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-002-176-715 |
0.80 |
CC(=O)C1(O)CCC2C3CC(=C)C4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-766-234 |
0.80 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)C21)C=O
|
|
| MolPort-046-766-226 |
0.80 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C3C[C@@H](O)C21)C(=O)CO
|
|
| MolPort-006-393-332 |
0.80 |
[2H]C1([2H])[C@]([2H])(O)C2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)C2CCC(O)(C(=O)CO)[C@@]12C
|
|
| MolPort-006-069-316 |
0.80 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
|
|
| MolPort-002-510-100 |
0.80 |
CC(=O)[C@@]1(O)CCC2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-793-262 |
0.80 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-793-261 |
0.80 |
C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-596-366 |
0.80 |
CC(=O)[C@@]1(O)CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-157-619 |
0.80 |
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-023-279-448 |
0.80 |
C[C@@H]1CC2C3CCC4=CC(=O)CCC4(C)C3[C@@H](O)CC2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-006-391-847 |
0.80 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@]4(C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O)C=O
|
|
| MolPort-007-980-854 |
0.80 |
CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-006-131-902 |
0.80 |
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-683-789 |
0.80 |
[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
|
|
| MolPort-006-113-487 |
0.80 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MCULE-9921246997 |
0.80 |
O[C@H]1C[C@]2(C=O)[C@@H](C(CO)=O)CC[C@H]2[C@@H]2CCC3=CC(CC[C@]3(C)[C@H]21)=O
|
|
| MCULE-7299298141 |
0.80 |
[C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-4822409054 |
0.80 |
C12(C)C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
|
|
| MCULE-8646276663 |
0.80 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-2022303549 |
0.80 |
C1(=O)CCC2(C)C3C(O)CC4(C=O)C(C(CO)=O)CCC4C3CCC2=C1
|
|
| MCULE-3935898183 |
0.80 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2
|
|
| MCULE-8463642691 |
0.80 |
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@](O)(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-5480996294 |
0.80 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(CO)=O
|
|
| MCULE-8953627920 |
0.80 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-2445362476 |
0.80 |
C12=CC(CCC1(C)C1C(C3CCC(O)(C(C)=O)C3(CC1)C)CC2=C)=O
|
|
| MCULE-5186769141 |
0.80 |
C12(C)C[C@H](O)C3C(CCC4=CC(=O)CCC34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
|
|
| MCULE-4398945581 |
0.80 |
C12(C)CC(=O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-2791131855 |
0.80 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-6821384626 |
0.80 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)(O)[H]
|
|
| MCULE-8041079323 |
0.80 |
C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-].[K+]
|
|
| MCULE-8499932204 |
0.80 |
C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3[C@H](O)C[C@@]2([H])[C@@](CO)(C)C1
|
|
| MCULE-1627239407 |
0.80 |
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])C[C@@H](O)C2=CC1=O
|
|
| MCULE-2196052177 |
0.80 |
[K+].C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
|
|
| MCULE-1010776591 |
0.80 |
C1C[C@@]2(C)C(C(C)(C)C1)C(=O)C=C(C)[C@@H]2CO
|
|
| MCULE-1479199763 |
0.80 |
C1(=O)C(C)=CCC(C(C)CC(=O)O)(C(C(C)C)=O)C1
|
|
| MCULE-8193803152 |
0.80 |
CC1([C@H](CC[C@@]2(C3CC[C@@]4(C)[C@@](C)(CC[C@@H]4[C@@H](C(C/C=C(\C)/C)O)C)C=3C(=O)C[C@@]12[H])C)O)C
|
|
| MCULE-5208181398 |
0.80 |
C1(C(=C(O)C(=O)C23C1C(C)C=CC2CCC(=O)C3)C)=O
|
|
| MCULE-9857200349 |
0.80 |
C1(CCC(CC=1)C(C)(C)C)C(O)=O
|
|
| MCULE-3750924928 |
0.80 |
C1C(C=O)=C[C@H](O)[C@@H](C(C)C)C1
|
|
| MCULE-9150714373 |
0.80 |
C1(C(C)(C)CCCC=1C)C(O)=O
|
|
| MCULE-2797527002 |
0.80 |
C1(C(=O)O)=CCC(CCCCCC)CC1
|
|
| MolPort-003-983-803 |
0.80 |
[K+].CCC[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC([O-])=O)[C@H]12
|
|
| MolPort-046-761-814 |
0.80 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=O
|
|
| MolPort-046-689-989 |
0.80 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-003-848-083 |
0.80 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-046-196-836 |
0.80 |
C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-046-790-504 |
0.80 |
CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
|
|
| MolPort-039-052-422 |
0.80 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-001-739-597 |
0.80 |
CC1=CC(=O)C2C(C)(C)CCC[C@]2(C)[C@H]1CO
|
|
| MolPort-044-649-596 |
0.80 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-044-723-276 |
0.80 |
C[C@@]1(CO)CCC[C@]2(C)[C@H]3CCC(=O)C=C3[C@H](O)C[C@@H]12
|
|
| MolPort-044-723-310 |
0.80 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-039-339-172 |
0.80 |
C[C@@H]1CC[C@@]2(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]2[C@H]1C)C(O)=O
|
|
| MolPort-028-610-018 |
0.80 |
CC1C=CC2CCC(=O)CC22C1C(=O)C(C)=C(O)C2=O
|
|
| MolPort-035-706-109 |
0.80 |
CC(C)[C@H]1CCC(C=O)=C[C@@H]1O
|
|
| MolPort-021-804-689 |
0.80 |
CC(C)CC(=O)CC(C)C1CCC(=CC1)C(O)=O
|
|
| MolPort-006-111-373 |
0.80 |
CC1=C(C(O)=O)C(C)(C)CCC1
|
|
| MolPort-002-800-680 |
0.80 |
CC(C)(C)C1CCC(=CC1)C(O)=O
|
|
| MCULE-1067345384 |
0.79 |
[C@]12(CO)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CO)O
|
|
| MCULE-6251052191 |
0.79 |
C12(C)CCC3C(CCC4=C(C(=O)CCC43)C)C1CC(C#C)C2O
|
|
| MCULE-7929024326 |
0.79 |
C1(O)C(=O)C=C(C)C2(CCC(C(O)(CO)C)C2)C1C
|
|
| MCULE-7650700083 |
0.79 |
O=C1C2CC=CCC2(C)C(C(O)=C1)=O
|
|
| MCULE-2776644728 |
0.79 |
C12(CC)CCC3C(CCC4=CC(=O)CCC43)C1C[C@@H](C#C)C2O
|
|
| MCULE-3983794608 |
0.79 |
OC1C(=O)CCC=1CC
|
|
| MCULE-9024921933 |
0.79 |
OC(C(CC1C2C=CC(CC2)C1)=O)=O
|
|
| MolPort-039-338-301 |
0.79 |
CC1C(O)C(=O)C=C(C)C11CCC(C1)C(C)(O)CO
|
|
| MolPort-046-589-843 |
0.79 |
COCC(=O)[C]1CC[C@@H]2[C]1C[CH][C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
|
|
| MolPort-007-980-824 |
0.79 |
CCC12CCC3C(CCC4=CC(=O)CCC34)C1C[C@@H](C#C)C2O
|
|
| MolPort-035-668-919 |
0.79 |
CC1=C2CCC3C4C[C@@H](C#C)C(O)C4(C)CCC3C2CCC1=O
|
|
| MolPort-006-111-863 |
0.79 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(CO)C[C@H](O)[C@H]21
|
|
| MolPort-000-003-562 |
0.79 |
CCC1=C(O)C(=O)CC1
|
|
| MolPort-023-299-005 |
0.78 |
CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
|
|
| MolPort-046-596-344 |
0.78 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CCC2O
|
|
| MolPort-039-338-393 |
0.78 |
CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
|
|
| MolPort-002-513-837 |
0.78 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1C1C3C(=O)C=CC1=O
|
|
| MolPort-023-298-994 |
0.78 |
CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
|
|
| MolPort-002-510-704 |
0.78 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2O
|
|
| MolPort-035-706-266 |
0.78 |
C[C@@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-002-525-628 |
0.78 |
CC(=O)[C@H]1C[C@H](O)C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C[C@@H](O)[C@]12C
|
|
| MolPort-002-526-056 |
0.78 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@]12C
|
|
| MolPort-046-761-514 |
0.78 |
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
|
|
| MolPort-044-561-334 |
0.78 |
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](O)CC1=CC3=O
|
|
| MolPort-035-706-267 |
0.78 |
C[C@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-002-800-179 |
0.78 |
CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(O)C1
|
|
| MolPort-046-790-392 |
0.78 |
C[C@@H]1CC(=O)C=C2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@@]12C
|
|
| MolPort-002-911-143 |
0.78 |
C[C@]1(O)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
|
|
| MolPort-035-706-299 |
0.78 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
|
|
| MolPort-030-084-563 |
0.78 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CCC2=O
|
|
| MolPort-021-804-809 |
0.78 |
CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
|
|
| MolPort-002-510-183 |
0.78 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CCC2=O
|
|
| MolPort-046-693-184 |
0.78 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
|
|
| MolPort-046-690-063 |
0.78 |
[2H]C([2H])(CCC(C)CO)[C@@H](C)[C@@H]1C([2H])([2H])C[C@@H]2[C@@H]3[C@@H](CC[C@@]12C)[C@]1(C)CC[C@H](O)CC1=CC3=O
|
|
| MolPort-046-683-739 |
0.78 |
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C([2H])([2H])[2H]
|
|
| MolPort-046-761-519 |
0.78 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-689-970 |
0.78 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-019-937-542 |
0.78 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O
|
|
| MolPort-006-394-318 |
0.78 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MCULE-9024219601 |
0.78 |
C1C2(CO)C(CCC3C2CCC2(C)C3CCC2=O)=CC(=O)C1
|
|
| MCULE-2810354958 |
0.78 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
|
|
| MCULE-2832089707 |
0.78 |
C1CC2(C)C3=CC(=O)C(C)(C=C)CC3CCC2C(C(=O)O)(C)C1
|
|
| MCULE-1585586063 |
0.78 |
C12C(CCC(=O)C=1)CC(C(O)=O)C2
|
|
| MCULE-4121463357 |
0.78 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](C)C(C)C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@H]1O
|
|
| MCULE-9780635677 |
0.78 |
[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CC[C@@H](C(C)C)CC)CC3)C(=O)C=2
|
|
| MCULE-3353799719 |
0.78 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(C)=O
|
|
| MCULE-3559356203 |
0.78 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)=O
|
|
| MCULE-7022735372 |
0.78 |
C1(=O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
|
|
| MCULE-7712069033 |
0.78 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O
|
|
| MCULE-2390783905 |
0.78 |
[C@]12(C)[C@H](O)CC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1[C@H](C[C@@H]2C(C)=O)O
|
|
| MCULE-8008111833 |
0.78 |
[C@]12(CO)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
|
|
| MCULE-4963816026 |
0.78 |
O=C1CCC2(C)C3CCC4(C)CCC(O)C4C3CC(O)C2=C1
|
|
| MCULE-9448141357 |
0.78 |
C12C(=O)CC(CC=1CC1(CC2(O)CC(C1)(C)C)C)(C)C
|
|
| MCULE-9301209033 |
0.78 |
[C@]12(CO)CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-8464537126 |
0.78 |
CC12C(O)CCCC1=CC(=O)CC2
|
|
| MCULE-8297407788 |
0.78 |
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])C(=O)C=C2C[C@H]1O
|
|
| MCULE-3556525470 |
0.78 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC(C)=C2C(C)=O
|
|
| MolPort-046-596-273 |
0.78 |
CC(=O)C1=C(C)CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-003-892-389 |
0.78 |
CC(=O)C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-002-527-205 |
0.78 |
CC(=O)C1=C(C)CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-506-874 |
0.78 |
CC(=O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-526-574 |
0.78 |
CC(=O)C1=CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-116-770 |
0.78 |
CC(=O)C1=C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-027-641-344 |
0.77 |
CC\C=C/C[C@H]1[C@@H](CCCCCC(O)=O)C=CC1=O
|
|
| MolPort-019-904-832 |
0.77 |
CC1CCC(=CC1)C(O)=O
|
|
| MolPort-039-060-935 |
0.77 |
CC1=C(CCC(C)(C)C1)C(O)=O
|
|
| MolPort-039-239-507 |
0.77 |
CC1(C)CCC(=CC1)C(O)=O
|
|
| MolPort-023-274-284 |
0.77 |
CC\C=C/C[C@@H]1[C@@H](CCCCCCCC(O)=O)C=CC1=O
|
|
| MolPort-004-801-991 |
0.77 |
CC1(C)CCC=C(C1)C(O)=O
|
|
| MolPort-046-693-183 |
0.77 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(O)=O
|
|
| MCULE-8346653877 |
0.77 |
CC1CC(C)(C)CCC=1C(=O)O
|
|
| MCULE-3161766037 |
0.77 |
C(O)(C1=CCCCCCCCCC1)=O
|
|
| MCULE-5967637309 |
0.77 |
O=C1C(O)=C(C2C(O)CCC2)CC1
|
|
| MCULE-8942246758 |
0.77 |
C1(C(O)=O)CC(=O)/C(=C(/C2CC2)\O)/C(=O)C1
|
|
| MCULE-7174333293 |
0.77 |
C1C(C[C@@H](CC=1C)CCC)=O
|
|
| MCULE-9392368882 |
0.77 |
C1=CC(CCC1(CCC)CCC)=O
|
|
| MCULE-9861301536 |
0.77 |
C1C(CC(CC=1C)CCC)=O
|
|
| MCULE-9290289108 |
0.77 |
C1(C)C(=O)C=CC(C(C)C)C1
|
|
| MCULE-1887138472 |
0.77 |
O=C1C(C)C(CC)C(C)C(CC)=C1
|
|
| MCULE-9551990259 |
0.77 |
CC1=CC(=O)CC(CC)C1
|
|
| MCULE-9248944569 |
0.77 |
C1C[C@]2(C([C@@](C1)(C(O)=O)C)CC(=O)C1=C2CC[C@](C)(C=C)C1)C
|
|
| MCULE-3272252898 |
0.77 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4(C3CCC2=C1)[H])C(O)=O
|
|
| MCULE-8494008475 |
0.77 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-6325385060 |
0.77 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CCC43)[C@]1([H])CC[C@]12CO1)[H]
|
|
| MCULE-9060371972 |
0.77 |
C12CC[C@H](O)[C@@]1(C)CCC(=O)C=2
|
|
| MCULE-4849477341 |
0.77 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CO)=C
|
|
| MCULE-1397397840 |
0.77 |
O=C1CCC2(O)C3CCC4(C)CC(O)CC4C3CCC2=C1
|
|
| MCULE-6501593178 |
0.77 |
C1(O)CC2(C(CO)C(C)=CC(=O)C2C(C)(C)C1)C
|
|
| MCULE-3392411245 |
0.77 |
[C@]12(O)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
|
|
| MolPort-046-158-507 |
0.77 |
C[C@@H](CCC=C(C)C)[C@H]1CCC(C)=CC1=O
|
|
| MolPort-006-115-641 |
0.77 |
CCCC1CC(C)=CC(=O)C1
|
|
| MolPort-006-110-398 |
0.77 |
CC(C)C1CCC(C)=CC1=O
|
|
| MolPort-002-506-951 |
0.77 |
CCC[C@@H]1CC(C)=CC(=O)C1
|
|
| MolPort-003-657-348 |
0.77 |
CC12CCC3C(C1CCC2=O)C(=O)C=C1CC(O)CCC31C
|
|
| MolPort-008-155-609 |
0.77 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34O)C1CCC2=O
|
|
| MolPort-046-196-704 |
0.77 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
|
|
| MolPort-039-338-120 |
0.77 |
C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(O)C(C)(C)C1CC3=O
|
|
| MolPort-044-755-253 |
0.77 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(O)CO
|
|
| MolPort-019-936-771 |
0.77 |
C\C(=C/CCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O)C(O)=O
|
|
| MolPort-044-559-994 |
0.77 |
C[C@]12CCC3(O)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-002-512-788 |
0.77 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@@H]1CCC2=O
|
|
| MolPort-019-936-866 |
0.77 |
C\C(=C/CCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-046-765-476 |
0.77 |
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3C[C@H](O)[C@]12C)C([2H])([2H])[2H]
|
|
| MolPort-046-764-570 |
0.77 |
C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
|
|
| MolPort-002-511-069 |
0.77 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=C)CO
|
|
| MolPort-002-529-268 |
0.77 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]21CO1
|
|
| MolPort-005-944-289 |
0.77 |
CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1CO
|
|
| MolPort-001-740-973 |
0.77 |
C[C@@]1(CCC2=C(C1)C(=O)CC1[C@@](C)(CCC[C@]21C)C(O)=O)C=C
|
|
| MolPort-046-765-410 |
0.77 |
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@H]1CCC2=O
|
|
| MolPort-005-934-304 |
0.77 |
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
|
|
| MolPort-035-706-462 |
0.76 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-016-633-333 |
0.76 |
CC1(C)C[C@H](C2CC[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]2C1)C(O)=O
|
|
| MolPort-046-594-431 |
0.76 |
CC(C1CCC(C)C2CCC(C)=CC12)C(O)=O
|
|
| MolPort-039-338-325 |
0.76 |
C[C@H]1[C@@H](CC[C@]2(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]12)C(O)=O
|
|
| MolPort-016-633-342 |
0.76 |
C[C@@H]1C[C@H](C2CC[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]2[C@H]1C)C(O)=O
|
|
| MolPort-039-338-737 |
0.76 |
CC(C)=CCC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3
|
|
| MolPort-006-123-577 |
0.76 |
CC1CC(=O)C(O)=C1C
|
|
| MolPort-038-941-702 |
0.76 |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C[C@H]12)C(O)=O
|
|
| MolPort-046-141-505 |
0.76 |
OC(=O)C1CC2CC=CC(C2)C1
|
|
| MolPort-006-126-388 |
0.76 |
CC(C)(O)CCCC1=CCC(CC1)C=O
|
|
| MolPort-028-754-126 |
0.76 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-035-706-191 |
0.76 |
CC1(C)CCC[C@]2(C)C=C(C=O)[C@H](O)C[C@@H]12
|
|
| MCULE-5113003290 |
0.76 |
OC(C1CC2CC(CC=C2)C1)=O
|
|
| MCULE-7147126046 |
0.76 |
C[C@@H](C(=O)O)[C@H]1[C@]2([H])[C@](CCC(=C2)C)([H])[C@H](C)CC1
|
|
| MCULE-1144217583 |
0.76 |
C1(C=O)CCC(CCCC(O)(C)C)=CC1
|
|
| MCULE-5025931577 |
0.76 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)O
|
|
| MCULE-9341616847 |
0.76 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-5327458615 |
0.76 |
CC(C(=O)O)C1C2([H])C(CCC(=C2)C)([H])C(C)CC1
|
|
| MCULE-4504483614 |
0.76 |
C[C@H]1[C@@H]2CCC(C)=C[C@@H]2[C@H]([C@H](C(O)=O)C)CC1
|
|
| MCULE-3664047551 |
0.76 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)C[C@@H](C(O)=O)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-6629316076 |
0.76 |
O=C1C(=CO)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
|
|
| MCULE-7543238538 |
0.76 |
C(O)(=O)CCC1C(=O)CCCC=1
|
|
| MCULE-6641232569 |
0.76 |
CC(C(O)=O)(CC1C2C=CC(CC2)C1)C
|
|
| MCULE-6413909495 |
0.76 |
CCCCCCCC/C=C\CCCCCCC(C(=O)O)O
|
|
| MCULE-6935719222 |
0.76 |
OC(C1C(CC2CC=CCC2)CCC1)=O
|
|
| MCULE-4980717954 |
0.76 |
C1CC(C)(CC(O)=O)C(C)(CC(=O)O)CC=1
|
|
| MCULE-5859140606 |
0.76 |
CC1CC(C(O)=O)(CC2CC=CCC2)C1
|
|
| MCULE-1202438669 |
0.76 |
C1C=CCCC(C(O)=O)CC1
|
|
| MCULE-1670830332 |
0.76 |
C(C(O)=O)C[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@]1(C(C)=C)[H]
|
|
| MCULE-4778256781 |
0.76 |
C(O)(=O)CC[C@]1(C)[C@@]2([H])CC=C3[C@]4([H])[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(C)=C
|
|
| MCULE-1528374574 |
0.76 |
OC(C1(CCC1)CC1CC=CCC1)=O
|
|
| MCULE-7270634760 |
0.76 |
OC(C1C(CC2CC=CCC2)CC1)=O
|
|
| MCULE-9038165616 |
0.76 |
CC(C(O)=O)CC1C2C=CC(CC2)C1
|
|
| MCULE-7417377682 |
0.76 |
OC(C1(CC1)CC1CC=CCC1)=O
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|
| MCULE-7258934827 |
0.76 |
C1C[C@@]2(C)[C@]([H])(/C=C/C(=O)C)C(=C)CC[C@]2([H])[C@](C(O)=O)(C)C1
|
|
| MCULE-6477437107 |
0.76 |
C1(CCCC(=O)C=1)C(O)=O
|
|
| MCULE-1323295889 |
0.76 |
C1C[C@@H](C(C(O)=O)=C)C[C@@]2([H])C(O)(CC[C@@]3([H])[C@]4([H])C[C@H](C(=C)C(=O)O)CC[C@@]4(C)C=CC3=O)C(=O)C=C[C@@]21C
|
|
| MCULE-1916767135 |
0.76 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
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| MolPort-046-792-919 |
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CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)C\C(=C/O)C1=O
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OC(=O)CC1CCC=CC1
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C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]34C)C(C)=C)[C@@H]2[C@H]1C
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OC(=O)C1CCC\C=C/CC1
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C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
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OC(=O)C[C@H]1CCC=CC1
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CCCCCCCC\C=C/CCCCCCC(O)C(O)=O
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CC(=O)\C=C\[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@]2(C)C(O)=O
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OC(=O)C1=CCCCCC1
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OC(=O)C1=CC2CCCCCCC12
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CCCCCC(=O)CC[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
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OC(=O)CCCCCCCC=CCCCCCCCC(O)=O
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CCCCCCCCC=CCCCCCCCC(O)=O
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CCCC\C=C/CCCCCCCCC(O)=O
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]2(O)C#C
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]2(O)C#C
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CC1=CC(=O)C2CC1C2(C)C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)[13C]#[13CH]
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COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C#N
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)CC#N
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CCCCCC\C=C\CCCCCCCC(O)=O
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CC[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)C#C
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CC[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@H]1CC[C@]2(O)C#C
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CC(C)CCCCCC\C=C/CCCCC(O)=O
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C#N
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CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
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CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CC[C@@]2(O)C#C
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CCCC\C=C/CCCCCCCC(O)=O
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C#C
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CCCC\C=C\CCCCCCCC(O)=O
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OC(=O)CCCCCCC\C=C\CCCCCCCC(O)=O
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C#N
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
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CC(C)C1CC(=O)C=C2CCCCC12
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COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC12CCC3C(CCC4=CC(=O)CC[C@H]34)C1CC[C@@]2(O)C#C
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CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
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CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
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CC1=CC(=O)[C@H]2C[C@@H]1C2(C)C
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CCC(C)CCCCC\C=C/CCCCC(O)=O
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OC(=O)C1=CCCCC1
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CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O
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C(CCCCCCC(=O)O)CCCC/C=C\CCCCCC
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CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
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CC12C(CC#N)(O)CCC1C1CCC3C(C)(C1CC2)CCC(=O)C=3
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CC1CC(CC2CC=CCC2)=CC(=O)C1
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[C@@]12([H])CC[C@H](C(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
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C12(C)CCCC(C)(C)C1=CC(=O)CC2
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| MCULE-5587193921 |
0.75 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCC(OC)=O
|
|
| MCULE-2278067941 |
0.75 |
C12C3C(C)(CCC(C)(C(OC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)=O)C
|
|
| MCULE-7761893081 |
0.75 |
C(CCCCCC(=O)O)CC/C=C\CCCCCCCC
|
|
| MCULE-1925425954 |
0.75 |
C12CCCCC1CCC(=O)C=2
|
|
| MCULE-1283162506 |
0.75 |
CC[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1CC2)CCC(=O)C=3
|
|
| MCULE-9685581403 |
0.75 |
C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@]2(O)C#N)=CC(=O)C1
|
|
| MCULE-5532388657 |
0.75 |
CC[C@@]12[C@@](C#C)(O)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1CC2)CCC(=O)C=3
|
|
| MCULE-8054022250 |
0.75 |
C(CCCCCCCCC=CCCCCCC)(O)=O
|
|
| MCULE-6301437684 |
0.75 |
O=C1CCC2(C3CCC4(CC)C(O)(CCC4C3CCC2=C1)C#C)[H]
|
|
| MCULE-8236621147 |
0.75 |
C12C3C(C)(CCC(C)(C(OC)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
|
|
| MCULE-9068467553 |
0.75 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CC[C@]2(O)C#N)C)=O
|
|
| MCULE-2444850987 |
0.75 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(O)C#N)C)=O
|
|
| MCULE-8950557153 |
0.75 |
C1(C)(C)[C@@H]2C[C@H]1C(=CC2=O)C
|
|
| MCULE-7592205580 |
0.75 |
C(/CCCCCC(C)CC)=C/CCCCC(O)=O
|
|
| MCULE-4216254522 |
0.75 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(O)C#C)C)=O
|
|
| MCULE-2255462467 |
0.75 |
C1C[C@]([C@@]2([C@](C1)(C)C1[C@]3(CC2)CC(=C)[C@@]([H])(C(=O)C=1)C3)[H])(C(O)=O)C
|
|
| MCULE-3410664208 |
0.75 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@@]2(O)C#C)[H]
|
|
| MCULE-3248745724 |
0.75 |
C(CCCCCCCC)=CCCCCCCCCCCCC(=O)O
|
|
| MCULE-3192846064 |
0.75 |
C12(C=CC(=O)CC1)C(=O)C=C(O)CC2(C)C
|
|
| MCULE-6346527900 |
0.75 |
C1(O)C2C3CC(C=C3)C2C(=O)C=1
|
|
| MolPort-044-727-744 |
0.75 |
CCCCCC\C=C\CCCCCCCCC(O)=O
|
|
| MolPort-038-386-020 |
0.75 |
CC(CC(=O)C=C(C)C)C1CCC(C)=CC1=O
|
|
| MolPort-044-832-300 |
0.75 |
CC1(C)[C@@H]2C[C@H]1C(=O)C=C2
|
|
| MolPort-002-527-360 |
0.75 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-000-207-693 |
0.75 |
COC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-001-740-137 |
0.75 |
CCCCCC\C=C/CCCCCCCC(O)=O
|
|
| MolPort-046-763-123 |
0.75 |
CCCC\C=C/CCCCCCCCCC(O)=O
|
|
| MolPort-002-728-977 |
0.75 |
CC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
|
|
| MolPort-009-019-050 |
0.75 |
CCCCCCCC\C=C/CCCCCC(O)=O
|
|
| MolPort-046-697-152 |
0.75 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](C(=C)C1)C(=O)C=C23)C(O)=O
|
|
| MolPort-003-849-619 |
0.75 |
[2H]C1=C2C([2H])([2H])CC3C4CC[C@@](O)(C#C)C4(C)CCC3C2([2H])CC([2H])([2H])C1=O
|
|
| MolPort-002-116-843 |
0.75 |
CC1CC2C3CCC4CC(O)CCC4(C)C3=CCC2(C)C1(O)C(C)=O
|
|
| MolPort-039-009-249 |
0.75 |
CC1(C)CC(O)=CC(=O)C11CCC(=O)C=C1
|
|
| MolPort-003-811-448 |
0.75 |
OC1=CC(=O)C2C3CC(C=C3)C12
|
|
| MolPort-046-765-264 |
0.74 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@H]1C=CC2=O
|
|
| MolPort-019-937-543 |
0.74 |
CC(CCC1(C)C(C)CCC2(C)C1CC(O)C=C2C(O)=O)CC(O)=O
|
|
| MolPort-019-937-276 |
0.74 |
CC1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
|
|
| MolPort-046-689-959 |
0.74 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1C=CC2=O
|
|
| MolPort-035-706-111 |
0.74 |
CC(C)(O)[C@H]1CCC(=CC1)C(O)=O
|
|
| MolPort-028-610-172 |
0.74 |
CC1(CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O)C=C
|
|
| MolPort-006-118-969 |
0.74 |
CC(=C)C1CCC(=CC1)C(O)=O
|
|
| MolPort-035-706-169 |
0.74 |
CC(C)CC(=O)\C=C(/C)[C@@H]1CCC(=CC1)C(O)=O
|
|
| MolPort-029-215-812 |
0.74 |
OC(=O)CC1CC2CC1C=C2
|
|
| MolPort-044-637-536 |
0.74 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-044-637-461 |
0.74 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-039-339-207 |
0.74 |
CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-039-338-149 |
0.74 |
C\C(C=O)=C/C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O
|
|
| MolPort-044-637-537 |
0.74 |
CC(C)=CCCC(C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C)C(O)=O
|
|
| MolPort-035-706-428 |
0.74 |
C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
|
|
| MolPort-039-338-736 |
0.74 |
CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-046-153-799 |
0.74 |
CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-044-727-594 |
0.74 |
CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-016-630-900 |
0.74 |
OC(=O)C[C@@H]1C[C@H]2C[C@@H]1C=C2
|
|
| MolPort-044-723-335 |
0.74 |
CC(C)=CCC[C@@H]([C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(O)=O
|
|
| MolPort-000-701-433 |
0.74 |
CC1=CC(=O)CC(C)(C)C1
|
|
| MolPort-027-949-819 |
0.74 |
CCC1(CC)CCC(=O)C=C1
|
|
| MolPort-001-794-308 |
0.74 |
CC1=C(C=O)C(C)(C)CCC1
|
|
| MolPort-006-111-488 |
0.74 |
CC(C)C1CCC(=O)C=C1
|
|
| MolPort-022-056-577 |
0.74 |
CCC1=CC(=O)CCC1
|
|
| MolPort-001-781-500 |
0.74 |
CC1CC(C)=CC(=O)C1
|
|
| MolPort-019-997-258 |
0.74 |
CC(C)C1CC=C(C)C(=O)C1
|
|
| MolPort-044-615-516 |
0.74 |
CC(C)(C)C1CCC(=O)C=C1
|
|
| MolPort-044-623-113 |
0.74 |
CCC1CCC(=O)C=C1
|
|
| MolPort-003-931-189 |
0.74 |
CC1=CC(C)(C)CCC1=O
|
|
| MolPort-003-846-085 |
0.74 |
[2H]C([2H])([2H])C1=C(C=O)C(C)(C)CCC1([2H])[2H]
|
|
| MolPort-023-197-958 |
0.74 |
CCC1(C)CCC(=O)C=C1
|
|
| MolPort-039-338-087 |
0.74 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-508-969 |
0.74 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CBr
|
|
| MolPort-046-765-411 |
0.74 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C[C@H](O)C2(O)C#C
|
|
| MCULE-8312923448 |
0.74 |
C12CCCC(=O)C=1CC(C(=O)O)CC2
|
|
| MCULE-2236994087 |
0.74 |
C1(CCC(CC=1)C(C)=C)C(O)=O
|
|
| MCULE-9742304708 |
0.74 |
C1C(C(O)=O)=CC[C@@H](C(O)(C)C)C1
|
|
| MCULE-9381861258 |
0.74 |
C1(O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
|
|
| MCULE-2460476091 |
0.74 |
C1C[C@@]([H])(/C(/C)=C/C(=O)CC(C)C)CC=C1C(=O)O
|
|
| MCULE-6190365385 |
0.74 |
C(O)(CC1(C)C(CC(O)=O)(CC=C2C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12)[H])=O
|
|
| MCULE-4320729921 |
0.74 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-6354515204 |
0.74 |
C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=O)C(=C)CC[C@@]2([H])[C@@](C(O)=O)(C)C1
|
|
| MCULE-2911613762 |
0.74 |
[C@H]1(C[C@H]2C[C@@H]1C=C2)CC(O)=O
|
|
| MCULE-3655330509 |
0.74 |
OC(C(O)=O)CC1C2C=CC(CC2)C1
|
|
| MCULE-5564101474 |
0.74 |
C1C(CC(CC=1C)(C)C)=O
|
|
| MCULE-8149754044 |
0.74 |
C(C1=CC(C)CCC1)=O
|
|
| MCULE-4391727742 |
0.74 |
C1C(CC(CC=1C)C)=O
|
|
| MCULE-1064684832 |
0.74 |
C1(CCCC)C(=O)CC(C)(C)CC=1C
|
|
| MCULE-7819289735 |
0.74 |
C1(CCCC(C)=C1C=O)(C)C
|
|
| MCULE-3331110138 |
0.74 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC(=O)[C@@]2(O)C[C@H]1O
|
|
| MCULE-4227913812 |
0.74 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CBr)=O
|
|
| MCULE-6086039312 |
0.74 |
O=C1C2(O)C(C)(CCC(O)C2)C2(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C2=C1)[H]
|
|
| MCULE-2582951504 |
0.74 |
C1CC2(C)C(C(O)=O)=CCC2C(C)(C)C1
|
|
| MCULE-9549317752 |
0.74 |
C12CC(C)(C)CC31C(C)CCC3C(C(O)=O)=C2
|
|
| MCULE-2950001631 |
0.74 |
C1CCCCCCC(C(O)=O)=C(C(O)=O)CC1
|
|
| MCULE-1190191150 |
0.74 |
OC(C1(CC1)CC1C2C=CC(CC2)C1)=O
|
|
| MCULE-6401226702 |
0.74 |
CC=CC(C1(CCCCC1)O)=O
|
|
| MolPort-019-937-489 |
0.74 |
CC12CCCC(C)(C)C1CC=C2C(O)=O
|
|
| MolPort-005-944-580 |
0.74 |
CC1CCC2C(=CC3CC(C)(C)CC123)C(O)=O
|
|
| MolPort-046-647-049 |
0.74 |
OC(=O)C1=C[C@@H]2CCCC[C@H]12
|
|
| MolPort-046-677-777 |
0.74 |
OC(=O)C1=CC2CC\C=C/CCC12
|
|
| MolPort-046-677-788 |
0.74 |
OC(=O)C1=CC2CCCCCC12
|
|
| MolPort-044-183-126 |
0.74 |
CCCCCC(=O)CC[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
|
|
| MolPort-039-338-445 |
0.74 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1
|
|
| MolPort-035-706-317 |
0.74 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(O)=O
|
|
| MolPort-039-338-124 |
0.73 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3
|
|
| MolPort-000-733-209 |
0.73 |
CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
|
|
| MolPort-005-943-996 |
0.73 |
C[C@H]1[C@H](O)CCC2=CC(=O)C(C[C@]12C)=C(C)C
|
|
| MolPort-023-279-066 |
0.73 |
COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@]4(C)CCC(=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-035-705-838 |
0.73 |
CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@@](C)(CO)C(=O)CC[C@]23C)C1=O
|
|
| MolPort-035-705-880 |
0.73 |
CC1(C)[C@H]2C[C@@H](O)[C@@]34[C@H](O)[C@@H](CC[C@H]3[C@]2(C)C=CC1=O)C(=C)C4=O
|
|
| MolPort-046-158-402 |
0.73 |
CC(=C)[C@@H]1CC[C@@]2(C)[C@H](O)CC(=O)C(C)=C2C1
|
|
| MolPort-002-525-832 |
0.73 |
CC(=O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-039-052-452 |
0.73 |
C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C
|
|
| MolPort-035-706-224 |
0.73 |
CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
|
|
| MolPort-046-594-326 |
0.73 |
CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
|
|
| MolPort-023-220-689 |
0.73 |
C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
|
|
| MolPort-002-525-852 |
0.73 |
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)CO
|
|
| MolPort-038-948-537 |
0.73 |
CCCCC=C1CCC(CC(O)=O)CC1
|
|
| MolPort-038-948-469 |
0.73 |
CCC=CC1CCC(CC1)C(O)=O
|
|
| MolPort-003-958-950 |
0.73 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-023-274-272 |
0.73 |
CCC(\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C
|
|
| MolPort-002-511-077 |
0.73 |
C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-023-276-307 |
0.73 |
CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-006-118-208 |
0.73 |
[Na+].CCCCCC\C=C/CCCCCCCC([O-])=O
|
|
| MolPort-019-994-121 |
0.73 |
CCC12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
|
|
| MolPort-023-298-999 |
0.73 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-039-052-425 |
0.73 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-023-299-008 |
0.73 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
|
|
| MolPort-003-941-496 |
0.73 |
C\C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-003-847-259 |
0.73 |
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
|
|
| MolPort-003-892-348 |
0.73 |
CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
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0.73 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-035-706-382 |
0.73 |
CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
|
|
| MolPort-035-757-683 |
0.73 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
|
|
| MolPort-003-849-979 |
0.73 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
| MolPort-000-146-137 |
0.73 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-517-271 |
0.73 |
C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2=O
|
|
| MolPort-028-962-365 |
0.73 |
CC(O)CO.CCCCCCCC\C=C/CCCCCCCC(O)=O
|
|
| MolPort-006-116-655 |
0.73 |
[Bi+3].CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O.CCCCCCCC\C=C/CCCCCCCC([O-])=O
|
|
| MolPort-002-527-029 |
0.73 |
CC1C[C@H]2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
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|
| MolPort-006-111-036 |
0.73 |
[Na+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
|
|
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0.73 |
CC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1(C)C(C)=O
|
|
| MolPort-006-111-035 |
0.73 |
[K+].CCCCCCCC\C=C/CCCCCCCC([O-])=O
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|
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0.73 |
CC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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|
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0.73 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=C1CCCCC1
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|
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CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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|
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0.73 |
CC[C@H](\C=C\[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
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CC(=O)C1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
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0.73 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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0.73 |
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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|
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0.73 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=C
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0.73 |
C[C@@H]1CC(=O)C=C2CC[C@H](C[C@@]12C)C(C)=C
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CC1CC2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
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OC(=O)CC1CCC=CCC1
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0.73 |
CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C
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0.73 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC=C2
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C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
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0.73 |
CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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|
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0.73 |
CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
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[Na+].CCCCCCCCC=CCCCCCCCC([O-])=O
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0.73 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(C)C(C)=O
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0.73 |
CC1(C)CC(O)=C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1
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CC1(C)CC(=O)C(C(CO)C2=C(O)CC(C)(C)CC2=O)C(=O)C1
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CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)C1=C(O)CCCC1=O
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0.73 |
CC(C)CC(C1=C(O)CCCC1=O)C1=C(O)CCCC1=O
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0.73 |
CCC(C1=C(O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
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0.73 |
CC(C1=C(O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
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|
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0.73 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CC[C@@]21O)C(C)=O
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|
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0.73 |
C1CC2=CC(=O)/C(/C[C@]2(C)[C@H]([C@@H]1O)C)=C(\C)/C
|
|
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0.73 |
C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
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C1(=O)CC(C)(C)CC=C1OC
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CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
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0.73 |
[C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
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|
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0.73 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C
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0.73 |
C1CC23CC=CCC2(C(O)C(=O)C3)CC=1
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|
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0.73 |
C12C(=O)C=CC(C1)CC2
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|
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C12CCC3C(C3CCC=CCCC1C2C(O)=O)C(O)=O
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|
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O=C1C=CC2(C)C3CCC4(C)CCCC4C3CCC2(C1)[H]
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|
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C1(CCCCCCCCCCCCC(=O)O)C=CCC1
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|
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0.73 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
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|
| MCULE-9637050612 |
0.73 |
O=C1CCC2C(=C1)CCC1(C)C2CC=CC1
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0.73 |
CC1(CC(CC2CC=CC2)=CC(=O)C1)C
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|
| MCULE-6738536824 |
0.73 |
O=C1C(C)=C2C(CCCC2(C)CC1)=O
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|
| MCULE-8220979425 |
0.73 |
CC1CC(CC/C=C(\C)/C)=CC(=O)C1
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|
| MCULE-8108304567 |
0.73 |
C/C(/C)=C/CCC1CC(C)(C)CC(=O)C=1
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|
| MCULE-8902385122 |
0.73 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
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|
| MCULE-2893862044 |
0.73 |
[Na+].C(CCCCCC([O-])=O)CC=CCCCCCCCC
|
|
| MCULE-6262778979 |
0.73 |
OC1(C(CC2CC=CC2)=O)CCCCC1
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|
| MCULE-6538426298 |
0.73 |
O=C1CCC2(C)C3CCC4(C)C(CCCCC(C)C)CCC4C3CCC2=C1
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|
| MCULE-9795083418 |
0.73 |
O=C1CC[C@@]2([C@]3(CC[C@@]4(/C(=C/C)/C(=O)C[C@@]4([H])[C@]3([H])CCC2=C1)C)[H])C
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|
| MCULE-4188975486 |
0.73 |
O=C(CCCCCCCC=CCCCCCCCC)[O-].[K+]
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|
| MCULE-2014220888 |
0.73 |
O=C1C=CCC2(CCC3C4CCC(C4(C)CCC3C21C)=O)[H]
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|
| MCULE-8690639813 |
0.73 |
[C@]12(C)[C@H](C)CC(C=C1CC[C@@H](C(C)=C)C2)=O
|
|
| MCULE-3125023758 |
0.73 |
C1C[C@]2(C)[C@@]3([H])CC[C@@]4([C@@H]([C@H](C)/C=C/[C@@H](CC)C(C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O)C
|
|
| MCULE-4324141268 |
0.73 |
[C@]12(C)CCC3[C@@]([H])(CC(C4=CC(=O)CC[C@]34C)C)C1CC1CCCCC21C(C)=O
|
|
| MCULE-3175746942 |
0.73 |
C12(C)C(=O)C=CC(CC1)C2(C)C
|
|
| MCULE-5238788396 |
0.73 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
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|
| MCULE-8838919541 |
0.73 |
OC1(C(CC2CC=CC2)=O)CCCC1
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|
| MCULE-7380885765 |
0.73 |
O=C1CCC2(C3CCC4(C)CCCC4C3CCC2=C1)[H]
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|
| MCULE-8417547529 |
0.73 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)=O
|
|
| MCULE-9661302470 |
0.73 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCCC(C)C
|
|
| MCULE-3893717167 |
0.73 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](CC)C2C(C)=O
|
|
| MCULE-2611969931 |
0.73 |
[C@@H]1(CCCCCCCCCCCCC(=O)O)C=CCC1
|
|
| MCULE-7132823730 |
0.73 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
|
|
| MCULE-4900297288 |
0.73 |
CC1CC(CC2CC=CC2)=CC(=O)C1
|
|
| MCULE-3386101177 |
0.73 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)/C=C/C(CC)C(C)C
|
|
| MCULE-1428417742 |
0.73 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
|
|
| MCULE-4303966960 |
0.73 |
C[C@@]12[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC1=CC(=O)CC2
|
|
| MCULE-8841120984 |
0.73 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)C)C
|
|
| MCULE-3425686308 |
0.73 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-3394759576 |
0.73 |
C1(=O)C=C2CC[C@@H](C(=C)C)C[C@@]2(C)[C@H](C)C1
|
|
| MCULE-3526435182 |
0.73 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-8519555544 |
0.73 |
C12(C)C(C)CC(C=C1CCC(C(C)=C)C2)=O
|
|
| MCULE-3585820925 |
0.73 |
C1(C(CCCC=1O)=O)C(CC(C)C)C1C(CCCC=1O)=O
|
|
| MCULE-7436540606 |
0.73 |
C1(C(=O)CC(CC=1O)(C)C)CC1C(=O)CC(CC=1O)(C)C
|
|
| MCULE-9866949055 |
0.73 |
[C@@]1([H])(C(=O)C2C(CCCC=2O)=O)[C@](C1(C)C)([H])/C=C(/Cl)\Cl
|
|
| MCULE-7331730341 |
0.73 |
C1(C(CO)C2C(=O)CC(CC2=O)(C)C)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-4114109251 |
0.73 |
C12C3C4C5C3C1C(C(=O)O)=C(C(=O)O)C5C24
|
|
| MCULE-2036056204 |
0.73 |
C1CC2(C)C=C(C(=O)O)C(O)CC2C(C)(C)C1
|
|
| MCULE-7321817046 |
0.73 |
CC1([C@@]2(CCC(C(=O)O)=CC2)C(=C)CCC1)C
|
|
| MCULE-3860629045 |
0.73 |
C12=CC(O)(C(C)C)CCC1C1(C(C(C(O)=O)(C)CCC1)CC2=O)C
|
|
| MCULE-6879064173 |
0.73 |
C12C[C@@H](CC[C@H](C)[C@]1([H])CC(=O)C=2C)C(=C)C(O)=O
|
|
| MCULE-1261827700 |
0.73 |
OC(=O)/C=C/CCCCCCCCCC(=O)O
|
|
| MCULE-5967042891 |
0.73 |
[C@]12(C)CCC3[C@@]([H])(CC([C@@]4([H])CC=CC[C@]34C)=O)C1CCC2[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C
|
|
| MCULE-5765051698 |
0.73 |
C(CCCC=CC(O)=O)CCCCC(O)=O
|
|
| MCULE-7256161983 |
0.73 |
C1(CC(C)(C)C(C(=C1)C)CC/C(/C)=C/CO)=O
|
|
| MCULE-9564533694 |
0.73 |
OC(=O)/C=C/CCCCCCCCCCCC(=O)O
|
|
| MCULE-1782460700 |
0.73 |
CC(C1(C2(C)C(C3C(CC2)C2(C)C(=CC(CC2)=O)C=C3)CC1)O)=O
|
|
| MCULE-7547377444 |
0.73 |
[C@]12(C)CC[C@@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC(Br)[C@]2(O)C(C)=O)[H]
|
|
| MCULE-8239765173 |
0.73 |
[C@]12(C)CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(C)=O
|
|
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0.73 |
C1CC2=CC([C@](O)(C[C@]2(C)[C@H]([C@@H]1O)C)C(=C)C)=O
|
|
| MCULE-3987885076 |
0.73 |
C12=CC[C@]3([C@@H](CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
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|
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0.73 |
C12=CC[C@]3(C(CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
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CC1(C)CCCC(=C)C11CCC(=CC1)C(O)=O
|
|
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C[C@H]1CC[C@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(O)=O
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|
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CC(C)C1(O)CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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CC1(C)CCCC2(C)C=C(C(O)CC12)C(O)=O
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C\C(CCC1C(C)=CC(=O)CC1(C)C)=C/CO
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|
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C[C@@]1(CCC2C(C1)=CCC1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
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OC(=O)CCCCCCCC\C=C/C(O)=O
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C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
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OC(=O)CCCCCC\C=C\C(O)=O
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|
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OC(=O)CCCCCCCC\C=C\C(O)=O
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CC(C)C1=C[C@@]23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
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| MolPort-044-754-166 |
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OC(=O)CCCCCCCCC\C=C\C(O)=O
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CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)CCC1=O
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CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC=C4[C@@H]5C[C@@](C)(CC[C@]5(CO)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
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CC1(CCCC2(C)C1CCC13CC(CO)C(C1)CC=C23)C(O)=O
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CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)C1CCC2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)C3CC[C@]12C
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| MolPort-044-754-165 |
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OC(=O)CCCCCCCCCCC\C=C\C(O)=O
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|
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C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
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|
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C[C@]12C[C@H](O)[C@H]3[C@@H](CC(O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-006-167-524 |
0.73 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-764-998 |
0.73 |
C[C@]12C[C@H](O)[C@@H]3[C@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-690-013 |
0.73 |
[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](C[C@@H](O)C3=CC(=O)CC[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
|
|
| MolPort-002-354-428 |
0.73 |
CC(=O)C1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-003-941-707 |
0.73 |
C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-019-999-009 |
0.73 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-000-208-077 |
0.73 |
CC(=O)[C@@]1(O)CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-508-612 |
0.73 |
C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-001-740-023 |
0.73 |
C[C@H]1[C@H](O)CCC2=CC(=O)[C@](O)(C[C@]12C)C(C)=C
|
|
| MolPort-002-507-453 |
0.73 |
CC(=O)[C@@]1(O)C(Br)CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C
|
|
| MolPort-002-510-852 |
0.73 |
CC(=O)[C@@]1(O)C(Br)CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-766-230 |
0.73 |
C[C@]12C[C@@H](O)[C@@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@H]1CC[C@@]2(O)C(=O)CO
|
|
| MolPort-003-698-717 |
0.73 |
CC(C)\C=C/CCCCC(O)=O
|
|
| MolPort-001-794-306 |
0.73 |
CC1(C)[C@@H]2C[C@H]1C(C=O)=CC2
|
|
| MolPort-006-126-764 |
0.73 |
CC1C(C)(C)C2=C(C(=O)CCC2)C1(C)C
|
|
| MolPort-013-791-457 |
0.73 |
O=C(C1CCCCC1)C1=CCCCC1
|
|
| MolPort-002-513-687 |
0.73 |
CC1=C(CC2C(CCCC2(C)C)C1)C=O
|
|
| MolPort-022-367-867 |
0.73 |
CC1(C)CC(=O)C=C(C1)C=O
|
|
| MolPort-001-790-618 |
0.73 |
CC1(C)C2CC1C(C=O)=CC2
|
|
| MolPort-001-764-454 |
0.73 |
CC(C)\C=C\CCCCC(O)=O
|
|
| MolPort-035-705-871 |
0.72 |
C[C@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)C=C4C(O)=O
|
|
| MolPort-005-945-021 |
0.72 |
CC\C=C\CC1=C(CCCCCCCC(O)=O)CCC1=O
|
|
| MolPort-001-742-388 |
0.72 |
CC1(C)CC2C1CC\C(=C/CCC2=C)C(O)=O
|
|
| MolPort-046-646-765 |
0.72 |
OC(=O)C1=CC2CCCC12
|
|
| MolPort-046-153-747 |
0.72 |
C[C@H]1C[C@@H](O)[C@H](CC2=C(C)C(=O)C[C@H]12)C(C)(C)O
|
|
| MolPort-038-386-024 |
0.72 |
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C5CCC34C)C(O)=O)C2C1C
|
|
| MolPort-035-706-537 |
0.72 |
CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C(=O)C1
|
|
| MolPort-035-706-538 |
0.72 |
CC1(C)C[C@@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-006-069-379 |
0.72 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2[C@H]1C
|
|
| MolPort-006-069-138 |
0.72 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
|
|
| MolPort-038-386-525 |
0.72 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1
|
|
| MolPort-002-527-896 |
0.72 |
C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CC[C@@]21CCO1
|
|
| MolPort-002-515-580 |
0.72 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCO1
|
|
| MolPort-002-524-727 |
0.72 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-534-834 |
0.72 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-006-112-811 |
0.72 |
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MCULE-4134342158 |
0.72 |
[C@@]12([H])[C@@H](C)C[C@@H](O)[C@@H](C(O)(C)C)CC1=C(C)C(=O)C2
|
|
| MCULE-3560182453 |
0.72 |
C1C[C@]2([C@]3([H])CC[C@H]4C(C(=O)O)=C[C@@]3(C4)CC[C@]2([H])[C@@](C)(CO)C1)C
|
|
| MCULE-2519630522 |
0.72 |
C12C(CCC=C(C(O)=O)CCC1C(C)(C)C2)=C
|
|
| MCULE-2422100047 |
0.72 |
C1(C/C=C/CC)=C(CCC1=O)CCCCCCCC(=O)O
|
|
| MCULE-4929710192 |
0.72 |
C[C@@]1(CCC[C@@]2(C)[C@@]3([H])[C@]4(C[C@](CC3)([H])C(C(=O)O)=C4)CC[C@]12[H])CO
|
|
| MCULE-8629297693 |
0.72 |
C1C[C@@]2(C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@]4([C@]3(C)CC[C@@]2([H])[C@](C)([C@@H]1O)C(O)=O)C)C
|
|
| MCULE-8056155072 |
0.72 |
C1CC2(C)C3CC=C4C5C(C)C(C)CCC5(C)CCC4(C)C3(C)CCC2C(C(=O)O)(C)C1O
|
|
| MCULE-5702475533 |
0.72 |
C12(CCC(C1(C)C)(C([H])=C([H])C13CCC(C1(C)C)(C(O)=O)C3)C2)C(O)=O
|
|
| MCULE-1283574747 |
0.72 |
C[C@@]12CC[C@@]3([H])[C@@]([C@H](O)CC[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C)CC[C@@]21C)(C)C(=O)O
|
|
| MCULE-5384515579 |
0.72 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(C(=O)O)[C@@H]1O
|
|
| MCULE-7865324905 |
0.72 |
C12CC3C(CC(O)C(O)C3)CC1(C)C=CC1=C(C)C(=O)CCC21
|
|
| MCULE-6190050690 |
0.72 |
C1(C=O)C(O)(C=O)C[C@@]2([C@@](CCCC2)(C)C=1)[H]
|
|
| MCULE-5791637196 |
0.72 |
C1CCC23CC12C(O)C=CC3=O
|
|
| MCULE-4937005028 |
0.72 |
[C@]12(C)CCC3C(CCC4=CC(=O)CCC43)C1CC[C@]12CCO1
|
|
| MCULE-6072665694 |
0.72 |
C12=CC(=O)[C@]3([C@](C)(CC[C@@H](O)C3)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
|
|
| MCULE-9444397237 |
0.72 |
C1CCC(=O)C=CCCC1
|
|
| MCULE-7375388626 |
0.72 |
C1(CCCCC=1)C(CCC)=O
|
|
| MCULE-3035020921 |
0.72 |
C1CCCCC=C(C=O)C1
|
|
| MCULE-3433190262 |
0.72 |
C1(CCCCCCCCCCC=1)C(C)=O
|
|
| MCULE-5034253909 |
0.72 |
C(C(C)C)(=O)C1CCCCC=1
|
|
| MCULE-9958324589 |
0.72 |
C1CCCC=C1C(=O)C
|
|
| MCULE-9285433930 |
0.72 |
C1(CCCCC=1)C(CC)=O
|
|
| MCULE-6849313207 |
0.72 |
CC1CCCC(=O)C=1
|
|
| MCULE-2644888783 |
0.72 |
C(=O)(CC(C)C)C1CCCCC=1
|
|
| MCULE-2705141143 |
0.72 |
[C@@]12(C)[C@@H](C)CCCC1=CC[C@H](C2)C(=C)C(O)=O
|
|
| MCULE-4243027733 |
0.72 |
C(O)(C1C(C)(C)C(C=CC(O)=O)(C)CC1)=O
|
|
| MCULE-8450446154 |
0.72 |
C1(Br)=C(O)C2C(C)(C)C(C)(CC2)C1=O
|
|
| MCULE-5525294936 |
0.72 |
C12(C)C(=O)C=C(OC)C(CC1)C2(C)C
|
|
| MCULE-3821406584 |
0.72 |
C12C(CCC(=O)C=1)CCC(O)=C2
|
|
| MCULE-6569061785 |
0.72 |
C1C2C(C1CC=C2C=O)(C)C
|
|
| MCULE-1068654284 |
0.72 |
CC(C(C1CCCCC=1)=O)C1CCC1
|
|
| MCULE-3459478440 |
0.72 |
CC(C(CC1CC=CC1)=O)(O)C
|
|
| MCULE-5924936253 |
0.72 |
CC1CC(C(C2CCCCC=2)=O)C1
|
|
| MCULE-7700432494 |
0.72 |
O=C(C1CCCCC=1)C1C2(CC2)C1
|
|
| MCULE-1903986936 |
0.72 |
CC(C1C(C(C2CCCCC=2)=O)C1)(C)C
|
|
| MCULE-9894286158 |
0.72 |
O=C(C1CCCCC=1)C1CC2(CCC2)C1
|
|
| MCULE-9977163649 |
0.72 |
O=C1CC(C)(C)CC(C=O)=C1
|
|
| MCULE-9153738942 |
0.72 |
C(CCCCC=CC(C)C)(O)=O
|
|
| MCULE-2750952157 |
0.72 |
O=C(C1CCCCC=1)C1C(C2CC2)C1
|
|
| MCULE-1578387226 |
0.72 |
O=C(C1CCCC=1)CC1CC=CC1
|
|
| MCULE-4612727757 |
0.72 |
C1[C@@H]2C([C@H]1CC=C2C=O)(C)C
|
|
| MCULE-7999733772 |
0.72 |
C1CCCCCC2C(C)(C)CC(=O)C2=CCCC1
|
|
| MCULE-2358765585 |
0.72 |
O=C1CCCC2C(C(C(C)(C)C1=2)C)(C)C
|
|
| MolPort-001-781-465 |
0.72 |
CC(=O)C1=CCCCC1
|
|
| MolPort-016-579-165 |
0.72 |
O=C\C1=C\CCCCCC1
|
|
| MolPort-002-537-209 |
0.72 |
CC(=O)C1=C/CCCCCCCCCC\1
|
|
| MolPort-046-774-142 |
0.72 |
CCC1CC=CC(=O)C1
|
|
| MolPort-001-793-302 |
0.72 |
CC1=CC(=O)CCC1
|
|
| MolPort-046-025-087 |
0.72 |
CCC1=CCCCC1=O
|
|
| MolPort-044-754-142 |
0.72 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3
|
|
| MolPort-042-675-234 |
0.72 |
C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3CC[C@@]12C
|
|
| MolPort-039-052-451 |
0.72 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-001-742-389 |
0.72 |
C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(O)=O
|
|
| MolPort-044-195-438 |
0.72 |
COC1=CC(=O)C2CCC1(C)C2(C)C
|
|
| MolPort-042-609-423 |
0.72 |
OC1=CC2=CC(=O)CCC2CC1
|
|
| MolPort-044-649-600 |
0.72 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C\C(=C\O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-003-660-018 |
0.72 |
COC1=CC(=O)C2(C)CCC1C2(C)C
|
|
| MolPort-002-746-923 |
0.71 |
CC(=O)C1CC=C(C)C(=O)C1
|
|
| MolPort-023-298-997 |
0.71 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-046-594-365 |
0.71 |
CC(=C)C1CCC2(C)CCC(=O)C(C)=C2C1
|
|
| MolPort-046-600-627 |
0.71 |
CC(=O)CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C
|
|
| MolPort-035-679-062 |
0.71 |
C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-046-691-486 |
0.71 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-338-118 |
0.71 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-035-706-207 |
0.71 |
CC(C)[C@H]1[C@H]2C=C(C)C(=O)C[C@H]2[C@H](C)CC1=O
|
|
| MolPort-044-723-195 |
0.71 |
C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]12C
|
|
| MolPort-002-506-958 |
0.71 |
CC(=O)C1C(=O)C=C(C)CC1(C)C
|
|
| MolPort-020-005-765 |
0.71 |
CC(=C)[C@@H]1CC[C@@]2(C)CCC(=O)C(C)=C2C1
|
|
| MolPort-035-706-434 |
0.71 |
C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)[C@H]3CC[C@@]12C
|
|
| MolPort-006-394-736 |
0.71 |
CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-044-754-112 |
0.71 |
C[C@@H](O)CC[C@@H]1[C@H]2CC(=C(C)C)C(=O)C[C@@]12C
|
|
| MolPort-046-763-170 |
0.71 |
CCCCCC(=O)\C=C\[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-046-765-475 |
0.71 |
C[C@]12C[C@H](O)[C@H]3C([C@@H]1CC[C@]2(O)C(=O)CO)[C@H](O)CC1=CC(=O)CC[C@]31C
|
|
| MolPort-006-120-169 |
0.71 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-046-701-687 |
0.71 |
CC(=O)C(O)C1(C)CCC2C3CCC4=CC(=O)CCC4=C3CCC12C
|
|
| MolPort-046-761-554 |
0.71 |
COC1=C(C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]23)C1)C=O
|
|
| MolPort-044-567-536 |
0.71 |
C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-046-766-229 |
0.71 |
C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@]1(O)C(=O)CO
|
|
| MolPort-000-831-717 |
0.71 |
C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-002-521-548 |
0.71 |
C[C@@H]1C[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-006-069-150 |
0.71 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-038-386-585 |
0.71 |
OC(CCCCCCCC(O)=O)\C=C\C(O)=O
|
|
| MolPort-005-944-959 |
0.71 |
CC1(C)C(=O)CCC2C1=CCC1CC(C)(C=C)C(O)CC21C
|
|
| MolPort-000-726-918 |
0.71 |
C[C@@H]1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-035-706-339 |
0.71 |
C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(=C)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
|
|
| MolPort-004-956-486 |
0.71 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MolPort-044-649-711 |
0.71 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-002-506-984 |
0.71 |
C[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O
|
|
| MolPort-021-804-810 |
0.71 |
CC1(CC=C2C(CCC3C(C)(CCCC23C)C(O)=O)C1)C=C
|
|
| MolPort-001-740-574 |
0.71 |
CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C/C(O)=O
|
|
| MolPort-006-668-526 |
0.71 |
CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C\C(O)=O
|
|
| MolPort-003-848-014 |
0.71 |
[2H]C([2H])([2H])C(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-510-419 |
0.71 |
C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(C)=O
|
|
| MCULE-1505073195 |
0.71 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([C@]([H])([C@H](CC/C=C(\C(O)=O)/C)C)CC[C@]3(C)C2=CC[C@@]1([H])C(C)=C)C
|
|
| MCULE-8099197121 |
0.71 |
C1(=O)C[C@@]2([H])[C@H](C)CC(=O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MCULE-1235419293 |
0.71 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)=O)C(C)=O
|
|
| MCULE-7051793102 |
0.71 |
C1C[C@]2(C)CC[C@@H](C(C)=C)CC2=C(C)C1=O
|
|
| MCULE-2344630269 |
0.71 |
C1(CCC(C)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
|
|
| MCULE-5384019764 |
0.71 |
C12CC(CCC1(C)CCC(=O)C=2C)C(C)=C
|
|
| MCULE-1183560917 |
0.71 |
C1(=O)C[C@@]2([C@]([H])(C/C/1=C(\C)/C)[C@@]2([H])CC[C@H](O)C)C
|
|
| MCULE-7083384019 |
0.71 |
CC1=C2C[C@H](C(=C)C)CC[C@@]2(C)CCC1=O
|
|
| MCULE-8706542409 |
0.71 |
C12(C)C3C(C4C(C)(CC3)CCC=4)CCC1=CC(=O)CC2
|
|
| MCULE-7241385729 |
0.71 |
C1(=O)C=C(C)CC(C)(C)C1C(C)=O
|
|
| MCULE-1638755617 |
0.71 |
O=C(C)C1C(C=C(C)CC1)=O
|
|
| MCULE-6135208734 |
0.71 |
CC1([C@@H]2C(C=C3[C@@](C)([C@H]12)[C@H](C)CCC3)=O)C
|
|
| MCULE-4002345426 |
0.71 |
C1(CCCC(=CCC2C(C)(CCC2C(=C)C)CC1)C)C(=O)O
|
|
| MCULE-7535047148 |
0.71 |
CC12CCC(=O)C=C1C(=O)CC1C2CCC2(C)C1CCC2=O
|
|
| MCULE-2123440957 |
0.71 |
CC1C2(C)C(=CC(C3C(C)(C)C32)=O)CCC1
|
|
| MCULE-8192482534 |
0.71 |
O=C1C=CC2(C)C(C1)CC=CC2
|
|
| MCULE-9740579162 |
0.71 |
C1(C(C)=O)CC(=O)C(C)=CC1
|
|
| MCULE-2170508823 |
0.71 |
C12C3C4C5C1C(C1C5C(C4CC3CC(O)=O)CC1CC(O)=O)C=C2
|
|
| MCULE-2318177037 |
0.71 |
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(=O)C2=CC1=O
|
|
| MCULE-8029947038 |
0.71 |
C1(C(CCC)=O)C(=O)CC(CC=1OC)(C)C
|
|
| MCULE-7065925222 |
0.71 |
C[C@]12CC=C3[C@](CCC4[C@]3(C)C=CC(=O)C=4)([H])[C@]1([H])C[C@@H](C)[C@]2(O)C(=O)CO
|
|
| MCULE-5685325143 |
0.71 |
C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CCC2C(CO)=O)[H]
|
|
| MCULE-9071849084 |
0.71 |
C12(C)CCC3(C([H])(CC=C4CC(O)CCC34C)C1([H])CC(C)C2(O)C(C)=O)[H]
|
|
| MCULE-6301076627 |
0.71 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(C)=O)[H]
|
|
| MCULE-7899364914 |
0.71 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
|
|
| MCULE-3188056951 |
0.71 |
C1(=O)CC2C(C)(CCC(C2(C)CC/C(/C)=C\C(=O)O)C)C(C)=C1
|
|
| MCULE-2363731744 |
0.71 |
C1(C)(C(CCC2(C)C1CC(=O)C=C2C)C)CC/C(/C)=C/C(O)=O
|
|
| MCULE-8155210029 |
0.71 |
C[C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)CC4=CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)CO
|
|
| MCULE-5531656338 |
0.71 |
CC1C(=O)C(C)(C)CC(=O)C=1
|
|
| MCULE-9382333306 |
0.71 |
C1(C)(C)CC(=O)C2=C(C)CCC12
|
|
| MCULE-3650003593 |
0.71 |
O=C1C=C(CC2CC=CCC2)CCCC1
|
|
| MCULE-9790788139 |
0.71 |
O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCCC=C21
|
|
| MCULE-8255659287 |
0.71 |
C1(=O)CCC(CC=C)(C)C=C1
|
|
| MCULE-4479203479 |
0.71 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-5643440248 |
0.71 |
[C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@H](C)CO)C)C)O
|
|
| MCULE-1599764188 |
0.71 |
[C@]12(O)C[C@H](C)[C@H](O)[C@]1([H])[C@H](O)C(=C)CC[C@@H]1C(C)(C)[C@@H]1C=C(C)C2=O
|
|
| MCULE-6132152847 |
0.71 |
[C@H]1(O)C[C@]2(C)C3CC[C@]4(C)C([C@@](O)([C@H](O)C[C@H](C)C(C)C)C)CC[C@@]4(O)C3=CC(=O)C2C[C@H]1O
|
|
| MCULE-1655274985 |
0.71 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CCC21O)C(C)(O)C(O)CCC(C)(C)O
|
|
| MCULE-5396685230 |
0.71 |
C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(C)C(O)CCC(O)(C)C)=O
|
|
| MCULE-1963273832 |
0.71 |
[C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)C[C@@H](C)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
|
|
| MCULE-4964860916 |
0.71 |
C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(O)(C)C(O)CCC(C)C)=O
|
|
| MCULE-3121556913 |
0.71 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)CO)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-3979294448 |
0.71 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-9418551163 |
0.71 |
C12(C)C(O)(CCC1C1C(CC2O)C2(C)CCC(C=C2CC1)=O)C#N
|
|
| MCULE-4797309594 |
0.71 |
[C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@@H](C)CO)C)C)O
|
|
| MCULE-9660893096 |
0.71 |
C12=CC(=O)[C@]3([C@](C)(C[C@@H]([C@H](O)C3)O)[C@@]1([H])CC[C@]1(C)[C@@](CC[C@@]21O)([H])[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
|
|
| MCULE-1821855723 |
0.71 |
C1(CC2(C3CCC4(C(CCC4C(C(O)CC(C)C(O)(C)CO)(C)O)(C3=CC(C2CC1O)=O)O)C)C)O
|
|
| MCULE-6834807417 |
0.71 |
C1C2(CCOC(C)(C)C2)CCC(=O)C=1
|
|
| MCULE-3124657861 |
0.71 |
C1[C@]2(CCOC(C)(C)C2)CCC(=O)C=1
|
|
| MCULE-6291067113 |
0.71 |
[C@]12(O)C[C@@H]([C@H](O)[C@]1([H])[C@@H](O)C(=C)CC[C@@]1(C(C)(C)[C@]1([H])C=C(C)C2=O)[H])C
|
|
| MCULE-4546155810 |
0.71 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](O)[C@]2(O)C#N
|
|
| MCULE-8466128773 |
0.71 |
[C@H]1(O)C[C@]2(C)C3CC[C@]4(C)[C@@H]([C@@H]([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-1128702855 |
0.71 |
C1C[C@]2(C)[C@@]3([H])CC(=O)[C@]4(C)[C@@]([H])([C@@H](C)O)CC[C@@]4([H])[C@]3([H])C=CC2=CC1=O
|
|
| MCULE-6709791224 |
0.71 |
C1CC2(C)C3C(=O)CC4(C)C(C(CCC(=O)O)=C)CC(O)C4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-4167735225 |
0.71 |
C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21O)[C@H](C)[C@H](O)CCC(O)(C)C)=O
|
|
| MolPort-003-933-080 |
0.71 |
CCCCCC\C=C/CCCC(O)=O
|
|
| MolPort-044-650-172 |
0.71 |
CCCCCCCCCCCCCC\C=C\CCCC(O)=O
|
|
| MolPort-002-506-988 |
0.71 |
CC1=CC(=O)CC(C)(C)C1=O
|
|
| MolPort-009-019-328 |
0.71 |
CCCCC\C=C/CCCCCCC\C=C/CCCC(O)=O
|
|
| MolPort-035-706-518 |
0.71 |
C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C
|
|
| MolPort-002-911-165 |
0.71 |
C[C@]1(O)CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-693-458 |
0.71 |
CC(C)CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-917-870 |
0.71 |
CC1(C)CC2(CCO1)CCC(=O)C=C2
|
|
| MolPort-046-594-244 |
0.71 |
CC1CC2(O)C(C1O)C(O)C(=C)CCC1C(C=C(C)C2=O)C1(C)C
|
|
| MolPort-046-153-146 |
0.71 |
CC12CC(=O)C3=C(CCC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
|
|
| MolPort-027-853-691 |
0.71 |
CC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-418-653 |
0.71 |
C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](C=C(C)C2=O)C1(C)C
|
|
| MolPort-046-054-510 |
0.71 |
CC(C)(O)CC[C@@H](O)C(C)(O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
|
|
| MolPort-046-067-613 |
0.71 |
CC1(C)C[C@@]2(CCO1)CCC(=O)C=C2
|
|
| MolPort-046-067-789 |
0.71 |
CC(C)(O)CC[C@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)C4C[C@H](O)C(O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-068-912 |
0.71 |
CC(C)(O)CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-003-933-119 |
0.71 |
C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-020-005-977 |
0.71 |
C[C@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-005-933-631 |
0.71 |
C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-000-728-523 |
0.71 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)CC4(C)[C@H]3CCC12C
|
|
| MolPort-044-561-113 |
0.71 |
C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O
|
|
| MolPort-020-005-740 |
0.71 |
C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](\C=C(C)\C2=O)C1(C)C
|
|
| MolPort-008-322-993 |
0.71 |
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
|
|
| MolPort-046-702-139 |
0.71 |
C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)CC[C@H]1[C@@H](\C=C(C)/C2=O)C1(C)C
|
|
| MolPort-001-741-219 |
0.71 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-006-822-587 |
0.71 |
CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-508-947 |
0.71 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-021-804-511 |
0.71 |
CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(O)CO
|
|
| MolPort-039-052-319 |
0.71 |
C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@H](O)C(=C)CC[C@H]1[C@@H](\C=C(C)/C2=O)C1(C)C
|
|
| MolPort-001-741-221 |
0.71 |
C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)C(C)(C)O
|
|
| MolPort-002-511-922 |
0.71 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](O)[C@]2(O)C#N
|
|
| MolPort-020-005-976 |
0.71 |
C[C@@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-052-673 |
0.71 |
C[C@@H](O)\C=C\[C@H]1C(CO)=CC(=O)CC1(C)C
|
|
| MolPort-039-338-665 |
0.71 |
CC(CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-507-287 |
0.71 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-006-668-475 |
0.70 |
CC1(CCC2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
|
|
| MolPort-003-873-328 |
0.70 |
C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
|
|
| MolPort-008-427-020 |
0.70 |
CC1(CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1)C=C
|
|
| MolPort-001-742-404 |
0.70 |
C[C@@]1(CCC2C(CCC3C2(C)CCC[C@@]3(C)C(O)=O)=C1)C=C
|
|
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C[C@]1(CC[C@H]2C(CC[C@@H]3[C@]2(C)CCC[C@]3(C)C(O)=O)=C1)C=C
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CC(C)C1=C(O)C(=O)C2=C(CC[C@H]3C(C)(C)CCC[C@]23C)C1=O
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CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CCC1C2(C)CCC2C(C)(C)C(=O)C=CC12C
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CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
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C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@@](C(=O)O)(C)C1
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C1CCC2(C)C3CCC(C=C)(C)C=C3CCC2C1(C(=O)O)C
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C1C[C@]2(C)[C@@]3([H])CC[C@](C=C)(C)C=C3CC[C@@]2([H])[C@](C(=O)O)(C)C1
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C1=CC2(C)C3CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1=O
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C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
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CC(C1(C(C2CCCCC=2)=O)CC1)C
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C/C(/C)=C/C(CC1C2C=CC(CC2)C1)=O
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CC1CC(C(C2CCCCCCC=2)=O)C1
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C1(=O)C=CC2(C)C3([H])C(O)CC4(C)C(C(CO)=O)([H])CCC4([H])C3([H])CCC2=C1
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C(O)(C1=CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
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C(C)(C)(C)C1CC(=C2CCC(CC2)C(C)(C)C)C(CC1)=O
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O=C1CCC2(C)C3CC(C4(C)C(CC(C4C3CCC2=C1)=O)C(C)=O)=O
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O=C1C(=CO)CC2(C)C(C1)(CC=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC21)[H]
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O=C1C(=CO)CC2(C)C(C1)(CC=C1C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC21)[H]
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OC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
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C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC1CC(C)=C(C)CC21C(C)=O
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C1(=O)CC23CC2(CCC3)C=C1
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[C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)O
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OC(C1(CC=CCC1)CC1CC=CC1)=O
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C1CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C(O)=O)(C)C1)C
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C12C3CC(C=C3)C1C2C(O)=O
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C1(C(=O)O)CC2C=CC1CC2
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OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
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C1(=O)C=C2C(C)(CC/C(/C)=C\C(=O)O)C(C)CCC2C(C)(C)C1
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C(CO)(C1(O)CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
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OC(=O)C1C2CC\C=C\CC\C=C/CCC12
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CC(=C)[C@H]1CC(C)=C(C)C(=O)C1
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CC(=O)C12CC(C)=C(C)CC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
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OC(=O)C1C2CC\C=C/CC\C=C/CCC12
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OC(=O)CCCCCCC\C=C/CC=O
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CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=C(CC[C@@]21C)[C@@](C)(CC(O)=O)[C@@H](CC3)C(C)(C)C=O
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C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C/C(O)=O
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OC(=O)C1CC2CCC1C=C2
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CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C[C@@H](O)[C@]3(C)CC[C@@]12C)C(O)=O
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COC1=CCCCC1=O
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CC(C)[C@H]1CC[C@]2(C)C([C@H]1C(C=O)=C2C)C(O)=O
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CC\C=C/CC(O)\C=C\C(=O)CCCCCCCCC(O)=O
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CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
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CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
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O=CC1=CCCCC1
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CCCCC\C=C(\CCCC)C=O
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COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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CC[C@@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
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CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO
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COC(=O)[C@]1(C)CCC[C@@]2(C)C1CC[C@]13C=C(C(C)C)C(CC21)C1C3C(=O)C=CC1=O
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(CO)C[C@]34C)[C@@H]1CC[C@@]2(O)C#C
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C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34C(O)=O)[C@H]1CCC2=O
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C[C@]12CC[C@H]3C(=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]34C)[C@]1(O)CCC2=O
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CC1CCC=CC1=O
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C[C@]1(O)CCC2C3CCC4=C(Cl)C(=O)CC[C@]4(C)C3CC[C@]12C
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CC1CC=CC(=O)C1
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C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
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CC1CCC(=O)C=C1
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C[C@]12CC(=O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
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CC1(C)CCC=CC1=O
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CCOC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CCC12CC(=C)C3C(CCC4=CC(=O)CCC34)C1CCC2(O)C#C
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CC[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@H]34)[C@@H]1CCC2(O)C#C
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CC1(C)CCC(=O)C=C1
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CC1=CCCCC1=O
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C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
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[2H]C#C[C@]1(O)CC[C@H]2[C@@H]3CC([2H])([2H])C4=C([2H])C(=O)C([2H])([2H])C[C@]4([2H])[C@H]3C(=C)C[C@]12CC
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C[C@H]1C[C@@]2(O)[C@H]([C@H]1O)[C@@H](O)C(=C)[C@H](O)C[C@H]1[C@@H](\C=C(C)/C2=O)C1(C)C
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CC[C@]12CC(=C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
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CC(C)(O)CC(O)CC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
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CC(C)[C@](C)(O)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
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C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
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CC1(C)CC=CC(=O)C1
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CC1CC2(O)C(C1O)C(O)C(=C)C(O)CC1C(C=C(C)C2=O)C1(C)C
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C[C@@H]1CCC=C2C(=O)C=C[C@@H](C(C)(C)O)[C@@]12C
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C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=C)[C@H]1CCC(C=O)=CC1
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CC1=C(O)C(=O)CC1
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C1CC(C2C(O)CC(C)=CC(=O)C21C)(O)C(C)C
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CC1C(=O)C(C)=C(CC[C@](O)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C(=O)C=1C
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[C@H]12C(C=O)=C(C)[C@](C)(CC[C@@H]1C(C)C)C2C(O)=O
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C1(C)C(=O)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C=1C
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COC1C(=O)CCCC=1
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C1(=O)CCC(C)(C)C=C1
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[C@]12(C)CCC(C(Cl)=C1CCC1C2CC[C@]2(C1CCC2O)C)=O
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| MCULE-8386752633 |
0.69 |
O=C1CCC2(C)C3C(C4CCC(C4(C)C(C=3)=O)C(OC)=O)CCC2([H])C1
|
|
| MCULE-7933835085 |
0.69 |
[C@@]12(C)[C@](O)(CCC1C1C(C(O)C2)[C@@]2(C)CCC(C=C2CC1)=O)C#N
|
|
| MCULE-9092365556 |
0.69 |
C(=O)C(CCCC)=CCCCCC
|
|
| MCULE-1844358842 |
0.69 |
[C@H]1(O)C[C@@]2(C3CC[C@]4([C@](CCC4[C@](O)(C)[C@H](O)C[C@](O)(C)C(C)C)(O)C3=CC(C2C[C@H]1O)=O)C)C
|
|
| MCULE-1811364024 |
0.69 |
C1(C)(C)C(=O)C=CCC1
|
|
| MCULE-7110535304 |
0.69 |
C(O)(C)(CC(O)CC(O)(C)C)C1C2(C(C3C(C4(C(CC(C(C4)O)O)C(=O)C=3)C)CC2)(O)CC1)C
|
|
| MCULE-9033140847 |
0.69 |
[C@@]12(C)[C@](O)(CCC1C1C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)C#N
|
|
| MCULE-9420495436 |
0.69 |
O=C1[C@@]2([C@]([C@H](C(=C)[C@H](O)C[C@]3([H])C(C)(C)[C@]3([H])C=C1C)O)([H])[C@@H](O)[C@@H](C)C2)O
|
|
| MCULE-7079731514 |
0.69 |
O=C1[C@@]2([C@]([C@H](C(=C)[C@H](O)C[C@]3([H])C(C)(C)[C@]3([H])C=C1C)O)([H])[C@@H](O)[C@@H](C)C2)O
|
|
| MCULE-9454333017 |
0.69 |
[C@]12(C)CCC(C(Cl)=C1CCC1C2CC[C@]2(C1CC[C@]2(C)O)C)=O
|
|
| MCULE-8464956672 |
0.69 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2C(C)CCC(OCC)=O
|
|
| MCULE-8305742317 |
0.69 |
CCC12C(C#C)(O)CCC1C1CCC3C(C1C(=C)C2)CCC(=O)C=3
|
|
| MCULE-4386964450 |
0.69 |
[C@@H]1(C)[C@H](O)[C@]2([H])[C@@H](O)C(=C)[C@H](O)C[C@@H]3C(C)(C)[C@@H]3C=C(C)C(=O)[C@@]2(O)C1
|
|
| MCULE-6245248136 |
0.69 |
C1(C)=CCCCC1=O
|
|
| MCULE-3774162320 |
0.69 |
C1(=O)CC(C)(C)CC=C1
|
|
| MCULE-7619150531 |
0.69 |
CCCCC/C=C(\C=O)/CCCC
|
|
| MCULE-1018439007 |
0.69 |
C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4Cl)([H])[C@]1([H])CC[C@@H]2O
|
|
| MCULE-9513148820 |
0.69 |
O=C1C=C(CCC2OCCCC2)CCC1
|
|
| MCULE-4046520863 |
0.69 |
[C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)CC(O)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
|
|
| MCULE-4339982355 |
0.69 |
CC[C@@]12[C@](O)(C#C)CC[C@H]1[C@@H]1CCC3[C@@H]([C@H]1C(=C)C2)CCC(=O)C=3
|
|
| MCULE-1900386533 |
0.69 |
C1[C@]2([H])[C@@]3([H])C(=C)C[C@@]4(CC)[C@@]([H])(CC[C@]4(C#C)O)[C@]3([H])CCC2=CC(=O)C1
|
|
| MCULE-1244483126 |
0.69 |
[C@]12(O)C[C@H](C)[C@H](O)[C@]1([H])[C@H](O)C(=C)[C@H](O)C[C@@H]1C(C)(C)[C@@H]1C=C(C)C2=O
|
|
| MCULE-9000594402 |
0.69 |
C[C@@H]1[C@H](O)[C@]2([H])[C@@H](O)C(=C)[C@H](O)C[C@@H]3C(C)(C)[C@@H]3C=C(C)C(=O)[C@@]2(O)C1
|
|
| MCULE-6144873686 |
0.69 |
C12=CC(=O)[C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21O)=O
|
|
| MCULE-1776810440 |
0.69 |
C=C(C)[C@H]1CCC(C=O)=CC1
|
|
| MCULE-5119094209 |
0.69 |
O=C(C12CCCC1C2)C1CCCCC=1
|
|
| MCULE-2160116138 |
0.69 |
O=C(C1CCCCC=1)[C@@H]1C[C@@H]2C[C@@H]2C1
|
|
| MCULE-9852233406 |
0.69 |
OC(C(CC1CC=CC1)=O)=O
|
|
| MCULE-6340945460 |
0.69 |
O=C(C12CCCCC1C2)C1CCCCC=1
|
|
| MCULE-1731235356 |
0.69 |
O=C(C1CCCCC=1)C1C2C(C2)CCC1
|
|
| MCULE-6767000432 |
0.69 |
C1CCC(C(O)=O)CCC=1
|
|
| MCULE-2280015640 |
0.69 |
C(C)(=C)[C@@]1([H])CCC(=CC1)C=O
|
|
| MCULE-4876387221 |
0.69 |
O=C(C1CCCCC=1)CC1CC2C(C2)C1
|
|
| MCULE-6739386631 |
0.69 |
O=C(C1CCCCC=1)C1CC2C(C2)CC1
|
|
| MCULE-2913420738 |
0.69 |
C(C)(=C)C1([H])CCC(=CC1)C=O
|
|
| MCULE-7510220469 |
0.69 |
C1CC2[C@@](CC[C@H]([C@]2(C)CCC(C)CC(=O)O)C)(C(=C1)CO)C
|
|
| MCULE-7708235386 |
0.69 |
OC(C1(CC=CC1)CC1CC=CCC1)=O
|
|
| MCULE-9474095410 |
0.69 |
[C@@H]1(O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CC[C@H]([C@@H]1C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
|
|
| MCULE-9526433855 |
0.69 |
[C@]12(C)CCC3[C@@]([H])(CC=C4CC(O)CC[C@]34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-6888052424 |
0.69 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-5111117747 |
0.69 |
C[C@H]1[C@H](C)[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
|
|
| MCULE-1547137893 |
0.69 |
C12CCC(C(C)CCCC(=O)C)C1(C)CCC1C3(C)CCC(O)CC3=CCC21
|
|
| MCULE-3629918410 |
0.69 |
O=C(CCC(C)C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)CC
|
|
| MCULE-6217200752 |
0.69 |
O=C(O)[C@]12[C@@](C3=CC[C@@]4([C@]5(CCC(=O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC1)C)[H])([H])[C@@H](C)[C@H](C)CC2
|
|
| MCULE-5064546197 |
0.69 |
[C@H]1(C)[C@H](C)[C@@]2([H])C3=CC[C@@]4([C@@]5(C)CCC(C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1)=O)[H]
|
|
| MCULE-4006235073 |
0.69 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)=O
|
|
| MCULE-4269813571 |
0.69 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
|
|
| MCULE-7088367969 |
0.69 |
[C@@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)CC[C@H](O)C2(C)C)[H])C(O)=O
|
|
| MCULE-9625022025 |
0.69 |
CC1CCC(C(=O)O)(C)CC=1
|
|
| MCULE-1939531919 |
0.69 |
CC1CC(C(O)=O)(C2C=CCCC2)C1
|
|
| MCULE-2538866374 |
0.69 |
C(C1C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C)(=O)C
|
|
| MCULE-7829183730 |
0.69 |
O=C1C(C(C)C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
|
|
| MCULE-9335086572 |
0.69 |
CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(=O)CCC5(C)C4CC=C32)CC1
|
|
| MCULE-6601751883 |
0.69 |
C1(C)CC(CCC=1C)C(O)=O
|
|
| MCULE-1308336736 |
0.69 |
C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C(C(O)CC[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)C(C)C21)C(O)=O)[H]
|
|
| MCULE-2615091969 |
0.69 |
O=C1C(C2CCCCC2)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C
|
|
| MCULE-6728895797 |
0.69 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CC1CCCCC21C(C)=O
|
|
| MCULE-7491068561 |
0.69 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1C[C@@H](C)[C@@H]2C(C)=O
|
|
| MCULE-3143886740 |
0.69 |
C12(C)CCC3(C(CC(CC3)(C)C)C1=CCC1C2(C)CCC2C1(C)CCC(O)C2(C)C)C(O)=O
|
|
| MCULE-5277306782 |
0.69 |
O[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@H]21
|
|
| MCULE-9672606479 |
0.69 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)=O
|
|
| MCULE-2451101251 |
0.69 |
C12(C)C(C(C)CC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2C=C1)O
|
|
| MCULE-6367656540 |
0.69 |
C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O)[H]
|
|
| MCULE-2847349308 |
0.69 |
[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC=O)CC3)CC=2
|
|
| MCULE-8045386580 |
0.69 |
C1(=O)C([C@@]2([H])[C@](C)(CC1)[C@]1([H])[C@@]([C@]3(C(=CC1)[C@]1([C@@](CCC(C1)(C)C)(C(O)=O)CC3)[H])C)(C)CC2)(C)C
|
|
| MCULE-3212175174 |
0.69 |
C1(C)(CCC(=C(C)C1)C)C(O)=O
|
|
| MCULE-6540475820 |
0.69 |
CC1(C(C(O)=O)=CCC1)C
|
|
| MCULE-6089018925 |
0.69 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
|
|
| MCULE-7117901308 |
0.69 |
C1CC2(C)C3C(=O)CC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-9029872817 |
0.69 |
C1(CCCCCCCO)C(=O)C[C@@H](O)C=1
|
|
| MCULE-2271099763 |
0.69 |
C12CC3C4C(C(O)=O)=C(C(=O)O)C3C1C24
|
|
| MCULE-7424984034 |
0.69 |
C1C[C@]2([H])[C@@](C)(CC/C(=C/C(OC)=O)/C)[C@H](C)CC[C@@]2(C)C(C(=O)O)=C1
|
|
| MCULE-7110389607 |
0.69 |
O=C1C=CC2(CCOCC2)CC1
|
|
| MCULE-7277661521 |
0.69 |
C1C(O)C2(C)C3C(O)CC4(C)C(C(C)=O)=CCC4C3CC=C2CC1O
|
|
| MCULE-3167433007 |
0.69 |
O=C1C=CC2(C)C3C(O)CC4(C)C(O)(CCC4C3CC(C)C2=C1)C(C)=O
|
|
| MCULE-4504889503 |
0.69 |
[C@]12(C)CC[C@H](O)C(C)(C)[C@]1([H])CC=C(C=O)[C@@H]2C#N
|
|
| MCULE-7572295123 |
0.69 |
OC1=C(CCCCCCCCCCCCC)C(=O)C(O)=CC1=O
|
|
| MCULE-1558476181 |
0.69 |
C1(O)C(=O)C(=C(O)C(C=1)=O)CCCCCCCCCCC
|
|
| MolPort-046-597-698 |
0.69 |
C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
|
|
| MolPort-000-729-105 |
0.69 |
CC1(C)CCC2(CC[C@]3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
|
|
| MolPort-046-761-810 |
0.69 |
[2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC([2H])([2H])C3=O)[C@@H]2C1
|
|
| MolPort-046-589-954 |
0.69 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-000-720-642 |
0.69 |
CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-046-596-590 |
0.69 |
CC(=O)C12CCCC[C@@H]1C[C@H]1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-023-313-258 |
0.69 |
CC1(C)CCC=C1C(O)=O
|
|
| MolPort-004-955-261 |
0.69 |
CC1(C)CC[C@@]2(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]2C1)C(O)=O
|
|
| MolPort-001-741-050 |
0.69 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O
|
|
| MolPort-022-366-438 |
0.69 |
CC1=CCC(CC1)C(O)=O
|
|
| MolPort-003-983-927 |
0.69 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-027-834-998 |
0.69 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
|
|
| MolPort-001-740-060 |
0.69 |
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
|
|
| MolPort-046-596-264 |
0.69 |
C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-022-368-244 |
0.69 |
CC1=CCC(C)(CC1)C(O)=O
|
|
| MolPort-003-939-637 |
0.69 |
C[C@@H]1CC[C@@]2(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]2[C@H]1C)C(O)=O
|
|
| MolPort-001-740-955 |
0.69 |
CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CCC=C2CO)CC(O)=O
|
|
| MolPort-020-005-912 |
0.69 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-027-835-590 |
0.69 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-046-419-080 |
0.69 |
C[C@H](CCC=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-691-997 |
0.69 |
[2H]C([2H])([2H])C(=O)[C@@]1([2H])CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-740-468 |
0.69 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@H]1C)C(O)=O
|
|
| MolPort-002-158-261 |
0.69 |
CC(=O)C12CCCCC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
|
|
| MolPort-002-507-455 |
0.69 |
C[C@@H]1CC2[C@@H]3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-002-507-433 |
0.69 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-002-522-274 |
0.69 |
CC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-524-169 |
0.69 |
C[C@@H]1CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
|
|
| MolPort-002-525-147 |
0.69 |
C[C@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@@H]1C)C(O)=O
|
|
| MolPort-003-666-312 |
0.69 |
CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-035-706-406 |
0.69 |
CC1(C)[C@H](O)CC[C@]2(C)[C@H]3CC[C@H]4[C@@](C)(CC[C@@H]5[C@]4(C)CC[C@H](O)[C@]5(C)C(O)=O)CC3=CC[C@@H]12
|
|
| MolPort-002-525-209 |
0.69 |
C[C@H](CCCC(C)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-911-249 |
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CC(CCCC(C)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C2C1C)C(O)=O
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CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
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CC(CCCC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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C[C@@H](C=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C
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C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)C1CCC2=O
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CC1(C)CC[C@@]2(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]2C1)C(O)=O
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C[C@@H]1CC[C@@]2(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]2[C@H]1C)C(O)=O
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C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
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CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
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CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1)C(O)=O
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C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@]4(O)CC=CC[C@]34C)[C@@H]1CCC2=O
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CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
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CC(=O)C1=CCC2C3CC=C4CC(O)CC(O)C4(C)C3C(O)CC12C
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CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
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O=C1CCC2(CCOCC2)C=C1
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CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
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CC1(C)CCCC2(C3CCC(C)(C=C)C=C3C(=O)CC12)C(O)=O
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CCCCCC(=O)\C=C\[C@H]1[C@H](O)CC(=O)[C@H]1C\C=C/CCCC(O)=O
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CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@@H](O)[C@H]1C\C=C/CCCC(O)=O
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COC(=O)\C=C(/C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)[C@H]1CCC=C2C(O)=O
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CCCCCC(=O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O
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OC(=O)C1=C(C2C3C4CC2C1C34)C(O)=O
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CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C#N
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COC(=O)\C=C(/C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC=C2C(O)=O
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CCCCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O
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CCCC\C=C\CCCCCCCCCCCCCC1=C(O)C(=O)C(C)=C(O)C1=O
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CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O
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COC1=C2CCCC(=O)C2(C)CCC1=O
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O=C1[C@@H](C[C@@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
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O.O=C1[C@@H](C[C@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
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CCCCC\C=C/C\C=C/CCCCCCCCCCC(O)=O
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CCCCC\C=C/C\C=C/CCCCCCCCCCCC(O)=O
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CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(O)=O
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OC(=O)CC1CCCC=C1
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CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
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CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(O)=O
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CCCCC\C=C\C\C=C\CCCCCCCCCC(O)=O
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CC(=O)\C=C\C1C(C)(O)CCC2C(C)(C)CCCC12C
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|
| MCULE-7695357226 |
0.68 |
O=C(C1CCCC=1)C1CC2(CCC2)C1
|
|
| MCULE-2807643168 |
0.68 |
C1(C)CC(=O)C=C1CCCCC
|
|
| MCULE-2011218266 |
0.68 |
CC(C(C1CCCCCC=1)=O)C1CCC1
|
|
| MCULE-6481056517 |
0.68 |
CC(C(C1CCCC=1)=O)C1CCC1
|
|
| MCULE-6661177248 |
0.68 |
CC1CC(C(C2CCCCCC=2)=O)C1
|
|
| MCULE-4387476121 |
0.68 |
C1C2CC=C(C)C(=O)C1C2(C)C
|
|
| MCULE-6989137991 |
0.68 |
C1C(=O)CCC2([H])CC2([H])C=1
|
|
| MCULE-5102413219 |
0.68 |
O=C(C1CCCCCC=1)C1C2(CC2)C1
|
|
| MCULE-4785640334 |
0.68 |
CC1CC(C(C2CCCC=2)=O)C1
|
|
| MCULE-8800846446 |
0.68 |
CC(C1C(C(C2CCCC=2)=O)C1)(C)C
|
|
| MCULE-8226891771 |
0.68 |
CC(C1(C(C2CCCCCC=2)=O)CC1)C
|
|
| MCULE-6302987664 |
0.68 |
O=C(C1CCCC=1)C1C(C2CC2)C1
|
|
| MCULE-2850571893 |
0.68 |
O=C(C1CCCCCC=1)C1C(C2CC2)C1
|
|
| MCULE-4005939250 |
0.68 |
C12(C)CCC3C(CCC4CCCCC34C)C1CC(=CC(C)C)C2=O
|
|
| MCULE-8042162865 |
0.68 |
C(CCCCCCCC=CCC=CCC=CCC)(O)=O
|
|
| MCULE-4315440442 |
0.68 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@@H](/C=C/[C@@H](CC)C(=C)C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-4653646367 |
0.68 |
C(CCCCCCCC=CCC=CCCCCC)(O)=O
|
|
| MCULE-1893075589 |
0.68 |
CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
|
|
| MCULE-6594867113 |
0.68 |
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
|
|
| MCULE-9671518710 |
0.68 |
C(CCCCCCC/C=C/C/C=C/CCCCC)(O)=O
|
|
| MCULE-5225411148 |
0.68 |
C12(C)CCCC(C)(C)C1CCC(C)(O)C2C=CC(C)=O
|
|
| MCULE-4209942909 |
0.68 |
C(/C=C\C/C=C\C/C=C\CC)CCCCCCCCCCC(=O)O
|
|
| MCULE-9405390567 |
0.68 |
C(CCCCCCC(=O)O)CC/C=C/C/C=C/CCCCC
|
|
| MCULE-5461214891 |
0.68 |
[C@]12([H])C(=O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)C
|
|
| MCULE-9082869288 |
0.68 |
CCCCC/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(\[H])/C/C(/[H])=C(/[H])\CCCCCC(O)=O
|
|
| MCULE-7455827757 |
0.68 |
C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-6238783971 |
0.68 |
[C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C(C(=O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-1509278335 |
0.68 |
[C@H]1(C(=C)C(=O)O)CC=C(CCC(=O)C)[C@@H](C)CC1
|
|
| MCULE-5074709635 |
0.68 |
C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(O)(CO)C1)C3)C
|
|
| MCULE-2570487264 |
0.68 |
OC(C1C2C=CC(C2)C1)=O
|
|
| MCULE-1918074338 |
0.68 |
C(C(=O)O)C[C@]1(C)C2=CC[C@@]3(C(=O)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C
|
|
| MCULE-9341959688 |
0.68 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@]1([H])CC=CC[C@@]21C(C)=O)[H]
|
|
| MCULE-2411412323 |
0.68 |
C1C[C@@]2([C@@]([H])([C@@](C(O)=O)(C)C1)CC[C@@]13C2=CC[C@]([H])(C(=C)C1)C3)C
|
|
| MCULE-8651982947 |
0.68 |
C(C)(C1(O)C(=C)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-3023348221 |
0.68 |
C1(C)(CC2CC1C=C2)C(O)=O
|
|
| MCULE-2506870963 |
0.68 |
C12(C)CCCC(C)(C(O)=O)C1CCC1CCC(O)CC2=1
|
|
| MCULE-1857694923 |
0.68 |
[C@@]12([H])C[C@@]([H])(C=C1)C[C@@H]2C(O)=O
|
|
| MCULE-5677861178 |
0.68 |
[C@H]1(C(O)=O)[C@]2([H])C[C@]([H])(C1)C=C2
|
|
| MCULE-1005769729 |
0.68 |
C1C[C@]2(C)C(CC/C(/C)=C/C(=O)O)=C(C)C(=O)CC2C(C)(C)C1
|
|
| MCULE-9871680934 |
0.68 |
C12(C)CC=C(C(=O)O)CCC1C(O)(C(O)(C)C)C(O)C2
|
|
| MCULE-9797468470 |
0.68 |
CCC([C@]1(C)[C@@]2(C)C[C@H](O)[C@@H]3[C@]4(C)C(=CC(C=C4)=O)CC[C@H]3[C@@H]2C[C@H]1C)=O
|
|
| MCULE-5855122450 |
0.68 |
C12C/C(=C(/C)\C)/C(=O)C=C(C)C1CCC2(C)O
|
|
| MCULE-1383087393 |
0.68 |
C1=C[C@@]([H])([C@H](CC(/C=C(/C)\C)=O)C)C[C@H](O)C1=C
|
|
| MCULE-5037820521 |
0.68 |
C1C(CC2(O)C=C(C3C21C(C)CC3)C(=O)O)(C)C
|
|
| MCULE-4110286960 |
0.68 |
[C@@]12([H])CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C=C2C
|
|
| MCULE-6893473009 |
0.68 |
C1(C(C)CC(/C=C(\C)/C)=O)CC(O)C(=C)C=C1
|
|
| MolPort-035-706-289 |
0.68 |
C[C@@]12[C@H](CC[C@H]1[C@@H]1C=CC3=CC(=O)CC[C@]3(C)[C@H]1CC2=O)[C@H](O)CO
|
|
| MolPort-035-706-554 |
0.68 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
|
|
| MolPort-028-599-742 |
0.68 |
O[C@H]1CC[C@@H]2C1CCC1=C3CCC(=O)C=C3CC[C@@H]21
|
|
| MolPort-042-694-347 |
0.68 |
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
|
|
| MolPort-046-793-260 |
0.68 |
C[C@]12CC[C@H]3[C@@H](C[C@H](Cl)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
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|
| MolPort-001-739-242 |
0.68 |
CC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1(O)CO
|
|
| MolPort-023-274-413 |
0.68 |
CC1C(O)CCC2=CC(=O)C(CC12CO)C(C)=C
|
|
| MolPort-023-274-345 |
0.68 |
CCC1=C(C)C(=O)C(C)CC11C(CCC1=O)C(O)=O
|
|
| MolPort-006-701-571 |
0.68 |
C[C@]12CCC3=C4CCC(=O)C=C4CCC3C1CCC2O
|
|
| MolPort-002-510-832 |
0.68 |
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3C1CC[C@@H]2O
|
|
| MolPort-001-492-783 |
0.68 |
CC1(C)CC(=O)C(C(C(O)CO)C2=C(O)CC(C)(C)CC2=O)C(=O)C1
|
|
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CCCCC\C=C1\CCCC1=O
|
|
| MolPort-001-792-025 |
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CC(CCC=C(C)C)CC(O)=O
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|
| MolPort-003-930-561 |
0.67 |
C[C@H](CCC=C(C)C)CC(O)=O
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|
| MolPort-028-603-498 |
0.67 |
CC(C)C\C=C1\CCCCC1=O
|
|
| MolPort-008-348-849 |
0.67 |
CC(C)C\C=C1/CCCCC1=O
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|
| MolPort-002-507-612 |
0.67 |
CC(=C)[C@@H]1CC=C(C)C(=O)C1
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|
| MolPort-044-727-244 |
0.67 |
CC1(C)CCCC(=C)C11CCC(C=O)=CC1
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|
| MolPort-002-506-968 |
0.67 |
CC(=C)C1CC=C(C)C(=O)C1
|
|
| MolPort-001-769-671 |
0.67 |
CC(=C)[C@H]1CC=C(C)C(=O)C1
|
|
| MolPort-002-507-391 |
0.67 |
C\C=C\C(=O)C1=C(C)CCCC1(C)C
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|
| MolPort-019-937-217 |
0.67 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-046-693-069 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C=C[C@]34C)[C@@H]1CCC2=O
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| MolPort-019-937-078 |
0.67 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-006-394-338 |
0.67 |
C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-740-467 |
0.67 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)C2C1)C(O)=O
|
|
| MolPort-006-111-348 |
0.67 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-046-692-950 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)C=C[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-002-510-407 |
0.67 |
C[C@H](CCC(O)=O)[C@H]1CCC2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-035-706-386 |
0.67 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-042-675-461 |
0.67 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-044-183-134 |
0.67 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
|
|
| MolPort-035-785-285 |
0.67 |
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-030-042-288 |
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CC12CCC3C(CC=C4CC(O)CCC34CO)C1CCC2=O
|
|
| MolPort-046-762-885 |
0.67 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@H]2C1)C(O)=O
|
|
| MolPort-002-526-688 |
0.67 |
C[C@]12CCC3[C@@H](CCC4=C[C@H](O)CC[C@]34C)C1CCC2=O
|
|
| MolPort-002-526-836 |
0.67 |
C[C@]12CCC3[C@@H](CCC4=C3CCC(=O)C4)C1CCC2O
|
|
| MolPort-044-755-246 |
0.67 |
CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-035-706-269 |
0.67 |
C[C@@H](O)\C=C\[C@@]1(O)[C@H](C)CC(=O)CC1(C)C
|
|
| MolPort-002-176-718 |
0.67 |
CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-002-506-869 |
0.67 |
C[C@]12CCC3[C@@H](CC=C4C[C@@H](O)CC[C@]34CO)C1CCC2=O
|
|
| MolPort-002-800-539 |
0.67 |
CC12CCC3C(CCC4=CC(O)CCC34C)C1CCC2=O
|
|
| MolPort-035-706-388 |
0.67 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-035-706-389 |
0.67 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-002-506-868 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
|
|
| MolPort-035-706-450 |
0.67 |
C[C@H]1[C@H](CO)CC[C@@]2(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]12)C(O)=O
|
|
| MolPort-002-524-878 |
0.67 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC(O)[C@@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-002-911-151 |
0.67 |
C[C@]1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC12C
|
|
| MolPort-046-596-232 |
0.67 |
CC(CCC(O)=O)C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-005-944-839 |
0.67 |
C[C@@H]1CC[C@]2(C)[C@H](CCC=C2CO)[C@@]1(C)CC\C(CO)=C\C(O)=O
|
|
| MolPort-046-596-363 |
0.67 |
C[C@@H]1CC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-046-596-401 |
0.67 |
C[C@]12CCC3C(CCC4=C3CCC(=O)C4)C1CCC2O
|
|
| MolPort-005-944-829 |
0.67 |
C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CC\C(C=O)=C/C(O)=O
|
|
| MolPort-021-783-255 |
0.67 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-002-509-462 |
0.67 |
C[C@@H]([C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
|
|
| MolPort-001-785-925 |
0.67 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(O)=O
|
|
| MolPort-020-005-953 |
0.67 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-002-512-678 |
0.67 |
C[C@@H]1CC2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-039-338-353 |
0.67 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-046-764-565 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@H]34)[C@@H]1CCC2=O
|
|
| MolPort-028-599-905 |
0.67 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-046-596-323 |
0.67 |
CC(C1CCC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]12C)C(O)=O
|
|
| MolPort-000-713-158 |
0.67 |
CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-035-924-389 |
0.67 |
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)CO
|
|
| MolPort-046-761-478 |
0.67 |
[2H]C1([2H])[C@@]([2H])(O)[C@H]2[C@@H](C[C@H](C)C3=CC(=O)C=C[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
|
|
| MolPort-046-766-235 |
0.67 |
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@@H]21)C=O
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| MolPort-002-709-806 |
0.67 |
CC(=O)C(CC(O)=O)C1=C(O)CC(C)(C)CC1=O
|
|
| MolPort-039-052-523 |
0.67 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
|
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| MolPort-002-507-412 |
0.67 |
C[C@H]1CC2C3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(O)C2[C@@]2(C)C=CC(=O)C=C12
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|
| MolPort-009-018-302 |
0.67 |
CCCCCC(O)C\C=C1/C(C\C=C/CCCC(O)=O)C(O)CC1=O
|
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| MolPort-002-528-554 |
0.67 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-046-764-997 |
0.67 |
[2H]C1=C[C@@]2(C)C(=C([2H])C1=O)C([2H])([2H])C[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C([2H])([2H])C(=O)[C@]21[2H]
|
|
| MolPort-002-527-775 |
0.67 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-000-743-133 |
0.67 |
C[C@H]1CC2C3CC[C@](O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
|
|
| MolPort-046-764-827 |
0.67 |
[2H]C1=C[C@]2(C)[C@@H]3[C@@H](CCC2=C([2H])C1=O)[C@@H]1CC[C@](O)(C(=O)C([2H])([2H])O)[C@@]1(C)C([2H])([2H])C3=O
|
|
| MolPort-002-507-147 |
0.67 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-000-730-361 |
0.67 |
CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-690-441 |
0.67 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-046-766-227 |
0.67 |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO
|
|
| MolPort-001-740-041 |
0.67 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-001-740-423 |
0.67 |
CC(O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-030-042-338 |
0.67 |
CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
|
|
| MolPort-006-113-124 |
0.67 |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-035-668-920 |
0.67 |
CC12CC(O)[C@H]3C(CCC4=CC(=O)C=CC34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-196-989 |
0.67 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-001-832-305 |
0.67 |
CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-035-706-271 |
0.67 |
C[C@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-009-198-792 |
0.67 |
C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-003-804-175 |
0.67 |
C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-002-328-797 |
0.67 |
CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
|
|
| MCULE-4775236455 |
0.67 |
CC1(C2(CCC(C=O)=CC2)C(=C)CCC1)C
|
|
| MCULE-7452592467 |
0.67 |
C1(=O)C[C@@H](CC=C1C)C(C)=C
|
|
| MCULE-6744252540 |
0.67 |
C1(=O)CC(CC=C1C)C(C)=C
|
|
| MCULE-7861636306 |
0.67 |
C1(=O)C[C@@H](CC=C1C)C(C)=C
|
|
| MCULE-1451736151 |
0.67 |
C1(C(=CC[C@H](C(C)=C)C1)C)=O
|
|
| MCULE-7053911643 |
0.67 |
C(O)(=O)CC1C(CC=CC)CC(C1)=O
|
|
| MCULE-3857929176 |
0.67 |
O=C1C=C(CC2C3C=CC(CC3)C2)CC1
|
|
| MCULE-1591105974 |
0.67 |
C12(CO)CCC(CC1=CCC1C2CCC2(C1CCC2=O)C)O
|
|
| MCULE-5078166082 |
0.67 |
C1C[C@@]2([H])[C@@](C)(CC[C@H]([C@@]2(CC/C(/C=O)=C\C(=O)O)C)C)C(C)=C1
|
|
| MCULE-8259872102 |
0.67 |
C(C)(C1C(O)CC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-3800481886 |
0.67 |
C1(C)(C)C[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O)[C@](CO)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CC1
|
|
| MCULE-9211922250 |
0.67 |
C12[C@H]3[C@@](CCC(C)(C)C3)(C(O)=O)CC[C@]1(C)[C@@]1(C)CC[C@@H]3[C@@](C)(CC[C@H](O)[C@@]3(C)CO)[C@H]1CC=2
|
|
| MCULE-5390747778 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(O)=O)[H]
|
|
| MCULE-6557448423 |
0.67 |
C12CC[C@@](O)(C)C1(C)CCC1C3CCC(=O)CC=3CCC21
|
|
| MCULE-1067283755 |
0.67 |
C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-7400696054 |
0.67 |
C12C3C4C5C1C=CC5C2C4C(C(O)=O)C3C(O)=O
|
|
| MCULE-1602610126 |
0.67 |
CC1C(C)C2C(C(O)=O)(CCC3(C)C4(C)CCC5C(C)(C)C(O)C(O)CC5(C)C4CC=C32)CC1
|
|
| MCULE-4275950574 |
0.67 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2[C@H](C)C(O)=O
|
|
| MCULE-7633761938 |
0.67 |
C(O)(C1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC=C2C1)=O
|
|
| MCULE-3141539281 |
0.67 |
C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(C)CCC(O)=O
|
|
| MCULE-2313378449 |
0.67 |
C(O)(C1CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-9917637884 |
0.67 |
[C@]12(CO)CC[C@@H](CC1=CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)O
|
|
| MCULE-2671029853 |
0.67 |
[C@@]12([H])CC[C@H]([C@H](C)CCC(=O)O)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
|
|
| MCULE-5059257985 |
0.67 |
[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CCC(O)=O)CC3)CC=2
|
|
| MCULE-1780641937 |
0.67 |
C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C([C@@H](O)[C@H](O)C[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
|
|
| MCULE-3614931522 |
0.67 |
CC1([C@@]2([H])[C@]([C@@]3([C@](CC2)(C)[C@]2(C([C@]4([C@](CC2)(C(=O)O)CC[C@@H](C)[C@@H]4C)[H])=CC3)C)[H])(C)C[C@@H](O)[C@@H]1O)C
|
|
| MCULE-7172594390 |
0.67 |
C1C[C@@]2([H])[C@@](CC[C@H]([C@]2(C)CC/C(=C/C(=O)O)/CO)C)(C(CO)=C1)C
|
|
| MCULE-6409888378 |
0.67 |
C1[C@]2([H])[C@@](C(O)=O)(CC[C@]3(C)C2=CC[C@@]2([H])[C@@]3(C)CC[C@]3([H])[C@]2(C)CC[C@H](O)[C@]3(CO)C)CCC1(C)C
|
|
| MCULE-2299251979 |
0.67 |
C[C@@]12CC[C@@]3([H])C([C@@H](O)[C@H](O)C[C@]3(C)[C@@]1([H])CC=C1[C@]3([H])CC(C)(C)CC[C@]3(C(=O)O)CC[C@@]21C)(C)C
|
|
| MCULE-2675118265 |
0.67 |
C1[C@@]2([H])C3=CC[C@]4([H])[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(O)=O)CCC1(C)C
|
|
| MCULE-3171016035 |
0.67 |
C1CCC2C(C(O)=O)C2C=CC1
|
|
| MCULE-8671876949 |
0.67 |
C12CC(C3C(=O)C(O)C13)C=C2
|
|
| MCULE-5376882383 |
0.67 |
C[C@@H]1C2=CC(C=C[C@]2(C)[C@@H]2[C@H]([C@H]3[C@](C)(C[C@@H]2O)[C@@](O)(C(CO)=O)CC3)C1)=O
|
|
| MCULE-5764697777 |
0.67 |
C1=CC2(C)C3C(C4CCC(O)(C(=O)CO)C4(CC3O)C)CC(C)C2=CC1=O
|
|
| MCULE-4625091681 |
0.67 |
C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2
|
|
| MCULE-8934838036 |
0.67 |
C12(C)C=CC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(CO)=O)CC(O)C21)C)=O
|
|
| MCULE-9427838644 |
0.67 |
C12(C)CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-7939545317 |
0.67 |
O=C1C=C[C@@]2([C@]3(C(=O)C[C@@]4(C)[C@](C[C@@H]([C@@]4(C(=O)CO)O)C)([H])[C@]3([H])CCC2=C1)[H])C
|
|
| MCULE-6519818800 |
0.67 |
[C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@@](CC3)(O)C(CO)=O)C[C@H](O)[C@]21[H])[H])C)=O
|
|
| MCULE-2603291254 |
0.67 |
[C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-4494327817 |
0.67 |
C1(=O)C=CC2(C)C3C(O)CC4(C)C(O)(C(=O)CO)C(C)CC4C3CCC2=C1
|
|
| MCULE-4729751323 |
0.67 |
C[C@@H]1[C@@](C(CO)=O)(O)[C@]2(C)[C@H]([C@H]3[C@H](C(C2)=O)[C@]2(C)C(=CC(C=C2)=O)CC3)C1
|
|
| MCULE-4026689667 |
0.67 |
C1C(C)(C)C(O)(/C=C/C(O)C)C(C)=CC1=O
|
|
| MCULE-1661135480 |
0.67 |
C1C[C@]2(C)[C@@]3(O)CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC(=O)[C@@]2(O)C[C@H]1O
|
|
| MCULE-8461044873 |
0.67 |
C1(C(CC(O)=O)C(C)=O)C(=O)CC(CC=1O)(C)C
|
|
| MCULE-4596748719 |
0.67 |
C12(CCC)CCC(C=C1CCCC2=O)=O
|
|
| MCULE-2896292130 |
0.67 |
OC(C1(CC1)CC1CC=CC1)=O
|
|
| MCULE-2620645862 |
0.67 |
[O-]C(=O)CCCCCCCC=CCC=CCCCCC.[K+]
|
|
| MCULE-3005532858 |
0.67 |
OC(C1(CCC1)CC1CC=CC1)=O
|
|
| MCULE-3754202975 |
0.67 |
C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-1323244269 |
0.67 |
O=C(C1CCCC=1)C1CC2(CC2)CCC1
|
|
| MCULE-4874634113 |
0.67 |
C1(CCCC)(C(O)=O)CC(C)=C(CC1C(O)=O)C
|
|
| MCULE-7150467746 |
0.67 |
O=C(C1CCCC=1)C1C2(CCOCC2)C1
|
|
| MCULE-9326244207 |
0.67 |
O=C(C1CCCC=1)C1CCC2(CC2)CC1
|
|
| MCULE-3985606919 |
0.67 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C(=O)O)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)C
|
|
| MCULE-1175519180 |
0.67 |
C1C2C(=O)CCC=2CCC1
|
|
| MCULE-6884173238 |
0.67 |
CC1C(C(O)=O)(CC2CC=CC2)CCC1
|
|
| MCULE-5633160153 |
0.67 |
O=C1C=C(CC2CC=CC2)CC1
|
|
| MCULE-4552456295 |
0.67 |
O=C1CCC2(C)C3CCC4(C)C(=CC=C)CCC4C3CCC2=C1
|
|
| MCULE-9137191737 |
0.67 |
C1(C)(C)C=C(C)CC(C(O)=O)C1C(O)=O
|
|
| MCULE-8472407044 |
0.67 |
CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)CC(=O)C=12)O)C
|
|
| MCULE-5347536493 |
0.67 |
C1(CC2(C(CCC3C2CCC2(C3CCC2O)C)=CC1=O)C)=C([O-])C(F)(F)F
|
|
| MCULE-4587868817 |
0.67 |
CC1(C(=O)CC[C@@]2(C)C1CC(C1[C@@]3(C)[C@]([C@@H]([C@@H](C[C@@H](/C=C(/C(=O)O)\C)O)C)CC3=O)(C)CC(=O)C=12)=O)C
|
|
| MCULE-4442751651 |
0.67 |
C1=CC2C(O)C1C1C(=O)C=CC12
|
|
| MCULE-7369936803 |
0.67 |
[C@H]1(CC=CCC)C(CC[C@@H]1CC(O)=O)=O
|
|
| MCULE-5031139336 |
0.67 |
C12(C3C=CC1C(C3)C(O)=O)CC2
|
|
| MCULE-9085462824 |
0.67 |
OC(C1C(CC2CC=CC2)CCCC1)=O
|
|
| MCULE-9256733352 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@]2(C)O[Si](C)(C)C)[H]
|
|
| MCULE-8180565288 |
0.67 |
O=C1C=C(CC2C3CCC(CC3)C2)CC1
|
|
| MCULE-4596209637 |
0.67 |
CC1CC(C(O)=O)(CC2CC=CC2)CC1
|
|
| MCULE-9650544498 |
0.67 |
[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)OC(=O)C
|
|
| MCULE-4609643145 |
0.67 |
C12C(C)(C)CCCC=1CC(C(O)=O)C(C(O)=O)C2
|
|
| MCULE-5241313012 |
0.67 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O
|
|
| MCULE-4594101266 |
0.67 |
C1CC2(C)CC(=O)C=C2C1
|
|
| MCULE-9383833777 |
0.67 |
C1(O)CC2(C(O)(CO)C(=CC(C2C(C)(C1)C)=O)C)C
|
|
| MCULE-1282304829 |
0.67 |
C/C(/C)=C/CCC1CCCCC(=O)C=1
|
|
| MCULE-1720910553 |
0.67 |
[O-]C(=O)CCCCCCCC([H])=C([H])CC([H])=C([H])CCCCC.[Na+]
|
|
| MCULE-3803033906 |
0.67 |
[C@]12(C)CCC(C=C1CCCC2=O)=O
|
|
| MCULE-1850569909 |
0.67 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CCC43)C1CC[C@@H]2OC(C)=O
|
|
| MCULE-6913740702 |
0.67 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)([H])OC(C)=O
|
|
| MCULE-7859787767 |
0.67 |
CC(C(CC1CC=CCC1)=O)(C)C
|
|
| MCULE-1531956184 |
0.67 |
C12C[C@@]([H])(CCC([C@]3([C@](CC1)([C@](C)(C(OC)=O)CCC3)[H])C)=O)C(=O)C=2
|
|
| MCULE-9340600776 |
0.67 |
C1C(C(CCC=1C)CC(=O)OCC)=O
|
|
| MCULE-3625394348 |
0.67 |
O=C1C=C(CC2CC=CC2)CCCC1
|
|
| MCULE-7919759875 |
0.67 |
CC1([C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)CC(=O)C=12)O)C
|
|
| MCULE-4280394560 |
0.67 |
C1C(=O)[C@]2(C)C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2[C@](C)(CO)[C@H]1O
|
|
| MCULE-8557116567 |
0.67 |
C12([H])C(C)CCC1([H])C(C)=CC2=O
|
|
| MCULE-8392723345 |
0.67 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)OC
|
|
| MCULE-2723569406 |
0.67 |
C1CC2(C)C3C(=O)CC4(C)C(C(CCC(=O)O)=C)CC(O)C4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-2454891288 |
0.67 |
C12(C)CCC(C=C1CCCC2=O)=O
|
|
| MCULE-4576776987 |
0.67 |
C1(C2C3C4CC4(C4CCC(=C4CC3(CO)CCC2(C(C1)O)C)C(O)=O)C)C(C)C
|
|
| MCULE-4272187140 |
0.67 |
C1(CC(C)=CC(C)C1C(O)=O)C(O)=O
|
|
| MCULE-4777198621 |
0.67 |
CCCCC/C=C\CCCCCC(C(=O)O)C(O)CC(=O)O
|
|
| MCULE-4928649557 |
0.67 |
C1CC2C(=O)CC(C)(C)C=2CC1
|
|
| MCULE-6900112057 |
0.67 |
C1CCCC2C(=O)CC(C)C=2CCCCCC1
|
|
| MCULE-3553508294 |
0.67 |
OC(C1C(CC2CC=CC2)CC1)=O
|
|
| MCULE-5394370706 |
0.67 |
C12CCCC(=O)[C@@]1(C)CCC(=O)C=2C
|
|
| MCULE-3305395898 |
0.67 |
C12C3C4C5C1C(C1C5C5C4C(C(O)C5C1=O)C3=O)C=C2
|
|
| MCULE-3173207342 |
0.67 |
C(O[C@@H]1[C@]2(C)[C@H]([C@H]3[C@H](CC2)[C@]2(C)C(=CC(=O)CC2)CC3)CC1)(=O)C
|
|
| MCULE-2320815624 |
0.67 |
C1CC2C(=O)CC(C)C=2CC1
|
|
| MCULE-4374730563 |
0.67 |
O=C1CC2CCCCC2=C1
|
|
| MCULE-8052468805 |
0.67 |
C1C(CC)C(C(=O)O)C(C(=O)O)CC=1
|
|
| MCULE-1329036867 |
0.67 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2(C)O[Si](C)(C)C)[H]
|
|
| MCULE-4483288563 |
0.67 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@@]43[H])[C@]1([H])CC[C@]2(C)O[Si](C)(C)C)[H]
|
|
| MCULE-2445591436 |
0.67 |
C1C[C@]2([H])[C@](C(=O)O)(C)[C@H](C[C@@H](CC)O)C(C)=C[C@]2([H])CC1
|
|
| MCULE-3758685184 |
0.67 |
O(C(C)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O
|
|
| MolPort-003-941-834 |
0.67 |
CC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O
|
|
| MolPort-002-524-866 |
0.67 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
|
|
| MolPort-006-823-213 |
0.67 |
CC(=O)O[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-001-781-972 |
0.67 |
CC12CCC(=O)C=C1CCCC2=O
|
|
| MolPort-006-112-444 |
0.67 |
[Na+].CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O
|
|
| MolPort-001-767-705 |
0.67 |
C[C@]12CCC(=O)C=C1CCCC2=O
|
|
| MolPort-003-913-461 |
0.67 |
O=C1CC2CCCCC2=C1
|
|
| MolPort-002-508-571 |
0.67 |
CC(=O)O[C@H]1CCC2[C@@H]3CCC4=CC(=O)CCC4C3CC[C@]12C
|
|
| MolPort-002-915-044 |
0.67 |
OC1=C(Br)C(=O)CCC1
|
|
| MolPort-002-525-526 |
0.67 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-003-873-418 |
0.67 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-001-739-243 |
0.67 |
CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1(O)CO
|
|
| MolPort-002-017-775 |
0.67 |
OC(=O)C1CC2C=CC1C21CC1
|
|
| MolPort-002-054-253 |
0.67 |
CC1=C2CCCC(=O)[C@@]2(C)CCC1=O
|
|
| MolPort-002-114-330 |
0.67 |
CC1C=C(C)CC(C1C(O)=O)C(O)=O
|
|
| MolPort-002-130-596 |
0.67 |
CC1=CC(C)(C)C(C(C1)C(O)=O)C(O)=O
|
|
| MolPort-002-159-548 |
0.67 |
CCCCC1(CC(C)=C(C)CC1C(O)=O)C(O)=O
|
|
| MolPort-002-528-923 |
0.67 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-169-466 |
0.67 |
CC(=O)OC1CCC2(C)C(CCC3(C)C2C(=O)C=C2C4CC(C)(CCC4(C)CCC32C)C(O)=O)C1(C)C
|
|
| MolPort-000-832-360 |
0.67 |
CC1(C)CCCC2=C1CC(C(C2)C(O)=O)C(O)=O
|
|
| MolPort-006-111-314 |
0.67 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-016-584-574 |
0.67 |
CCCC12CCC(=O)C=C1CCCC2=O
|
|
| MolPort-022-365-293 |
0.67 |
CC1CCC(=C1)C(O)=O
|
|
| MolPort-044-727-658 |
0.67 |
[Na+].CC\C=C/C\C=C/C\C=C/CCCCCCCC([O-])=O
|
|
| MolPort-044-755-207 |
0.67 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-596-285 |
0.67 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-022-257-993 |
0.67 |
O=C1CC2CCCCCC2=C1
|
|
| MolPort-042-624-137 |
0.67 |
C\C=C1/[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H]2C1=O)[C@H](C)CCC(O)=O
|
|
| MolPort-046-508-800 |
0.67 |
O=C1CC2(CCCC2)C=C1
|
|
| MolPort-044-755-231 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34O)[C@@H]1CCC2=O
|
|
| MolPort-046-203-126 |
0.67 |
O=C1CC2(CCCCC2)C=C1
|
|
| MolPort-046-158-440 |
0.67 |
CC(C)C1=CC(=O)C2=C(CC[C@H]3C(C)=C(CC[C@]23C)C(O)=O)C1=O
|
|
| MolPort-027-853-644 |
0.67 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]3(C)CCC3[C@](C)(CO)[C@@H](O)CC(=O)[C@]43C)[C@@H]2C1)C(O)=O
|
|
| MolPort-039-339-169 |
0.67 |
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
|
|
| MolPort-007-980-885 |
0.67 |
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-019-936-820 |
0.67 |
COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CCC1=CC(=O)[C@@H](C1)CCC2=O
|
|
| MolPort-019-930-789 |
0.67 |
C[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)O[Si](C)(C)C
|
|
| MolPort-046-762-562 |
0.67 |
CC(=O)OC1(C)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
|
|
| MolPort-039-338-206 |
0.67 |
C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
|
|
| MolPort-042-665-810 |
0.67 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C=C)[C@H]3CC[C@]12C
|
|
| MolPort-046-153-147 |
0.67 |
CC12CC(=O)C3=C(C(=O)CC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
|
|
| MolPort-046-646-770 |
0.67 |
O=C1CC2(CCCCCC2)C=C1
|
|
| MolPort-030-041-203 |
0.67 |
CC1(CCC2C3CCC4=CC(=O)CCC4C3CCC12C)O[Si](C)(C)C
|
|
| MolPort-046-697-317 |
0.67 |
CC(C)C1CC(O)C2(C)CCC3(CO)CC4=C(CCC4C4(C)CC4C3C12)C(O)=O
|
|
| MolPort-035-706-391 |
0.67 |
CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(O)=O
|
|
| MolPort-046-674-170 |
0.67 |
O=C1CC2(CCC2)C=C1
|
|
| MolPort-046-691-457 |
0.67 |
CC\C=C\CC1C(CC(O)=O)CCC1=O
|
|
| MolPort-046-682-132 |
0.67 |
[Na+].CCCCC\C=C\C\C=C\CCCCCCCC([O-])=O
|
|
| MolPort-046-596-338 |
0.67 |
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4C3CC[C@]12C
|
|
| MolPort-046-690-083 |
0.67 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)\C(C[C@]34C)=C\O)[C@@H]1CC[C@@]2(O)C#C
|
|
| MolPort-030-082-369 |
0.67 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-044-727-656 |
0.67 |
[Na+].CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC([O-])=O
|
|
| MolPort-009-018-963 |
0.66 |
CCCCCC1=CC(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O
|
|
| MolPort-046-765-468 |
0.66 |
C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC(=O)[C@@]3(C)OC(C)=O)[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-046-689-512 |
0.66 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
|
|
| MolPort-000-720-153 |
0.66 |
CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
|
|
| MolPort-002-506-983 |
0.66 |
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-002-526-864 |
0.66 |
CC(=O)[C@@]12O[C@]1(C)CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-046-596-327 |
0.66 |
CC(=O)[C@@]12O[C@]1(C)CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-001-828-137 |
0.66 |
CC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
|
|
| MolPort-002-509-553 |
0.66 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-035-705-808 |
0.66 |
CC(C)C1=CC(=O)[C@](C)(O)[C@@H]2[C@@H]3C=C(C(C)C)[C@H]([C@H]12)C(=O)[C@]3(C)O
|
|
| MolPort-042-644-562 |
0.66 |
CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-046-689-231 |
0.66 |
C[C@]12C[C@H](O)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-690-127 |
0.66 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC=C2C(=O)CO
|
|
| MolPort-046-765-572 |
0.66 |
C[C@@H]1C[C@H]2[C@H]3CC[C@@](O)(C(=O)C=O)[C@@]3(C)CC(=O)[C@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-021-804-571 |
0.66 |
CC1CC(O)C(CC2=C(C)C(=O)CC12)C(=C)C(O)=O
|
|
| MolPort-046-689-244 |
0.66 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-039-338-377 |
0.66 |
CC1=C(C(O)=O)C(C)(C)C[C@H](O)C1
|
|
| MolPort-046-765-574 |
0.66 |
C[C@@H]1C[C@H]2[C@H]3CC[C@@](O)(C(=O)C=O)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-006-823-932 |
0.66 |
CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O
|
|
| MolPort-006-394-788 |
0.66 |
[2H]C([2H])([2H])[C@@H](CCCC)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O
|
|
| MCULE-8460337326 |
0.66 |
C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
|
|
| MCULE-5437278714 |
0.66 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(OC)=O)C#C
|
|
| MCULE-4825273969 |
0.66 |
[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-3655751389 |
0.66 |
[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-6095158575 |
0.66 |
C1=C(C(C)C)[C@@]2([H])[C@H]3C(C(C)C)=C[C@H]([C@@](C)(O)C3=O)[C@@]2([H])[C@@](C)(O)C1=O
|
|
| MCULE-7409296969 |
0.66 |
[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-2084098314 |
0.66 |
O=C(/C=C/CCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](C[C@H](CCCC)C)O)O
|
|
| MCULE-8107340389 |
0.66 |
C12CC(=O)C(C)=C1CC(C(C(=O)O)=C)C(O)CC2C
|
|
| MCULE-9123998949 |
0.66 |
C1CC(CC(OC)=O)(C)C(CC(OC)=O)(C)CC=1
|
|
| MCULE-6334133550 |
0.66 |
C1CC([H])(CC(OC)=O)C([H])(CC(OC)=O)CC=1
|
|
| MCULE-4023009546 |
0.66 |
C([C@]12CCC(C)(C)C[C@@]1([H])C1=CC[C@]3([H])[C@]4(CC[C@H](O)[C@@](C)(C=O)[C@]4([H])CC[C@@]3(C)[C@]1(C)C[C@H]2O)C)(=O)O
|
|
| MCULE-2374686913 |
0.66 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(O)=O)[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-1873537798 |
0.66 |
C([C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O)=C[C@H](CCCCC)O
|
|
| MCULE-7057445911 |
0.66 |
C12C(C=CC1)C2C(O)=O
|
|
| MCULE-4949013565 |
0.66 |
C(C1(C2=CCCCC2)CCCCC1)(O)=O
|
|
| MCULE-8509022096 |
0.66 |
[C@]12(C)[C@@]([H])(CC[C@@]3(C)[C@@]4(C)C([C@@]5([H])[C@](C(=O)O)(CCC(C)(C)C5)[C@H](O)C4)=CC[C@]13[H])[C@](C)(C=O)[C@@H](O)CC2
|
|
| MCULE-7400247321 |
0.66 |
C12C=CC(C)C1C2C(O)=O
|
|
| MCULE-1300466204 |
0.66 |
OC(=O)CC(O)C(C)C/C=C/CC(C)C(O)CC(=O)O
|
|
| MCULE-1027304648 |
0.66 |
O=C(/C=C1\CCCCC\1)CC1CC=CC1
|
|
| MCULE-5865455343 |
0.66 |
CC(C=O)(CC1CC=CC1)O
|
|
| MCULE-7439135180 |
0.66 |
CC(C1(C(C2CCCC=2)=O)CC1)C
|
|
| MCULE-9000633244 |
0.66 |
OC(C=O)CC1CC=CC1
|
|
| MCULE-1613021718 |
0.66 |
[K+].C1(CC2(C(CCC3C2CCC2(C3CCC2O)C)=CC1=O)C)=C([O-])C(F)(F)F
|
|
| MolPort-006-129-942 |
0.66 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-006-394-496 |
0.66 |
OC(CCCCCC\C=C/CCCCCCC#C)C(O)=O
|
|
| MolPort-019-937-248 |
0.66 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)[C@](C)(C5CC[C@@]34C)C(O)=O)C2C1)C(O)=O
|
|
| MolPort-046-153-751 |
0.66 |
CC1(C)CC[C@]2(C)CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-002-528-276 |
0.66 |
CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-046-158-502 |
0.66 |
CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O
|
|
| MolPort-021-783-103 |
0.66 |
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
|
|
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0.66 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1)C(O)=O
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CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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0.66 |
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0.66 |
CC1(C)CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)C2=C1)C(O)=O
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0.66 |
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@H]1C\C=C/CCCC(O)=O
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0.66 |
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
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0.66 |
CC1(C)CC[C@@]2([C@H](O)C[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]2C1)C(O)=O
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0.66 |
CCCCCC(=O)CC[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=O
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CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
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0.66 |
CC(C\C=C\CC(C)C(O)CC(O)=O)C(O)CC(O)=O
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0.66 |
CC\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
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0.66 |
CC1(C)CCC[C@@]2(C)[C@H]1CC=C(C=O)[C@@H]2C=O
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CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(O)=O
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CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(O)=CC[C@]4(C)[C@H]3CC[C@]12C
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0.66 |
[K+].CC12CCC3C(CCC4=CC(=O)\C(CC34C)=C(\[O-])C(F)(F)F)C1CCC2O
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0.65 |
CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
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0.65 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
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0.65 |
CCCCCCCCCCCCCCCCCCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
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0.65 |
CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
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| MolPort-000-732-301 |
0.65 |
CC(C)(O)CC[C@H](O)C(C)(O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3[C@H](O)CC12C
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| MolPort-003-959-766 |
0.65 |
CC(C)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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| MolPort-046-153-787 |
0.65 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
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| MolPort-035-686-140 |
0.65 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
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0.65 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
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|
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0.65 |
CCCCCCCCCCCCCCCCCCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
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| MolPort-002-510-055 |
0.65 |
C[C@]12CC[C@@]3(O)C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
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0.65 |
[K+].C[C@]12CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)CCC([O-])=O
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0.65 |
CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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| MolPort-006-823-887 |
0.65 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
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| MolPort-042-652-640 |
0.65 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2OC(=O)CCC1CCCC1
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0.65 |
CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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0.65 |
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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| MolPort-039-338-126 |
0.65 |
C[C@H](C[C@H](O)\C=C(/C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
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0.65 |
[K+].C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)CCC([O-])=O
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| MolPort-039-338-981 |
0.65 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
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0.65 |
CC(C)C1C(O)C=C(CO)C(=O)C1O
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CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
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CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
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0.65 |
C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O)C(O)=O
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0.65 |
CC(C)(O)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3[C@H](O)C[C@]12C
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0.65 |
CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
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CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C
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0.65 |
CCCCCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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| MolPort-039-338-983 |
0.65 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
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COC(=O)CC[C@@]1(C)[C@@H](CC[C@@H]2C1=CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CC\C=C(\C)C(O)=O)C(C)=C
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C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
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CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
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NCC1CCC(=CC1)C(O)=O
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
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CC1CCC2C(=CC3C(O)C(C)(C)CC123)C(O)=O
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CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CCC1C2(C)CCC2C(C)(C)C(O)CC(O)C12C
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OC(=O)C1C2CCC(C=C2)C1C(O)=O
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CC(O)\C=C\C1C(C)=CC(=O)CC1(C)C
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CC1(C(C2CCCCC2=C2CCCCC12)C(O)=O)C(O)=O
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NC(CC(O)=O)C1CCC=CC1
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OC(=O)C1C2CCCCC2=C2CCCCC2C1C(O)=O
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OC(=O)C1CC2CC=CC(C1)C2=O
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CC(C)C1=CC2=CCC3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
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CC(C)C1=CC2=CCC3[C@](C)(CCC[C@]3(C)C(O)=O)[C@@H]2CC1
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CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(O)=O)C2CC1
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CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)C(=O)[C@]3(CC[C@@]21C)[C@@]4(C)CC(O)=O
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CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
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CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C([O-])=O)C2CC1
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C[C@H]1CCC[C@]2(C)CC[C@H](C=C12)C(=C)C(O)=O
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C\C(CCC1C(=C)CCC2C1(C)CC(O)CC2(C)C(O)=O)=C/C(O)=O
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CCCCCC\C=C\CCCCCCCCCC(=O)OC
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CCCCCCCC\C=C/CCCCCCCCCC(=O)OC
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OC(=O)CCCCCCC\C=C/CC(O)=O
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C[C@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
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CCCCCC\C=C/CCCCCCCCCC(=O)OC
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OC(=O)CC1=CCCCC1
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CC1=CC(=O)C2C3CC(C=C3)C2C1=O
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CCCCCCCC\C=C/CCCCCC(=O)OC
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CCCCCC\C=C/CCCCCCCC(=O)OC
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CCCCCC\C=C\CCCCCCCC(=O)OC
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CCCCC1[C@H]2CC(=O)[C@H](C\C=C/CCCC(O)=O)[C@H]2CCC1=O
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=O)C1CCC2=O
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CC1=CC2(C)CC1C1C2C(=O)C=CC1=O
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CCCC\C=C/CCCCCCCC(=O)OC
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CCCCCC\C=C/CCCCCCCCC(=O)OC
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CCCCCCCC\C=C/CCCCCCCC(=O)OC
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C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C=O)C1CCC2=O
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CCCCC\C=C/CCCCCCCCCCC(=O)OC
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CCCCCCCC\C=C\CCCCCCCC(=O)OC
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CCCCCCCCCCC\C=C/CCCCC(=O)OC
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CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
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CC1(C(CC2CC=CCC2)=O)CCCC1
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[C@]12(C)CCC(C=C1[C@H](C[C@@]1([H])C3[C@@](C)([C@](CC3)(C(C)=O)OC(C)=O)CCC12)C)=O
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C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(=O)COC(C)=O)[H]
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CC(=O)[C@@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)[C@@H](C)C3)[H])([H])CC1)OC(=O)C
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C12(C)CCC(C=C1C(CC1C3C(C)(C(CC3)(C(C)=O)OC(C)=O)CCC12)C)=O
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[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(C)=O)[H]
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[C@]12(C)CCC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@](CC3)(C(C)=O)OC(C)=O)CC[C@@]12[H])[H])C)=O
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C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)COC(C)=O)CC3)CC2
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C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)C)(C(=O)C)CCC4C3CCC2=C1
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C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]2(C(C)=O)OC(C)=O
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| MCULE-8448416534 |
0.65 |
C1(CCC)C(=O)C(O)=C(C(=O)C=1O)CCC
|
|
| MCULE-8228429125 |
0.65 |
C1C2(C(C=C(C(=O)O)C2CC(O)=O)CC1(C)C)C(=O)CO
|
|
| MCULE-4113416417 |
0.65 |
[C@]12(C)C[C@H](O)C3[C@@]([H])(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(O)=O
|
|
| MCULE-5860324516 |
0.65 |
C1=C[C@]2(C(=CC1=O)CC[C@@]1([H])[C@]3([H])CC[C@](O)(C(O)=O)[C@@]3(C)C[C@@H]([C@]21[H])O)C
|
|
| MCULE-9478310264 |
0.65 |
C1=C[C@]2(C(=CC1=O)CCC1[C@]3([H])CC[C@](O)(C(=O)O)[C@]3(CC([C@]21[H])=O)C)C
|
|
| MCULE-7315684808 |
0.65 |
COC1=CC(=O)CCC1
|
|
| MCULE-5774214368 |
0.65 |
[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
|
|
| MCULE-3724391729 |
0.65 |
C1(C(O)=O)CC(C)=C(CC1C(O)=O)C
|
|
| MCULE-6147550234 |
0.65 |
[C@@H]1(C[C@@]2([C@@]3([H])CC=C4[C@@]5([H])[C@](CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@]([C@H]1O)(C)CO)(C(O)=O)CCC(C)(C)C5)C)O
|
|
| MCULE-7626806338 |
0.65 |
C1CC2(C)C3CC=C4C5C(C)C(C)C(O)CC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-2999920945 |
0.65 |
C12(C)C(C(C)CCC(OC)=O)CCC1C1C(CC2)C2(CCCCC2C=C1)C
|
|
| MCULE-5213682431 |
0.65 |
C1(C(O)=O)CC(C(C)C)=CCC1C(O)=O
|
|
| MCULE-1877150050 |
0.65 |
C12(C)CCC(O)CC1=CCC1C2CCC2(C)C(CCC21)(O)CCC(O)=O
|
|
| MCULE-5436553655 |
0.65 |
[C@@H]1(O)C[C@@]2([C@@]3([H])CC=C4[C@]5([C@](C(O)=O)(CCC(C)(C)C5)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@](C)(CO)[C@H]1O)[H])C
|
|
| MCULE-7925068743 |
0.65 |
[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@@H]1O
|
|
| MCULE-2253127357 |
0.65 |
C1(CC(C)=CCC1C(O)=O)C(O)=O
|
|
| MCULE-2458465887 |
0.65 |
O=C(OC)CCC(C)C1CCC2C1(C)C(O)CC1C2CCC2C=CCCC21C
|
|
| MCULE-5686534690 |
0.65 |
C12=CCC3C(C)(CCC4C3(C)CC(O)C(C4(C)CO)O)C1(C)CCC1(CCC(C)C(C)C21)C(O)=O
|
|
| MCULE-8031195256 |
0.65 |
[C@]12(C(=C[C@@H](O)CC1)[C@@H](C[C@@]1([C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2([H])[C@H](C)CCC(O)=O)C)[H])O)C
|
|
| MCULE-9693195749 |
0.65 |
[C@@H]1(O)C[C@@]2(C3CC=C4C5CC(C)(C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2[C@]([C@@H]1O)(C)CO)C
|
|
| MCULE-9942267030 |
0.65 |
C12(C)CC=C(C(CCCC(C)C)C(O)=O)CC1CCC1C3C(C)(CCC21)C(O)CC3
|
|
| MCULE-1218384038 |
0.65 |
[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@H]1O
|
|
| MCULE-1389326170 |
0.65 |
[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@@H]1O
|
|
| MCULE-1974040943 |
0.65 |
C12=CC[C@]3([C@@](C)(CC[C@]4([H])[C@]3(C)C[C@@H](O)[C@@H]([C@@]4(C)CO)O)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
|
|
| MCULE-4431659207 |
0.65 |
C1(O)CC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(C)C1O
|
|
| MCULE-5874149529 |
0.65 |
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCCCCC
|
|
| MCULE-5866611081 |
0.65 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-4529602980 |
0.65 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CC)CC3)CC2
|
|
| MCULE-4909263569 |
0.65 |
C[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](OC(=O)CCCCCCCCCC)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-7827480563 |
0.65 |
C1=C(C(C(O)C(C(C)C)C1O)=O)CO
|
|
| MCULE-5015030206 |
0.65 |
CCCCCCCCCCCCCCCCCCOC([C@]1(CC[C@@]2(C)[C@](C3=CC([C@]4([C@](CC[C@@]5([C@@]4(CC[C@](O)(C5(C)C)[H])C)[H])(C)[C@]3(C)CC2)[H])=O)(C1)[H])C)=O
|
|
| MCULE-7772727437 |
0.65 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CC(C2=1)=O)[H]
|
|
| MCULE-7382046053 |
0.65 |
C1(C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CCCCCC)CC3)CC2)=O
|
|
| MCULE-2384003351 |
0.65 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCCCCCCCC)=O)C)=O
|
|
| MCULE-5243784193 |
0.65 |
C(OCCCCCCCCCCCCCCCCCC)(=O)[C@@]1(C[C@@]2(C3=CC([C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC[C@]2(CC1)C)C)C)C(C)(C)[C@H](CC5)O)=O)[H])C
|
|
| MCULE-1044387998 |
0.65 |
C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)CCC5CCCC5)CCC4C3CCC2=C1
|
|
| MCULE-4772039176 |
0.65 |
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCC1CCCC1
|
|
| MCULE-1698252366 |
0.65 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1[C@H](O)CC1(C)C(CC[C@]12O)[C@@](C)(O)[C@@H](O)CCC(C)(C)O
|
|
| MCULE-2972149080 |
0.65 |
OC1CCCCC(=O)C=1F
|
|
| MCULE-8516870635 |
0.65 |
[C@]12(O)CC[C@]3(C(CC[C@]3(O)C#N)C1CCC1=CC(=O)CC[C@]21C)C
|
|
| MCULE-1768710874 |
0.65 |
O=C1C=C(OC)CC2C1(C)CC=CC2
|
|
| MCULE-9000317976 |
0.65 |
O=C(CCC1CCCC1)O[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1
|
|
| MCULE-2618463932 |
0.65 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-3608441851 |
0.65 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2OC(CCCCCCCCC)=O)[H]
|
|
| MCULE-7045925975 |
0.65 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-9771385800 |
0.65 |
C[C@@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(CC(CC2)O)=CC3=O)[H])([H])CC1)CCCC(C(F)(F)F)(F)C(F)(F)F
|
|
| MCULE-6630966108 |
0.65 |
O[C@H]1C[C@H]2C(C)(C)C(CC[C@]2(C)C2C(C[C@]3(C)[C@@H]([C@H](C)CC(C[C@H](C(=O)O)C)=O)CC([C@@]3(C)C=21)=O)=O)=O
|
|
| MCULE-8049371882 |
0.65 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-6290581989 |
0.65 |
CC(C1C2(C)CC(C3C4(C)CCC(C(C)(C)C4CC(O)C=3C2(C)C(O)C1)=O)=O)CC(CC(C(O)=O)C)=O
|
|
| MCULE-5822421820 |
0.65 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCCCCCCCC)=O)C)=O
|
|
| MCULE-9246661061 |
0.65 |
C(C(=O)OC)C[C@]1(C)C2=CC[C@@]3([C@@]([H])([C@@H](CC/C=C(\C(O)=O)/C)C)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C
|
|
| MCULE-6664715607 |
0.65 |
CC(C1C2(C)CC(C3C4(C)CCC(C(C)(C)C4CC(O)C=3C2(C)C(=O)C1)=O)=O)CC(CC(C(O)=O)C)=O
|
|
| MCULE-8267556474 |
0.65 |
C12C3C(C)(CCC(C)(C3)C(=O)OC3CCCCC3C)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-5488659453 |
0.65 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CC)=O)C)=O
|
|
| MCULE-2740918613 |
0.65 |
CC1([C@@]2([H])[C@](C3C(=O)C[C@@]4(C)[C@@](C)([C@H](C[C@@H]4[C@@H](CC(=O)C[C@H](C(=O)O)C)C)O)C=3[C@H](C2)O)(C)CCC1=O)C
|
|
| MCULE-9323409980 |
0.65 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-8392201259 |
0.65 |
C[C@@]12[C@@H](OC(=O)CCCCCCCCC)CC[C@]1([C@]1([C@]([C@@]3(C(=CC(=O)CC3)CC1)[H])([H])CC2)[H])[H]
|
|
| MCULE-8407720746 |
0.65 |
C1(C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](OC(=O)CCCCCCCCCC)CC3)CC2)=O
|
|
| MCULE-8627319345 |
0.65 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2OC(CC)=O)C)=O
|
|
| MCULE-1602734224 |
0.65 |
O(C(CCCCCC)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O
|
|
| MCULE-8613188927 |
0.65 |
CCCCCCC(O[C@@H]1[C@@]2(C)CC[C@@H]3[C@]4(C)C(=CC(CC4)=O)CC[C@H]3[C@@H]2CC1)=O
|
|
| MCULE-1390580548 |
0.65 |
C1C[C@@]2(C)C(CC[C@@H]2O)=C(C1=O)C(O)=O
|
|
| MCULE-5887629699 |
0.65 |
C1=C[C@]2(C(=CC1=O)CC[C@@]1([H])[C@]3([H])CC[C@]([H])(C(=O)O)[C@]3(CC([C@]21[H])=O)C)C
|
|
| MCULE-2528813222 |
0.65 |
C1=C[C@]2(C)C3CC[C@]4(C)C(=O)CCC4C3C[C@@H](CO)C2=CC1=O
|
|
| MCULE-3626705589 |
0.65 |
C1(CCC(CC=1)CN)C(O)=O
|
|
| MCULE-5305214615 |
0.65 |
CC(CCC/C=C/C1CC(O)CC1C(O)/C=C/C(=O)O)=O
|
|
| MCULE-6511007969 |
0.65 |
C12C(O)C(C)(C)CC31C(C)CCC3C(C(O)=O)=C2
|
|
| MCULE-6829909415 |
0.65 |
C(C(=O)O)C[C@]1(C)C2CC[C@]3(C)[C@@]([H])([C@H](C(=O)O)CC/C=C(/C)\C)[C@H](O)C[C@@]3(C)C=2CC[C@@]1([H])C(=C)C
|
|
| MCULE-9700928997 |
0.65 |
C12CCCCC1C(C(O)=O)C(C1CCCCC=21)C(O)=O
|
|
| MCULE-5926783574 |
0.65 |
C1C(O)C2(C)C3CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-4753796367 |
0.65 |
C1(O)CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C)(C1)C(O)=O)C
|
|
| MCULE-2496014695 |
0.65 |
C1(C)(C(O)=O)C2CCCCC2=C2C(CCCC2)C1C(O)=O
|
|
| MCULE-2458381576 |
0.65 |
C1C2C(=O)C(CC(C(=O)O)C2)C=C1
|
|
| MCULE-7173744939 |
0.65 |
C1C[C@]2(C)CC[C@@H](C(C(=O)O)=C)C=C2[C@@H](C)C1
|
|
| MCULE-4298708464 |
0.65 |
C(C(N)C1CCC=CC1)C(O)=O
|
|
| MCULE-4589748840 |
0.65 |
NC(C(O)=O)CC1C2C=CC(CC2)C1
|
|
| MCULE-8297574712 |
0.65 |
C1(C2CCC(C=C2)C1C(O)=O)C(O)=O
|
|
| MCULE-6713995732 |
0.65 |
C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C3=CCC2C(C)(C)C1=O
|
|
| MCULE-2721005128 |
0.65 |
C1CC2(C(CC=1)(C(O)=O)CCCC2)CC(O)=O
|
|
| MCULE-4995415924 |
0.65 |
C(CCC)CCCC/C=C\CCCCCCCC(=O)OC
|
|
| MCULE-8493572612 |
0.65 |
C([H])(CCCCCCCC)=C(CCCCCCCCCCCC(=O)OC)[H]
|
|
| MCULE-3619310950 |
0.65 |
[C@]12(C=O)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
|
|
| MCULE-6674224748 |
0.65 |
C[C@@]12C(=O)CC[C@]1([C@]1([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)C(=C)C1)[H])[H]
|
|
| MCULE-6534469638 |
0.65 |
C(CCCCC=CCCCC)CCC(=O)OC
|
|
| MCULE-9696156059 |
0.65 |
C12CC(C3C(=O)C=CC(=O)C13)C1=C2C2CC1CC2
|
|
| MCULE-6541953240 |
0.65 |
C1CCC(C(C)(C(O)=O)C)=CCCC1
|
|
| MCULE-8371261917 |
0.65 |
CC1C(=O)C2C(C3C=CC2C3)C(=O)C=1
|
|
| MCULE-9728121394 |
0.65 |
C1CC(C)(CCC#N)C=CC1=O
|
|
| MCULE-2350131012 |
0.65 |
C(CCCCCCCCC=CCCCCCC)(OC)=O
|
|
| MCULE-9253654000 |
0.65 |
C1=CC2CC1C1C(=O)C=CC12
|
|
| MCULE-9909477927 |
0.65 |
OC(CC1CCCCC=1)=O
|
|
| MCULE-4690400847 |
0.65 |
C1(CCCCCCC(=O)O)CC[C@@H](O)C=1
|
|
| MCULE-6858813637 |
0.65 |
C1=CC2CC1C1C(=O)C=CC(=O)C21
|
|
| MCULE-1953446416 |
0.65 |
C12=CC(CC[C@]1(C)[C@@]1([H])CC[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CC2=C)=O)=O
|
|
| MCULE-8045534685 |
0.65 |
C(O)(C(CC)C1CCCCC=1)=O
|
|
| MCULE-8140747078 |
0.65 |
C(CCCCCCCC=CCCCCCCCC)(OC)=O
|
|
| MCULE-1052417281 |
0.65 |
C(CCCCCCCCCCCCCC=CCCCCCCCC)(OC)=O
|
|
| MCULE-1445062394 |
0.65 |
C12(C)CC(C3C(C=CC(=O)C31)=O)C(C)=C2
|
|
| MCULE-7677256646 |
0.65 |
OC(C1(CC=CC1)CC1CCCC=1)=O
|
|
| MCULE-5533097898 |
0.65 |
C(CCCC(=O)OC)CCCC=CCCCCCC
|
|
| MCULE-3684696083 |
0.65 |
CCCCCC/C=C/CCCCCCCC(OC)=O
|
|
| MCULE-1981040221 |
0.65 |
C1CC2C3C(C)([H])C4C(=O)C=CC(=O)C4C(C)([H])C=3C1C2
|
|
| MCULE-8316425336 |
0.65 |
O=C(C12CCCCC1C2)C1CCCC=1
|
|
| MCULE-1020785874 |
0.65 |
O=C(C12CCCC1C2)C1CCCCCC=1
|
|
| MCULE-1068095495 |
0.65 |
OC1(CCC(=O)CC1)CC1CC=CC1
|
|
| MCULE-5633538128 |
0.65 |
C12CCCC1(C)CC(=O)C=2C
|
|
| MCULE-6708433496 |
0.65 |
C12CCC1C(=O)C=C2
|
|
| MCULE-5865441641 |
0.65 |
O=C(C1CCCC=1)CC1CC2C(C2)CC1
|
|
| MCULE-7541137822 |
0.65 |
O=C1C=C(C2(C)C(C)C(C)C12C)C
|
|
| MCULE-7221367574 |
0.65 |
O=C(C12CCCC1C2)C1CCCC=1
|
|
| MCULE-8777632906 |
0.65 |
O=C(C1CCCC=1)CC1CC2C(C2)C1
|
|
| MCULE-5300332080 |
0.65 |
O=C(C1CCCCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
|
|
| MCULE-1248316974 |
0.65 |
C/C(/C)=C/CCC1(CCC(=O)CC1)O
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O=C(C1CCCC=1)C1CC2C(C2)CC1
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O=C(C1CCCC=1)C1C2C(C2)CCC1
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O=C(C1CCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
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C1(CCCCC1=O)=CC(C)C
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O=C1CC(C)(C)C2CC=CCC2C1(C)C
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CC1(C(C(CC2CC=CCC2)=O)C1)C
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O=C(C1CCC1)CC1CC=CCC1
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C1C2=CCCC(C(C)C)C2CC(C=O)C1C
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CC1(C(CC2CC=CCC2)=O)CC1
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CC1C(C(CC2CC=CCC2)=O)C1
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CC1CC(C(CC2CC=CCC2)=O)C1
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CC(C(CC1C2C=CC(CC2)C1)=O)(C)C
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CC1C(C(CC2CC=CCC2)=O)CCC1
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CC1CC(C(CC2CC=CCC2)=O)CC1
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O=C(C1CC1)CC1CC=CCC1
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C1CC2(CC(=O)CC2(C)CC=1)C
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CC(C)\C=C1/CCCCC1=O
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CCCCCC(=O)\C=C/C=O
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CC(C)\C=C1\CCCCC1=O
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CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
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CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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[2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3CC[C@](OC(=O)C([2H])([2H])[2H])(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
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CC(O)=O.C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
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C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
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CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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C[C@H]1C[C@H]2C3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
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CC1CC2C3CCC(OC(C)=O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
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C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
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C[C@H]1CC2C3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
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CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
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CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
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CC(=O)O[C@@]1(CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
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CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
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C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(O)=O
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CCCCC(F)(F)[C@H](O)CC[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
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C[C@H]1C[C@H]2C3CC[C@](O)(C(O)=O)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
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CC1(C)CC2C=C(C(CC(O)=O)C2(C1)C(=O)CO)C(O)=O
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C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O)C(O)=O
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COC1=CC(=O)CCC1
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2[C@H]1C)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
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CC1=CCC(C(C1)C(O)=O)C(O)=O
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CC(C)C1=CCC(C(C1)C(O)=O)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(O)=O
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O
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CC1C(C)C2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(CC1O)C(O)=O
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CCCCC(C)(O)C\C=C\C1C(O)CC(=O)C1CCCCCCC(O)=O
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)[C@@](C)(CO)C5CC[C@@]34C)C2C1)C(O)=O
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[2H]C([2H])([2H])C(O)(C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O)C([2H])([2H])CCC
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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CCCCC(C)(O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(O)=O
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CC1=C(C)CC(C(C1)C(O)=O)C(O)=O
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[2H]\C(CCCCCCCC)=C(/[2H])C\C([2H])=C(\[2H])C\C([2H])=C(\[2H])CCCC(O)=O
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CCC1(C)CC(=C1)C(O)=O
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OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
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CC1=C(CCC1)C(O)=O
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CCCCCCC1=CCCC1=O
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[NaH].CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H]3CCC4CC(O)=CC[C@]4(C)[C@@H]3CC[C@]12C
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| MolPort-003-925-033 |
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CCCCCC1=C(C)CCC1=O
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C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
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CC12CC(=O)C3=C(C(O)CC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
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C[C@@]1(O)CC[C@H]2[C@@H]3CCC4CC(=O)\C(C[C@]4(C)[C@H]3CC[C@]12C)=C/O
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2
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CC(CC(=O)C[C@](C)(O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
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C[C@H](CC(O)\C=C(/C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
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C[C@]1(O)CCC2C3CC[C@H]4CC(=O)\C(C[C@]4(C)C3CC[C@]12C)=C\O
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C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)\C(C[C@]4(C)[C@H]3CC[C@]12C)=C/O
|
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CCCCCC1=CCCC1=O
|
|
| MolPort-005-976-303 |
0.64 |
CC1(O)CCC2C3CCC4CC(=O)\C(CC4(C)C3CCC12C)=C\O
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|
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0.64 |
C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C=O
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C[C@@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)C=CC(=O)C4(C)C)N(C)C
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|
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C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)C(O)CC1(C)C
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C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C
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CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3C(O)(O)C[C@]12C
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0.64 |
CC(=O)C12CC(C)(C)CC1C=C(C2CC(O)=O)C(O)=O
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CC1(C)CC2C1[C@@H](O)CC(=CCCC2=C)C(O)=O
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|
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0.64 |
C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC[C@@]2(O)[C@@H](O)CO
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0.64 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)[C@H](O)CO
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Cl.NCC1CCC(=CC1)C(O)=O
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COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C\C(=C\O)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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C[C@H](CC(=O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
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CC(C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1(O)CC3)C(=O)\C=C(/C)C(C)(C)O
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C[C@H](C[C@H](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=O
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CC(C)CC(=O)\C=C\CC(C)CC(C)(C)C
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CCC(O)CCC1(C)CCC(C)=CC1C
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CC(O)CC[C@]1(C)CCC(C)=CC1C
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CCC(O)CC[C@]1(C)CCC(C)=CC1C
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O=C1CCCC=C1
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CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
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CC1=C(C)[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@]2(CC1)C(O)=O
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OC(=O)[C@@H]1[C@H]2C[C@H](C=C2)[C@H]1C(O)=O
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N[C@H]1CC\C=C/CC[C@H]1C(O)=O.N[C@@H]1CC\C=C/CC[C@@H]1C(O)=O
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N[C@@H]1CC\C=C/CC[C@@H]1C(O)=O
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0.64 |
CC(CCC(O)C(C)(O)CO)C1CCC2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
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0.64 |
OC(=O)C1[C@H]2C[C@@H](C=C2)[C@H]1C(O)=O
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| MolPort-000-142-104 |
0.64 |
OC(=O)C1C2CC(C=C2)C1C(O)=O
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| MolPort-001-783-149 |
0.64 |
OC(=O)[C@H]1C2CC(C=C2)[C@H]1C(O)=O
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| MolPort-003-801-798 |
0.64 |
C[C@]1(C2CC(C=C2)[C@@H]1C(O)=O)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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COC(C)(C)[C@@H](O)[C@H](O)C[C@H](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(=O)[C@]1(C)CCC[C@@]2(C)C1CC[C@]13C=C(C(C)C)C(CC21)[C@@H]1[C@H]3C(=O)CCC1=O
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COC(=O)[C@]1(C)CCC[C@@]2(C)C1CCC13C=C(C(C)C)C(CC21)[C@@H]1[C@H]3C(=O)CCC1=O
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C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
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CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
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OC(=O)C1[C@H]2C[C@H](C=C2)C1C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(=O)C(C)(C)C5CCC34C)C2C1(C)O)C(O)=O
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CC(C)=CCCC1=CCC(C(C1)C(O)=O)C(O)=O
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C[C@H](CC[C@H](O)[C@](C)(O)CO)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
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| MCULE-1825456795 |
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C(O)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO
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| MCULE-4166872703 |
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CC1CCCC=1C(O)=O
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| MCULE-6930955162 |
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C1(CCCCC)C(=O)CCC=1C
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O=C1[C@@H](O)CC(C)(C)C(/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C2C(C)(C)C[C@H](O)C(=O)C=2C)\C)\C)/C)/C)=C1C
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[C@]12(C)[C@@]([H])(CCC3C1CC[C@]1(C3CC[C@]1(C)O)C)CC(C(=CO)C2)=O
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[H]C1(C(C(C)=C(C(C1)(C)C)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(C(CC1(C)C)(O)[H])=O)=O)O
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| MCULE-1287633510 |
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C1(CCCCCC)=CCCC1=O
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C12(C)C(CCC3C1CCC1(C3CCC1(C)O)C)CC(C(=CO)C2)=O
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[C@H]1(O)C[C@@]2([C@@]3([H])[C@H](O)C[C@@]4([C@@](CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)([H])[C@](O)(C)[C@H](O)C[C@H](O)C(C)C)C)C
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| MCULE-1724012875 |
0.64 |
O=C1[C@@H](C)[C@H](C)C(=O)C(OC)=C1OC
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| MCULE-2643922279 |
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C1(CCCCC)=CCCC1=O
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| MCULE-4026127058 |
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C(C)(=O)OC1CCC2(C)C(C1)(CC(C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC2=1)=O)[H]
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C1(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C([C@@H](O)CC2(C)C)=O)=C(C)C([C@@H](O)CC1(C)C)=O
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[C@]12(C)[C@@]([H])(CC[C@]3([H])[C@]1([H])CC[C@]1([C@@]3([H])CC[C@]1(C)O)C)CC(C(=CO)C2)=O
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| MCULE-6066053107 |
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COC1C(C(C2CCCCC=2)=O)C1
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| MCULE-3531952070 |
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C1CC2(C)C3CCC4(C)C(C(C(=O)/C=C(\C)/C(O)(C)C)C)CCC4C=3CCC2(O)C(C)(C)C1O
|
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| MCULE-2907287296 |
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C1C(CC2C1(C(C(C(=O)O)=C2)CC(O)=O)C(=O)C)(C)C
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| MCULE-7117172040 |
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C1CCCCCCCCC(C(OC)=O)=C1
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| MCULE-1910819843 |
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COC1C(C(C2CCCCCCC=2)=O)C1
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| MCULE-5207755083 |
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C1(CCCC=C1)=O
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| MCULE-8961312077 |
0.64 |
C(CC(C)CC(C)(C)C)=CC(CC(C)C)=O
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| MCULE-4736378843 |
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CC(C=O)(CC1CC=CCC1)C
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| MCULE-2215895979 |
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C1=C(C)CCC(C)(CCC(CC)O)C1C
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| MCULE-8227436556 |
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C1(=O)CCCC=CCCCCCCCCCC1
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| MCULE-4078078854 |
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CC(C(C)=O)CC1CC=CCC1
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| MCULE-1091603091 |
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C1=C(C)CC[C@@](C)(CCC(C)O)C1C
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| MCULE-8919412541 |
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C12CC(C(C(O)=O)C1C(O)=O)C=C2
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| MCULE-4622236046 |
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O=C(C1CCOCC1)CC1CC=CCC1
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| MCULE-1536126723 |
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C(O)(C1C(C2C3(CCCC3)C1C=C2)C(O)=O)=O
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| MCULE-2016404995 |
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C(O)(CC1(C)C(CC=C2C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12)([H])C(O)=O)=O
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| MCULE-8998480466 |
0.64 |
C1(CC=CCC1)C(N)C(=O)O
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| MCULE-7638135284 |
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C1(O)CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(C)(C)C1=O
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| MCULE-4786407254 |
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C1CC2=C(C3(CCC(O)C(C(=O)O)C31)C)C(CC1(C(CCC21)C(O)C)C)O
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| MCULE-7009109930 |
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C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)CO)C)CCC4(C)C3=CCC2C(C)(C)C1=O
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| MCULE-8179123738 |
0.64 |
[C@@H]1(C(=O)O)[C@]2([H])C=C[C@@]([H])(C2)[C@H]1C(=O)O
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| MCULE-8057091309 |
0.64 |
[C@@]1(C)(C(O)=O)[C@@H](C(O)=O)C2C=CC1C2
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| MCULE-9798718462 |
0.64 |
[C@@H]12C[C@H]([C@@H](C(O)=O)[C@@H]1C(O)=O)C=C2
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| MCULE-7244392169 |
0.64 |
C1(=O)C2CCCC=2C(=O)C23CC12CCC3
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| MCULE-6436563816 |
0.64 |
C(CCCCCC)CC1CC=1CCCCCCCC(=O)OC
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| MCULE-8621711737 |
0.64 |
C12([H])CCC=CCCC1(C2C(OC)=O)[H]
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|
| MCULE-8824898935 |
0.64 |
C(CC(C(C)C)/C=C/C(=C)CCC(=O)O)C(=O)C
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| MCULE-9487562113 |
0.64 |
[C@@]12(C)CCC(=O)C=C1CCC2=O
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| MCULE-1812806265 |
0.64 |
[C@]12(C)C=CC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
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| MCULE-1941485534 |
0.64 |
C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2C(C)CO)C)=O
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| MCULE-1070952436 |
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C1=CC2C3C4C5C6(C(=O)C=CC(=O)C26C4C=C5)C13
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|
| MCULE-3460481488 |
0.64 |
C1(=O)C=C2[C@](C)(C(=O)CC2)CC1
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|
| MCULE-1385714254 |
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C123C4C5C6C(C1(C(=O)C=C2C)C5C=C4)C=CC36
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| MCULE-5286515274 |
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C1C(C(C)(C(=O)O)C(=O)O)C=CCC1
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| MCULE-5173487034 |
0.64 |
C1C2CC(C=CC2=O)C(=O)C=1
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| MCULE-3216123627 |
0.64 |
C1CC(C(C1(CC(=O)O)C)CC/C(=C/CCC(=O)C)/CO)C(C)(C)O
|
|
| MCULE-2960890696 |
0.64 |
C12C(C(=O)O)C3C4C(C(C(=O)O)C(C14)C=C2)C=C3
|
|
| MCULE-2855337345 |
0.64 |
C[C@@]12[C@](O)(C)CC[C@H]1[C@@H]1CCC3[C@@](C)([C@H]1CC2)C=CC(=O)C=3
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| MCULE-5683974067 |
0.64 |
C1C[C@]2(C([C@](C(O)=O)(C)C1)CCC13C2CCC(C(CO)=C1)C3)C
|
|
| MCULE-1426909577 |
0.64 |
C1(=O)C[C@@]2([H])[C@H](C)CC(=O)/C(=C(\C)/C)/[C@@]2([H])C=C1C
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|
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0.64 |
C12(C)C=CC(C=C1CCC1([H])C2([H])CCC2(C1([H])CCC2(C)O)C)=O
|
|
| MCULE-8456618809 |
0.64 |
C12(C)CCC(=O)C=C1CCC2=O
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| MCULE-5099561644 |
0.64 |
O=C1CCC2=CC(CC[C@@]21C)=O
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CC(C1C2(C)C(O)C(C3C4(C)CCC(O)C(C)(C)C4CC(=O)C=3C2(C)C(=O)C1)=O)CC(CC(C(O)=O)C)=O
|
|
| MCULE-2587421984 |
0.64 |
O=C1C(OC)=CC(C2(C)CC=CCC21)=O
|
|
| MCULE-1100298898 |
0.64 |
C12=CC(=O)[C@]3([C@](C)(C[C@H]([C@@H](O)C3)O)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](O)CCC(C)(C)O)O
|
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| MCULE-4682332689 |
0.64 |
CC1(CC(=O)C(F)=C(O)C1)C
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|
| MCULE-4758818217 |
0.64 |
O=C1C=CC(C2C(C=CCC21)C(O)=O)=O
|
|
| MCULE-5335097568 |
0.64 |
C(O)(=O)C=CCCCCCC(C)=O
|
|
| MCULE-6100987483 |
0.64 |
C(=C/CCC(CCO)C)(\C(=O)O)/C
|
|
| MCULE-3828542428 |
0.64 |
C1C(O)C(O)(CCO)C=CC1=O
|
|
| MCULE-1755461261 |
0.64 |
[C@]1(C)(CCC(=O)O)C2CC[C@]3([H])[C@@]([H])([C@@](O)(CC/C=C(\C)/C)C)CC[C@@]3(C)[C@]2(C)CC[C@H]1C(=C)C
|
|
| MCULE-6441405293 |
0.64 |
OC(C1(CC2C(C2)C1)CC1CC=CC1)=O
|
|
| MCULE-1563230915 |
0.64 |
OCC([C@]1([C@@](C[C@@]2([C@@]1(C[C@@]([C@]1([C@]2(CCC2=CC(C=C[C@]12C)=O)[H])[H])(O)[H])C)[H])(O)[H])O)=O
|
|
| MCULE-6489078705 |
0.64 |
C1CC2([H])C(=O)C=CC(=O)C2([H])CC=1
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| MCULE-6336425947 |
0.64 |
C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@H]1O)(C)[C@@](O)(C(=O)CO)[C@@H](O)C3)CC2
|
|
| MCULE-4547070816 |
0.64 |
C1(=O)C(C)(C)C(=O)CCC(=O)C(C)(C)C(=O)C=CC(=O)C(C)(C)C(=O)CCC(=O)C(C)(C)C(=O)C=C1
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0.64 |
OC(=O)C(C1CCCC=C1)C(O)=O
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|
| MolPort-002-904-272 |
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CC12CCC(=O)C=C1CCC2=O
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| MolPort-046-693-081 |
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@H]2O
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COC(=O)[C@@H]1[C@H]2CC\C=C/CC[C@@H]12
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C[C@@]12CCC(=O)C=C1CCC2=O
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C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
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C[C@@H]1CC(=O)C([C@H]2C=C(C)C(=O)C[C@@H]12)=C(C)C
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[2H]C1([2H])C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1([2H])O
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C[C@@]12CCC[C@](C)([C@H]1CC[C@@]13C[C@@H](CC[C@@H]21)C(CO)=C3)C(O)=O
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CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
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C[C@]12CCC(=O)C=C1CCC2=O
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C[C@]12CCC[C@@](C)(C1CCC13CC(CCC21)C(CO)=C3)C(O)=O
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C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C
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COC(=O)[C@H]1[C@H]2CC\C=C/CC[C@@H]12
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CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
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C[C@H]1C[C@@H]2C3=C([C@@H](O)C[C@]2(C)C1(O)C(=O)CO)[C@@]1(C)C=CC(=O)C=C1CC3
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C[C@]12CC[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
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CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C
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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](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
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CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CCC1[C@@](C)(CCC(O)=O)[C@@H](CC[C@@]21C)C(C)=C
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| MolPort-028-750-959 |
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OCCCCCCCC=CC(O)=O
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| MolPort-046-153-095 |
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CC(CCO)CC\C=C(/C)C(O)=O
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C[C@]12CC(O)[C@H]3[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-046-153-094 |
0.64 |
OCCC1(O)C=CC(=O)CC1O
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|
| MolPort-042-675-485 |
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OC\C=C\CCCCCCCC(O)=O
|
|
| MolPort-001-762-154 |
0.64 |
CC(=O)CCCCC\C=C\C(O)=O
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|
| MolPort-046-765-424 |
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[2H]C1([2H])C([2H])(O)[C@H]2[C@@H](CCC3=CC(=O)C=CC23C)[C@@H]2C[C@@H](O)[C@](O)(C(=O)CO)[C@@]12C
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| MolPort-046-196-430 |
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OC(=O)C1=CC2CCC1C=C2
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|
| MolPort-035-394-906 |
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CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC(O)C2(O)C(=O)CO
|
|
| MolPort-003-850-491 |
0.64 |
C[C@]12C[C@H](O)[C@H]3[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-046-426-227 |
0.64 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C=O.C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C(O)O
|
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| MolPort-003-804-323 |
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OCCCCCCC\C=C\C(O)=O
|
|
| MolPort-046-765-127 |
0.64 |
C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C(O)=O
|
|
| MolPort-039-338-547 |
0.63 |
CC(C)=C1C[C@H]2C(CC[C@]2(C)O)=C(C)CC1=O
|
|
| MolPort-035-706-216 |
0.63 |
COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1
|
|
| MolPort-001-956-819 |
0.63 |
CC1C=C(C)CCC1C=O
|
|
| MolPort-002-559-654 |
0.63 |
CC1CC(C)=CC(C)[C@@H]1C=O
|
|
| MolPort-019-936-770 |
0.63 |
CC(=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3
|
|
| MolPort-002-687-552 |
0.63 |
OC(=O)CCC\C=C/CCCC(O)=O
|
|
| MolPort-000-745-819 |
0.63 |
CC1CC(C)=CC(C)C1C=O
|
|
| MolPort-000-729-513 |
0.63 |
CC1CC2=C(CC1C=O)C(C)(C)CCC2
|
|
| MolPort-035-706-300 |
0.63 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-042-620-773 |
0.63 |
CC(=O)C1CCC(C)=C(C)C1
|
|
| MolPort-002-510-659 |
0.63 |
CC(=O)[C@H]1CCC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-003-895-994 |
0.63 |
CC(=O)C1CCC(C)=CC1
|
|
| MolPort-002-506-991 |
0.63 |
CC1CC2=C(CC1(C)C(C)=O)C(C)(C)CCC2
|
|
| MolPort-027-836-470 |
0.63 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
|
|
| MolPort-027-847-264 |
0.63 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(C=O)C3CC[C@]12C
|
|
| MolPort-001-742-437 |
0.63 |
CC(CCC1(C)C(C)CCC2(CO)C1CCC=C2CO)CC(O)=O
|
|
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0.63 |
CC1CCC2(C)C(CCC=C2C)C1(C)C\C=C(\CC(O)=O)C=O
|
|
| MolPort-002-519-758 |
0.63 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)C3CC[C@]12C
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|
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0.63 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@@]34C)[C@H]2C1)C(O)=O
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CCCC1(CCC1)[C@@H](O)C\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O
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|
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0.63 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@H]2C1)C(O)=O
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CCCC1(CCC1)[C@H](O)C\C=C\[C@H]1C(O)CC(=O)C1CCCCCCC(O)=O
|
|
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0.63 |
CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
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0.63 |
CC1(C)CC[C@@]2([C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O
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|
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0.63 |
CCCCC(C)(C)[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1C\C=C/CCCC(O)=O
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0.63 |
CC(CC(=O)C[C@](C)(O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
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0.63 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
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[2H]C1=C2C([2H])([2H])C[C@H]3C4C=C[C@@](O)(C#C)[C@@]4(CC)CC[C@@H]3[C@@]2([2H])CC([2H])([2H])C1=O
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0.63 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
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|
| MolPort-001-825-650 |
0.63 |
COC(=O)CC1=C(C)C(=O)CC2C(C)(C)CCCC12C
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|
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0.63 |
CC[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@H]1C=CC2(O)C#C
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0.63 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
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0.63 |
COC(=O)CC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C
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|
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CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)C1C=C[C@@]2(O)C#C
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)C5CC[C@@]34C)C2C1
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C[C@]12CC(=O)C3=C([C@@H](O)CC4C(C)(C)C(=O)CC[C@]34C)[C@]1(C)C(=O)C[C@@H]2C(=C)CCC(O)=O
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CCC12CCC3C(CCC4=CC(=O)CCC34)C1C=CC2(O)C#C
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0.63 |
CC(C)(C)O[C@H]1CCCC2=CC(=O)CC[C@]12C
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| MolPort-046-420-032 |
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O=C1CCC2COCCC2=C1
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|
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CC(C)CCCC(C)[C@H]1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1=CC3=O)OC(C)(C)C
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]21CCC(=O)O1
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0.63 |
CC(CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
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0.63 |
CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C
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0.63 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
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0.63 |
OC(=O)C1CCCC=C1
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|
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0.63 |
CC1(CCCC=C1)C(O)=O
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0.63 |
CCCCCC\C=C/CC(O)CC(O)=O
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| MCULE-3490442378 |
0.63 |
C1C[C@]2(C)CC[C@@H](C(C(=O)OC)=C)CC2=C(C)C1
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|
| MCULE-6735391183 |
0.63 |
C12C(C)(C)CCCC=1CC(C)C(C=O)C2
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|
| MCULE-4639928435 |
0.63 |
C1CC2(C)C3CCC4(C)C(C(C)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-4834546197 |
0.63 |
C1=C(C)CCC(C=O)C1C
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| MCULE-3804311142 |
0.63 |
C1C2CC(CC(=O)C)C(C2)C=1
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|
| MCULE-5595700484 |
0.63 |
[H]C12CC=CCC1(C)C1CCC3(C)CCCC3C1C(C2)=O
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|
| MCULE-3149377803 |
0.63 |
C1CC(CCC=1C)C(C)=O
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| MCULE-3433336466 |
0.63 |
C1=C(C)CC(C(C=O)C1C)C
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|
| MCULE-2137893098 |
0.63 |
C12C(C)(C)CCCC=1CC(C)C(C)(C(C)=O)C2
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| MCULE-1881964892 |
0.63 |
C(CCCC=CCCCC(O)=O)(O)=O
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| MCULE-1280449807 |
0.63 |
CC1C(C(CC2C3C=CC(CC3)C2)=O)C1
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|
| MCULE-9761993676 |
0.63 |
C1=C(C)CC([C@@H](C=O)C1C)C
|
|
| MCULE-5866062254 |
0.63 |
O=C(C1CC1)CC1C2C=CC(CC2)C1
|
|
| MCULE-7855057974 |
0.63 |
O=C(C1CCC1)CC1C2C=CC(CC2)C1
|
|
| MCULE-3406692868 |
0.63 |
CC1(C(CC2C3C=CC(CC3)C2)=O)CC1
|
|
| MCULE-5841728721 |
0.63 |
O=C1CC2(CC=C3C4CCC(C(C)CCC(C)C(C)C)C4(C)CCC3C2(C)C1)[H]
|
|
| MCULE-3600048668 |
0.63 |
[C@@]12(C)C[C@@H](O)[C@@]3([C@@]([H])(CC(CC3)(C)C)C1=CC[C@@]1([H])[C@@]2(C)CC[C@@]2([C@]1(C)C[C@@H]([C@H](O)[C@@]2(C)CO)O)[H])C(O)=O
|
|
| MCULE-6588005387 |
0.63 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([C@]([C@@H](C[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)([C@H]1O)CO)O)(C(=O)O)CCC(C)(C)C5)[H]
|
|
| MCULE-7688714216 |
0.63 |
O=C(O)[C@@]12[C@H](O)C[C@]3(C)C(=CC[C@]4([C@@]3(C)CC[C@]3([H])[C@@]4(C[C@@H]([C@@H](C3(CO)CO)O)O)C)[H])[C@]1([H])CC(C)(C)CC2
|
|
| MCULE-3069989292 |
0.63 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-7329243914 |
0.63 |
C12(CO)CCC(C(C)(CCC(C)CC(O)=O)C1CCC=C2CO)C
|
|
| MCULE-2991933231 |
0.63 |
[C@]12(C)CCC(C=C1CCC[C@@H]2OC(C)(C)C)=O
|
|
| MCULE-9904933861 |
0.63 |
C1(CC(OC)=O)=C(C)C(=O)CC2C(CCCC12C)(C)C
|
|
| MCULE-4172470592 |
0.63 |
C(C)(=O)OC1CCC2(C)C(C1)(C(C=C1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H])=O)[H]
|
|
| MCULE-6296063373 |
0.63 |
O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(OCC)=O)C=O
|
|
| MCULE-1739744430 |
0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]12CCC(=O)O1)[H]
|
|
| MCULE-6674928970 |
0.63 |
C12C3[C@](C)(CC[C@](C)(C(OC)=O)C3)CC[C@@]1(C)[C@]1(C(C(=O)C=2)[C@@]2(C)C[C@H](Br)C(C(C)(C)C2CC1)=O)C
|
|
| MCULE-2935787590 |
0.63 |
O=C1C=CC2(C)C(C1)(CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H]
|
|
| MCULE-9618013702 |
0.63 |
O=C1C=C2C(COCC2)CC1
|
|
| MCULE-1720720428 |
0.63 |
C([C@]12CC[C@]3([H])[C@@]4([H])CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])C=C[C@@]2(O)C#C)C
|
|
| MCULE-7796574971 |
0.63 |
C1(CC(OC)=O)=C(C)C(=O)CC2C(CCC[C@]12C)(C)C
|
|
| MCULE-9035451811 |
0.63 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC12CCC(=O)O1)[H]
|
|
| MCULE-7325702279 |
0.63 |
C1C[C@]2([H])[C@@]3([H])CC[C@]4(CC)[C@@](C#C)(O)C=C[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-1470831787 |
0.63 |
C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1OC(=O)C
|
|
| MCULE-3835812075 |
0.63 |
C12(CC)CCC3C(CCC4=CC(=O)CCC43)C1C=CC2(O)C#C
|
|
| MCULE-7610148262 |
0.63 |
C1C(C(=O)O)(C)C=CCC1
|
|
| MCULE-2404322318 |
0.63 |
C(=O)(CC(O)C/C=C\CCCCCC)O
|
|
| MCULE-9116290084 |
0.63 |
OC(C=C1C(=O)C2(CCCC2)CC1)=O
|
|
| MCULE-1263670923 |
0.63 |
O=C1C2CCCCC=2C2(CCCC2)C2CCCCC=21
|
|
| MCULE-6114441516 |
0.63 |
COC1C(C(C2CCCCCC=2)=O)C1
|
|
| MCULE-6499205732 |
0.63 |
O=C1C=C(CCC2OCCCC2)CC1
|
|
| MCULE-2488392484 |
0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC(C)=C2C(C)=O)[H]
|
|
| MCULE-3363997729 |
0.63 |
C1=CC(=O)C(C([H])=C(C(O)CCCCC)[H])C1CC([H])=C(CCCC(=O)O)[H]
|
|
| MCULE-4432967237 |
0.63 |
BrC1=C(C(O)=O)CCCC1
|
|
| MCULE-7255355215 |
0.63 |
OC(CC1=C(C(O)=O)CCCC1)=O
|
|
| MCULE-9379833788 |
0.63 |
O=C1CCCC(C(=O)OC)=C1
|
|
| MCULE-7507181537 |
0.63 |
[C@]12(CCC(=O)OC)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C=O)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
|
|
| MCULE-1512611020 |
0.63 |
Cl.NC(C(O)=O)C1CC=CCC1
|
|
| MCULE-3304274375 |
0.63 |
C12=CCC(C)C1CC1(O)C(C)(CO)C2(C)CC1=O
|
|
| MCULE-7221302841 |
0.63 |
CC1(C)CC2C(C(O)=O)(CCC3C4(C)CCC5C(C(O)=O)(C)C(O)C(O)CC5(C)C4CCC=32)CC1
|
|
| MCULE-7720595428 |
0.63 |
C1[C@@]2(O)C=C[C@]3([C@]4([H])[C@@]5(C[C@]5([H])C(=O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC[C@@H]1O)[H])[H]
|
|
| MCULE-9358355806 |
0.63 |
C1=CCC23CCCCC2(C3(C(OC)=O)[H])C1
|
|
| MCULE-9416273604 |
0.63 |
CC1(CC[C@@]2(C(=O)O)[C@H](C3=C(CC2)[C@@]2(CC[C@H]4[C@@](C(=O)O)(C)[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]2CC3)C)C1)C
|
|
| MCULE-9966885116 |
0.63 |
[C@@H]1(O)CC2(C3CC=C4C5C(C)C(=C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(CO)(C)[C@H]1O)C
|
|
| MCULE-9929818229 |
0.63 |
[Na+].[Na+].C1C2CC(C(C([O-])=O)C2C([O-])=O)C=1
|
|
| MCULE-1049317957 |
0.63 |
[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)C(=C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
|
|
| MCULE-1391058013 |
0.63 |
C12(CC1)C1C=CC2C(C1C(O)=O)C(O)=O
|
|
| MCULE-6632709049 |
0.63 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(=O)CCCCC)(C(=O)C)CC3)CC2
|
|
| MCULE-7225794462 |
0.63 |
C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@@]3([H])CC[C@@]2(OC(=O)CCCCC)C(C)=O)=CC(=O)C1
|
|
| MCULE-5613497776 |
0.63 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)C(C)(C)C
|
|
| MCULE-7519944367 |
0.63 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCCC)=O
|
|
| MCULE-8140512979 |
0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(=O)C(C)(C)C)[H]
|
|
| MCULE-7091792733 |
0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(CC)=O)[H]
|
|
| MCULE-5653473871 |
0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CC)=O)[H]
|
|
| MCULE-6977514439 |
0.63 |
O=C(OCC)C1CC(=O)/C(=C(\O)/C2CC2)/C(=O)C1
|
|
| MCULE-8026671401 |
0.63 |
CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CC(C[C@H](C(=O)O)C)=O)C)C[C@@H]3O)(C)[C@H](O)C(=O)C=12)O)C
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[H][C@]12[C@@]3(CCC4[C@@](C)([C@@]3(F)[C@@H](O)C[C@]1(C)[C@](C(CO)=O)(O)CC2)CCC(=O)C=4)[H]
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[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCCC)=O)[H]
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C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCC)=O
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CC(=O)OC1CCC2(C)[C@@H](CCC3C4CC=C(C(C)=O)C4(C)CCC23)C1
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CCCCC[C@H](O)C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
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CC(=O)OC1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
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CC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC(C)=C(C(C)=O)[C@@]4(C)CCC23)C1
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C=CC(=O)C1=CCCC1
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CC[C@]12CC[C@@H]3[C@@H](CC=C4CC(=O)CC[C@H]34)[C@H]1CCC2(O)C#C
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CC1(C)CCC2(CCC3=C(CCC4C5(C)CC(O)C(O)C(C)(C5CCC34C)C(O)=O)C2C1)C(O)=O
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CC[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
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NCC1CC2CC1C=C2.OC(=O)C1C[C@H]2CC[C@@H]1C2
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COC(=O)CC[C@]12C[C@]11CC[C@]3(C)[C@H](CC[C@@]3(C)[C@@H]1CC[C@H]2C(=C)CO)[C@H](C)CC\C=C(/C)C=O
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CC1CC=C2C1CC1(O)C(=O)CC2(C)C1(C)CO
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CC1(C)CC[C@@]2(CCC3=C(CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O
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[Na+].[Na+].[O-]C(=O)C1C2CC(C=C2)C1C([O-])=O
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Cl.N[C@@H]1CC\C=C/CC[C@@H]1C(O)=O
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OC(=O)C1C(C2C=CC1C21CC1)C(O)=O
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CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
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C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CO
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C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
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CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
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CCC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
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CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CCCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
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CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
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CCC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
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CCOC(=O)C1CC(=O)C(=C(O)C2CC2)C(=O)C1
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CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
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CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
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C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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CCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
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CCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
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CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
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CCCCC\C=C/C\C=C/C(O)CCCCCCC(O)=O
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CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
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CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
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CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1
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CC\C=C/CC(O)C(O)CCC(O)CCCCCCCC(O)=O
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C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C
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CC(=C)C[C@]12CCC(=O)C=C1CCCC2=O
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CC1=CC(=O)C2CC1C(C)=CC2=O
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C[C@]12C[C@H](O)[C@H]3[C@@](C)(CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(O)=O
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C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
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CCCCC[C@@H](O)\C=C\[C@H]1C[C@H]2C[C@@H]([C@@H]1C\C=C/CCCC(O)=O)C2(C)C
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OCC\C=C/CC1C(CC(O)=O)CCC1=O
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CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)[C@](C)(O)CC1=O
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C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC=C1C
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CCCCC[C@H](O)\C=C\[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(O)=O
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CC(=O)\C=C\C=C\CCCCCCC(O)=O
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CCCCCC(=O)\C=C\C=C/CCCCCCCC(O)=O
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OCC\C=C/C[C@@H]1[C@@H](CC(O)=O)CCC1=O
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CC1(C)CC[C@]2(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]2C1
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CC1(C)CC[C@]2(C)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)=C2C1
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CC(C)=CCC\C(=C/CC\C(C)=C\CC\C(CO)=C\CO)C(O)=O
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CCCCC[C@H](O)\C=C\[C@H]1CC2CC(C2)[C@@H]1C\C=C/CCCC(O)=O
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CCCCC[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1CCCCCCC(O)=O
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CCCC\C=C1/CCCC1=O
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CC(C)=C1CC2C(CCC2(C)O)C(C)(O)CC1=O
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CCCC\C=C1\CCCC1=O
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O=C1CCCC1=C1CCCC1
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CC(CCO)CCC1C(=C)CCC2C(C)(C)CC(=O)CC12C
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C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
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CCCCC\C=C\C=C\C(=O)CCCCCCCC(O)=O
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CC1(C)CC[C@]2(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)=C2C1
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CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
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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)C4(C)C)[C@]3(C)C(=O)C[C@]12C
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CC(C)(C)C12C=CC1(C(C)(C)C)C(C)(O)C2=O
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CCCCCCCC\C(=C\CC(O)=O)C(O)=O
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OC(=O)C\C=C(\CCCCCCCCC=C)C(O)=O
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OC(=O)C1=CCCC1
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CCCCC\C=C/C\C=C/CCCC\C=C/CCCC(O)=O
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OC(=O)[C@@H]1CCC=CC1
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OC(=O)CC1CCC=C1
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CC(C)=C1CCC(C)=CC1=O
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CCCCC\C=C\C\C=C\C\C=C\C\C=C\CCCC(O)=O
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OC(=O)[C@H]1CCC=CC1
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CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
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| MolPort-009-019-253 |
0.62 |
CCCCC\C=C/CCCC\C=C/C\C=C/CCCC(O)=O
|
|
| MolPort-044-183-058 |
0.62 |
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O
|
|
| MolPort-035-706-341 |
0.62 |
C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(=C)CO)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
|
|
| MolPort-000-002-498 |
0.62 |
OC(=O)C1CCC=CC1
|
|
| MolPort-003-003-246 |
0.62 |
CCCCCC(=O)\C=C\C(O)=O
|
|
| MolPort-022-366-452 |
0.62 |
CC1(CCC=CC1)C(O)=O
|
|
| MolPort-019-937-031 |
0.62 |
CCCCCC(O)\C=C\C(O)=O
|
|
| MolPort-042-675-732 |
0.62 |
CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(O)CC=C
|
|
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0.62 |
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC21OCCO1
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CC(CC(=O)\C=C(\C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(O)=O
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C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
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0.62 |
CCCCCC1CC(=O)C=C(C)C1C(=O)OC
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0.62 |
[2H]C1=C2C(CC([2H])([2H])C1=O)=C1C=C[C@]3(C)[C@H](O)CC[C@H]3[C@@H]1CC2([2H])[2H]
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0.62 |
COC(=O)C1C(CC(C)C)CC(=O)C=C1C
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| MolPort-003-930-506 |
0.62 |
C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC=C
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CCC1CC(=O)C=C(C)C1C(=O)OC
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C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(O)CC=C
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COC(=O)C(C)C1CCC2(C)C(C1O)C(C)(O)C=CC2=O
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|
| MolPort-042-923-467 |
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COC(=O)C1C(C)CC(=O)C=C1C
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0.62 |
CC(CC(O)C(O)C(C)(C)O)C1=C2C=CC3C4(C)CCC(=O)C(C)(C)C4CCC3(C)C2(C)CC1=O
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COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
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CC1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C
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C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
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CC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2O
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CC[C@]12CC[C@@H]3[C@@H](C=CC4=CC(=O)CC[C@H]34)[C@H]1CC[C@]2(O)C#C
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CC[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
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[2H]C1=C2C(CC([2H])([2H])C1=O)=C1C=C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2([2H])[2H]
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C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
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COC(=O)C1C(CC(=O)C=C1C)C(C)C
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C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O
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C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@H]2O
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CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C=CC12C
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CC(=O)O[C@@H]1C[C@@]2(C)C(CCC2C(C)=O)C2CCC3=CC(=O)CC[C@]3(C)C12
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CCCC1CC(=O)C=C(C)C1C(=O)OC
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C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
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CC[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C
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C[C@H](CC(=O)\C=C(\C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(O)=O
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CC[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C
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CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5C(O)CC34C)C2C1C)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@@]34C)C2[C@H]1C)C(O)=O
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C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](O)[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@](C)([C@@H]5CC[C@@]34C)C(O)=O)[C@@H]2C1)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@@]34C)[C@@H]2C1)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@](C)(CC(O)=O)C(CC[C@@]34C)C(C)(C)C(O)=O)[C@@H]2[C@]1(C)O)C(O)=O
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@]1(C)O)C(O)=O
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C[C@@H]1CC[C@@]2(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]2[C@]1(C)O)C(O)=O
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OC(=O)C1CCC=C1C=O
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C[C@]12C=CC3[C@](CCC4C=3CCC(=O)C=4)([H])[C@]1([H])CC[C@]2(O)CC=C
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C1(C(OC)=O)CCC(=O)C=C1C
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C1CC2(C)C3C=CC4=C(C(CC(O)C(O)C(O)(C)C)C)C(=O)CC4(C)C3(C)CCC2C(C)(C)C1=O
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[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(C)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
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C[C@]12C=CC3[C@](CCC4C=3CCC(=O)C=4)([H])[C@]1([H])CC[C@]2(O)CC=C
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C1(C)=CC(=O)CC(CCC)C1C(OC)=O
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COC(C1C(C)=CC(=O)CC1CC(C)C)=O
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C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(OC(C)=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
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O=C1CC(C)C(C(=O)OC)C(C)=C1
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C[C@]12C=CC3[C@](CCC4C=3CCC(=O)C=4)([H])[C@]1([H])CC[C@@]2(O)CC=C
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C1(C)=CC(=O)CC(C(C)C)C1C(OC)=O
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C1(C)=CC(=O)CC(CC)C1C(OC)=O
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C[C@@]1(O)[C@@]2(C)C=CC3[C@H]([C@@H]2CC1)CCC1C=3CCC(C=1)=O
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C1(C)=CC(=O)CC(CCCCC)C1C(OC)=O
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C1CC(CCCCC(OCC)=O)CCC=1C
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[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](CO)(C)[C@H]1O
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C(=O)(O)C(C)(C)C1CC[C@@]2(C(CC=C3[C@]4([H])[C@@](O)(C)[C@H](C)CC[C@]4(C(=O)O)CC[C@@]23C)[C@@]1(C)CC(=O)O)C
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O=CC1(CCOCC1)CC1CC=CCC1
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C1=CC2C1C(C(O)=O)C2C(O)=O
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C1CC2(C)C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C)(C)C1O
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|
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[C@H]1(C[C@@]2([C@@]3([H])CC=C4[C@]5([C@](CC[C@@]4(C)[C@]3(C)C[C@H]([C@@]2([H])[C@](CO)([C@H]1O)C)O)(C(=O)O)CC[C@@H](C)[C@@H]5C)[H])C)O
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| MCULE-9093112563 |
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CC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
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| MCULE-5372838459 |
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C(=O)(/C=C(\C)/C)CC(O)C(C)C
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O=C1C(C/C=C(\C)/C)C(O)=C(C(=O)C(CC)C)C(=O)C1(O)C/C=C(\C)/C
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C1(C(C)C=CCC1(C)C)C(=O)C=CC
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O=C(C12CCCC1C2)CC1CC=CCC1
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O=C1C2CC=CCC2CC2CC=CCC21
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CC1C(=O)C(C)=C(C)C1C
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C1C2CCC(CC2C=O)C=1
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O=C(C1CC2C(C2)C1)CC1CC=CCC1
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C1(CC2CCC1C=C2)C(C)=O
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O=C(C1C2C1CCC2)CC1CC=CCC1
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C1(CCCC)C(=O)CCC=1C
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[C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])C[C@@H](CC[C@]34C)OC(CCC(C)C)=O)C1CC=C2C(C)=O
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[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCCCCCC)=O)C1CC=C2C(C)=O
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[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCCCC)=O)C1CC=C2C(C)=O
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[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC)=O)C1CC=C2C(C)=O
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C1(CCCC=1C(O)=O)C(O)=O
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C1=CCC(C(O)=O)(C)C(C(C)=O)([H])C1
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NC1C(CC(C2CCCCC=2)=O)CCC1
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OC(C=C1C(=O)C2(CCCCC2)CC1)=O
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N[C@H]1[C@H](CC(C2CCCCC=2)=O)CCC1
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| MCULE-5119373215 |
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NC1CC(C(C2CCCCC=2)=O)C1
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C(O)(C(C1CCCC=1)CCC)=O
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C1(C(=O)C=CC(=O)C=1)C[C@]1(C)[C@@H](C)CC[C@]2(C)C(=CCC[C@@H]12)C
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0.62 |
[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
|
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[C@]12(C(CO)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CCC(C=C1CC3)=O)[H]
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| MCULE-9499600420 |
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C12CC1C1C(C(O)=O)C(C(O)=O)C2C=C1
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| MCULE-6492075764 |
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C1CC2(C(CC=1)(C(O)=O)CCCC2)CCC#N
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| MCULE-4623064101 |
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CCCCCCCCC=CCCCCCCCCCCCCO
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|
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C(=CCCCC)CCCCCCCCCC=O
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| MCULE-1916450603 |
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C(CCCCCCCCO)=CCCCCCCCCO
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|
| MCULE-3124415982 |
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C1(O)C(O)C2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C(CO)(CO)C1=O
|
|
| MCULE-1321155051 |
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CCCCCCCC/C=C\CCCCCCCCO
|
|
| MCULE-9564685678 |
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C(CCCCCCCC=CCCCCCCCC)(CCCCCCCC=CCCCCCCCC)=O
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C(CCCCCCCO)=CCCCCCCCO
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| MCULE-6860357182 |
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C(CC)=CCCCCCCCCCCO
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|
| MCULE-7025674174 |
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C(C=CC(=O)C)CCCCC
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|
| MCULE-3865951643 |
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C1(C(O)=O)C(C)C(C)=CC(/C=C(/C)\C)C1C(O)=O
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| MCULE-6530848078 |
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C1C[C@@]2(C)C(CCC(=C)[C@@H]2CC/C(=C/C(OC)=O)/C)[C@](C(O)=O)(C)C1
|
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| MCULE-7030538659 |
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C12(C(=O)O)C3C4C5C1C=CC5C2(C(=O)O)C4C=C3
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|
| MCULE-8721985369 |
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OC(C1C2C(C(O)=O)C(C(O)=O)C(C=C2)C1C(O)=O)=O
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|
| MCULE-1927684059 |
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C1C(=C[C@H](/C=C(\CO)/C(O)=O)[C@@H](C(C)C)C1)CO
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|
| MCULE-2742423586 |
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O=C1CCCCCCCC=CCCCCCCC1
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|
| MCULE-6962013531 |
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C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC(=O)[C@@]2([H])[C@@](C=O)(C)[C@H]1O
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| MCULE-7776107404 |
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C(CO)CCCCCCC=CCCCCCCCC
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|
| MCULE-4878329713 |
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O=CC1(CC1)CC1CC=CCC1
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| MCULE-7459604539 |
0.62 |
O=C1C(CC2CC=CCC2)CCCCC1
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|
| MCULE-8147130899 |
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C(CCCCCC(=O)O)C(/C=C\C/C=C\CCCCC)O
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|
| MCULE-4888197133 |
0.62 |
C1(=O)CC2(C)C(CCC(C)CCO)C(=C)CCC2C(C)(C)C1
|
|
| MCULE-5343555845 |
0.62 |
OC1CC(CC2CC=CCC2)CC1
|
|
| MCULE-3919531574 |
0.62 |
C1CC(CCC=1C)C(C)CO
|
|
| MCULE-3830868177 |
0.62 |
CC1CC(CC2CC=CCC2)C(=O)CC1
|
|
| MCULE-9922742805 |
0.62 |
C(C)/C=C\CC(O)C(O)CCC(CCCCCCCC(O)=O)O
|
|
| MCULE-3707649630 |
0.62 |
C(=O)(C=C)CCCCCC(=O)O
|
|
| MCULE-2488250148 |
0.62 |
C12C=CC(C34CC=CCC13C=C4)C1C(=O)C=CC(=O)C21
|
|
| MCULE-4904029240 |
0.62 |
C(C(C)C)(=O)C1CCCC=1
|
|
| MCULE-3486573074 |
0.62 |
CC1C(=O)CCC1CC1CC=CCC1
|
|
| MCULE-5060620930 |
0.62 |
CC(C=O)(CC1C2C=CC(CC2)C1)C
|
|
| MCULE-5582529261 |
0.62 |
C/C(=C/CC/C(/C(O)=O)=C\CC/C(/C)=C/CC/C(/CO)=C/CO)/C
|
|
| MCULE-6807015507 |
0.62 |
OC1C(CC2CC=CCC2)CCC1
|
|
| MCULE-3247130765 |
0.62 |
OC1CC(CC2CC=CCC2)CCC1
|
|
| MCULE-3639141823 |
0.62 |
CC(C1(CC1)CC1CC=CCC1)=O
|
|
| MCULE-2936092419 |
0.62 |
CC(C(C)=O)CC1C2C=CC(CC2)C1
|
|
| MCULE-6531167311 |
0.62 |
CC(CCC1C2C=CC(CC2)C1)=O
|
|
| MCULE-9935430898 |
0.62 |
C(C(CCCCCC)CC=CCCCCCCCC(OC)=O)(C)=O
|
|
| MCULE-4641005233 |
0.62 |
O=CC1(CCCC1)CC1CC=CCC1
|
|
| MCULE-1031499239 |
0.62 |
CC1(CC(=O)CC1)CC1CC=CCC1
|
|
| MCULE-2997369368 |
0.62 |
CC1(CC(O)CC1)CC1CC=CCC1
|
|
| MCULE-2960240255 |
0.62 |
O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@H]5[C@]4(C)CC[C@H]23)C1(C)C
|
|
| MCULE-7656108129 |
0.62 |
CC1C(CC2CC=CCC2)CCC1O
|
|
| MCULE-8979245765 |
0.62 |
O=C1C(CC2CC=CCC2)CCC1
|
|
| MCULE-6689462252 |
0.62 |
OCCCC1C2C=CC(CC2)C1
|
|
| MCULE-2814899152 |
0.62 |
O=CC1(CCCCC1)CC1CC=CCC1
|
|
| MCULE-5304256304 |
0.62 |
C(=O)(CCCC=C)CCCCCC(=O)O
|
|
| MCULE-2076771260 |
0.62 |
O=C1CC(CC2CC=CCC2)CCCC1
|
|
| MCULE-4852376400 |
0.62 |
O=CCCC1C2C=CC(CC2)C1
|
|
| MCULE-7116827600 |
0.62 |
O=CC1(CCC1)CC1CC=CCC1
|
|
| MCULE-1097149426 |
0.62 |
OC1C(CC2CC=CCC2)CCCC1
|
|
| MCULE-8251556719 |
0.62 |
[C@H]1(C/C=C\CCO)C(CC[C@@H]1CC(=O)O)=O
|
|
| MCULE-5523359511 |
0.62 |
C1(CCCC=1)C(CC)=O
|
|
| MCULE-9608185744 |
0.62 |
CC1CC(C=O)(CC2CC=CCC2)CC1
|
|
| MCULE-1741751705 |
0.62 |
C[C@]12[C@@]3(CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC=C1[C@H]1[C@H](CCC(C1)(C)C)CC2)C
|
|
| MCULE-1159166918 |
0.62 |
[C@]12(C)C[C@]([H])(O)[C@]3([C@@](C)(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)O)[H]
|
|
| MCULE-1739570677 |
0.62 |
[C@@]12([H])CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C[C@]2(O)C
|
|
| MCULE-4490380859 |
0.62 |
O=C1CCC2(C)C3CC=C4C5(CC(C)(C)CCC5(C)CCC4(C)C3(C)CCC2(C1(C)C)[H])[H]
|
|
| MCULE-9623046872 |
0.62 |
C1(=CCCC1)C(=O)C
|
|
| MCULE-3340613267 |
0.62 |
C12(C)C3C(C4C(C)(CC3)C(C(C)=O)CC4)CCC1=CC(=O)CC2=O
|
|
| MCULE-5606035595 |
0.62 |
C1(O)(C)C2CCC(O)(C)C2C/C(=C(\C)/C)/C(=O)C1
|
|
| MCULE-7089035597 |
0.62 |
C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(C)CCC(C)C(C)C21[H])[H]
|
|
| MCULE-4531694532 |
0.62 |
C1=CC2C3C=CC3C1C1C(=O)C=CC(=O)C12
|
|
| MCULE-4205891729 |
0.62 |
C1(/CCCC/1=O)=C1\CCCC\1
|
|
| MCULE-7908633302 |
0.62 |
CC1C(C=O)(CC2CC=CCC2)CCC1
|
|
| MCULE-3243112791 |
0.62 |
C(/CC(=O)O)=C(\CCCCCCC=C)/C(=O)O
|
|
| MCULE-2591985853 |
0.62 |
CC1(C(CC2CC=CCC2)=O)OCCC1
|
|
| MCULE-4187073986 |
0.62 |
CCCCCCCCCC/C(/C(=O)O)=C\CC(=O)O
|
|
| MCULE-6267867370 |
0.62 |
C12(C(C)(C)C)C=CC1(C(=O)C2(C)O)C(C)(C)C
|
|
| MCULE-2266106107 |
0.62 |
C1(=O)CCCC(O)=C1Cl
|
|
| MCULE-7990472329 |
0.62 |
C1(CC2(CC1([H])C=C2)[H])C(N)C(O)=O
|
|
| MCULE-2321781017 |
0.62 |
CC1OC(C(CC2CC=CCC2)=O)CC1
|
|
| MCULE-3153400458 |
0.62 |
C1CC(C(=O)OC)=CCC1
|
|
| MCULE-1292561691 |
0.62 |
CC1C(C(CC2CC=CCC2)=O)OCC1
|
|
| MCULE-6259433997 |
0.62 |
CCCCCCCC/C(/C(=O)O)=C/CC(=O)O
|
|
| MCULE-1249084285 |
0.62 |
C(/CC(=O)O)=C(\CCCCCCCCC=C)/C(=O)O
|
|
| MCULE-5049706558 |
0.62 |
C1(CC(O)=O)(C(O)CCC(=O)C1)C/C=C(\C)/CC(/C=C(\C)/C)=O
|
|
| MCULE-5009469360 |
0.62 |
[C@@H]1(C(O)=O)CCC=CC1
|
|
| MCULE-5070166283 |
0.62 |
C1(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=CC(C2(CCCC2)C(=O)C=C1)=O)=O)=O)=O
|
|
| MCULE-4042007732 |
0.62 |
C1(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O)=O)=O
|
|
| MCULE-2256614888 |
0.62 |
C1(=O)C(C)(C)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(=O)C(C)(C)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O
|
|
| MCULE-7182736800 |
0.62 |
C(CC=CCCCC(O)=O)=CCC=CCC=CCCCCC
|
|
| MCULE-1597942572 |
0.62 |
OC([C@@H]1CC=CCC1)=O
|
|
| MCULE-3541967763 |
0.62 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)CO
|
|
| MCULE-9091234698 |
0.62 |
C(C)CCCC(O)/C=C/C(=O)O
|
|
| MCULE-9797420475 |
0.62 |
OC([C@H]1CC=CCC1)=O
|
|
| MCULE-7139174666 |
0.62 |
C1CC(C(O)=O)(CC=C1)[H]
|
|
| MCULE-5453524094 |
0.62 |
OC(C1CC(CC2CC=CC2)(O)C1)=O
|
|
| MCULE-3490312737 |
0.62 |
C/C(/C)=C\CC1(C(O)=O)CC2(CCC2)C1
|
|
| MCULE-6262725586 |
0.62 |
OC(C1CC=CCC1)=O
|
|
| MCULE-7293878607 |
0.62 |
C(/C/C=C\CCCC(=O)O)=C/C/C=C\C/C=C\CCCCC
|
|
| MCULE-6215840629 |
0.62 |
[C@H]1(C(O)=O)CCC=CC1
|
|
| MCULE-1201927354 |
0.62 |
C1(C(CC)(CC)C(=O)C=CC(C2(CCCCC2)C(=O)C=CC(C(CC)(CC)C(=O)C=CC(C2(CCCCC2)C(=O)C=C1)=O)=O)=O)=O
|
|
| MCULE-4926555419 |
0.62 |
C1C(C)C(C(O)=O)/C(=C(/C)\C)/C1
|
|
| MCULE-7136534003 |
0.62 |
CC=CCC1(C(O)=O)CC2(CCC2)C1
|
|
| MCULE-5559711812 |
0.62 |
C1(=O)C=C2C(CC1)=C1[C@]([H])([C@@]3([H])[C@@](C=C1)(C)[C@@](CC=C)(O)CC3)CC2
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| MolPort-042-620-890 |
0.62 |
O=C[C@@H]1C[C@H]2CC[C@@H]1C=C2
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| MolPort-046-646-759 |
0.62 |
O=C1C=CCC11CCCCC1
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|
| MolPort-020-173-637 |
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CC1=CC2CC(C1)CC(=O)C2
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O=CC1CC2CCC1C=C2
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|
| MolPort-046-702-932 |
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CCCCC1=CCCC1=O
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|
| MolPort-035-757-790 |
0.62 |
CC(=O)C1CC2CCC1C=C2
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| MolPort-046-149-617 |
0.62 |
O=C1CC2C=CCCC12
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| MolPort-001-767-082 |
0.62 |
CCCCC1=C(C)CCC1=O
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|
| MolPort-004-831-228 |
0.62 |
C\C=C\C(=O)C1C(C)C=CCC1(C)C
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|
| MolPort-001-767-980 |
0.62 |
CC1C(C)C(=O)C(C)=C1C
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| MolPort-046-596-558 |
0.62 |
CCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
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|
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0.62 |
COC(=O)C1=CC2CC\C=C/CCC12
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|
| MolPort-046-596-485 |
0.62 |
CC(C)CCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
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CCCCCCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
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0.62 |
CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@H]1C\C=C/CCCC(O)=O
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CC(C)CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
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CCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
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| MolPort-039-138-874 |
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CCCCC[C@@](C)(O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
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|
| MolPort-002-530-517 |
0.62 |
CCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@H]23)C1
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CCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC=C(C(C)=O)[C@@]4(C)CCC23)C1
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|
| MolPort-003-939-181 |
0.62 |
CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-044-183-171 |
0.62 |
CCCCC(C)(C)[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-044-650-173 |
0.62 |
CCCCCCCCCCCCCC\C=C\CCCC(=O)OC
|
|
| MolPort-003-922-264 |
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OC(=O)C1=C(CCC1)C(O)=O
|
|
| MolPort-046-765-398 |
0.62 |
C[C@@H]1C[C@H]2C3=CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)C1(O)C(=O)CO
|
|
| MolPort-002-558-658 |
0.62 |
CC1(C)CC(O)=C(C(CC(O)=O)C(O)=O)C(=O)C1
|
|
| MolPort-002-529-818 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1C[C@H]1O[C@@]21C(=O)CO
|
|
| MolPort-046-766-238 |
0.62 |
C[C@H]1C[C@@H]2C3=CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)C1(O)C(=O)CO
|
|
| MolPort-046-690-258 |
0.62 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-006-069-223 |
0.62 |
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-001-989-180 |
0.62 |
CC1C(C(C(C=C(C)C)C=C1C)C(O)=O)C(O)=O
|
|
| MolPort-003-987-053 |
0.62 |
CCCCCCCC\C=C/CCCCCCCCCCCCO
|
|
| MolPort-002-511-086 |
0.62 |
CC\C=C\CCCCCCCCCCO
|
|
| MolPort-003-931-111 |
0.62 |
CCCCCCCC\C=C/CCCCCCCCO
|
|
| MolPort-046-589-793 |
0.62 |
CCCC\C=C/CCCCCCCCCCCCO
|
|
| MolPort-001-970-998 |
0.62 |
OC(=O)C1C2C=CC(C3CC23)C1C(O)=O
|
|
| MolPort-039-338-234 |
0.62 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H]([C@@H](O)C=C21)C(=C)C3)C(O)=O
|
|
| MolPort-035-706-451 |
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C=O)[C@@H]5C(=O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-005-273-812 |
0.62 |
OC(=O)C1C2C=CC(C1C(O)=O)C(C2C(O)=O)C(O)=O
|
|
| MolPort-022-880-989 |
0.62 |
O=C1CCCCCCC\C=C/CCCCCCC1
|
|
| MolPort-019-936-806 |
0.62 |
C[C@@H]1[C@H]2C3=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@]2(CCC1=C)C(O)=O
|
|
| MolPort-003-959-163 |
0.62 |
CCCCCC\C=C/CCCCCCCCO
|
|
| MolPort-003-928-545 |
0.62 |
CCCC\C=C/CCCCCCCCCC=O
|
|
| MolPort-006-131-526 |
0.62 |
CCCC\C=C/CCCCCCCCCCCC=O
|
|
| MolPort-046-792-964 |
0.62 |
CCCCCCCCCC\C=C/CCCCCCCCO
|
|
| MolPort-027-853-563 |
0.62 |
CC(C)[C@H]1CCC(CO)=C[C@@H]1\C=C(/CO)C(O)=O
|
|
| MolPort-027-640-984 |
0.62 |
CCCCC\C=C/C=C1\[C@@H](C\C=C/CCCC(O)=O)CCC1=O
|
|
| MolPort-006-128-344 |
0.62 |
CCC\C=C/CCCCCCCO
|
|
| MolPort-003-721-217 |
0.62 |
CCCC\C=C\CCCCCCO
|
|
| MolPort-006-131-022 |
0.62 |
CCCC\C=C/CCCCCCCCCCO
|
|
| MolPort-006-133-633 |
0.62 |
CCCCCC\C=C/CCCCCC=O
|
|
| MolPort-044-755-255 |
0.62 |
CC(=O)[C@]1(C)[C@H](O)CC2=C1CC[C@H]1[C@H]2CC=C2C[C@@H](O)CC[C@]12C
|
|
| MolPort-001-740-480 |
0.62 |
COC(=O)\C=C(/C)CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O
|
|
| MolPort-046-691-151 |
0.61 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
|
|
| MolPort-002-800-312 |
0.61 |
COC(=O)C1=C(C2CCC1CC2)C(=O)OC
|
|
| MolPort-035-706-265 |
0.61 |
CC1=CC(=O)CC(C)(C)[C@@]1(O)\C=C\[C@H](O)CO
|
|
| MolPort-042-652-807 |
0.61 |
C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-000-855-076 |
0.61 |
C\C=C\C(=O)C1C(C)=CCCC1(C)C
|
|
| MolPort-004-964-306 |
0.61 |
C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)CCC1(C)C
|
|
| MolPort-039-061-801 |
0.61 |
C[C@H](C[C@H](O)[C@@H](O)C(C)(C)O)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
|
|
| MolPort-046-774-240 |
0.61 |
OC(=O)C12CCC(C1)C=C2
|
|
| MolPort-046-690-270 |
0.61 |
C/C(/C=C/C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C\C=O
|
|
| MolPort-027-640-932 |
0.61 |
CCCCC[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-039-338-638 |
0.61 |
C[C@H](C[C@H](O)[C@@H](O)C(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-003-848-321 |
0.61 |
C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C)=C/C=O
|
|
| MolPort-027-640-933 |
0.61 |
CCCCC[C@H](O)\C=C\[C@H]1CC[C@@H](O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-001-742-733 |
0.61 |
CCCCCCCC(O)\C=C/C(O)CCC(O)CCCC(O)=O
|
|
| MolPort-003-959-458 |
0.61 |
CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OC
|
|
| MolPort-039-338-606 |
0.61 |
CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)C(=C)CC1=O
|
|
| MolPort-001-741-468 |
0.61 |
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
|
|
| MolPort-039-338-222 |
0.61 |
C[C@]1(CCC[C@]2(C)[C@@H]1[C@@H](O)C[C@@]13C[C@@H](CC=C21)C(=C)C3=O)C(O)=O
|
|
| MolPort-020-005-739 |
0.61 |
CC(C)(O)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-023-219-131 |
0.61 |
CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O
|
|
| MolPort-035-682-981 |
0.61 |
CC1(C)CC[C@@]2(CC[C@]3(C)[C@@H]([C@H]2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)C2CC[C@@]31C)C(O)=O
|
|
| MolPort-046-598-007 |
0.61 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OP([O-])([O-])=O
|
|
| MolPort-046-765-549 |
0.61 |
[2H]C1([2H])C(=O)O[C@]2([C@H]3C[C@H]3[C@H]3[C@@H]4[C@H]5C[C@H]5C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C1([2H])[2H]
|
|
| MolPort-002-536-300 |
0.61 |
CCCNC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@]2(C)C1
|
|
| MolPort-002-911-147 |
0.61 |
CC(=O)O[C@@]1(C)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
|
|
| MolPort-003-847-034 |
0.61 |
C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
|
|
| MolPort-046-689-666 |
0.61 |
C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
|
|
| MolPort-046-701-787 |
0.61 |
C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@]21CCC(=O)O1
|
|
| MolPort-046-153-167 |
0.61 |
CC(CC\C=C(/C)C(O)=O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
|
|
| MolPort-005-944-428 |
0.61 |
CC1=C2C=C(CO)C(CO)CCC2(C)CCC1=O
|
|
| MolPort-019-922-066 |
0.61 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(C2C1)C(=O)C=C1[C@@]2(C)C=C(C#N)C(=O)C(C)(C)[C@@H]2CC[C@@]31C)C(O)=O
|
|
| MolPort-039-338-836 |
0.61 |
C[C@H](CC(=O)\C=C(\C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MolPort-039-338-839 |
0.61 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=CCC4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-046-761-515 |
0.61 |
C[C@@H]1C[C@@]2(CCC(=O)O2)[C@@]2(C)CC[C@H]3C([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@H]12
|
|
| MCULE-4300685547 |
0.61 |
C1(C)C(C)C(CC(=O)CC(=O)OCC)C(=O)C=1
|
|
| MCULE-1595417644 |
0.61 |
OC(C1CC(C2CCC2)CCC=1Cl)=O
|
|
| MCULE-2819471637 |
0.61 |
OC(C1CC2(CC2)CCC=1Cl)=O
|
|
| MCULE-7184104452 |
0.61 |
C12CCC(C=C1)C(C(O)=O)=C2C(O)=O
|
|
| MCULE-3785825090 |
0.61 |
C1(C=O)[C@]2([H])C(=O)[C@@H](O)[C@@H](C)[C@@]2([H])C[C@]2(C)CCC(C(C)CO)=C2CC=1
|
|
| MCULE-2326280646 |
0.61 |
C(O)(=O)C(CCC)=CCC(C)C
|
|
| MCULE-7916341231 |
0.61 |
[C@]12(C)CCCC(=O)[C@]1([H])CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)(C)O
|
|
| MCULE-8828485995 |
0.61 |
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](O)C(=C)C)CC[C@]21C)O)(C)C
|
|
| MCULE-5757363366 |
0.61 |
C12C3C4C=CCC4C1C(C)(C(OC)=O)C1C4CCC5(C)C(O)C3(C)C(C45)C21
|
|
| MCULE-2579370760 |
0.61 |
C12CCCCC1(C)C=CC1=C(C)C(=O)CCC21
|
|
| MCULE-2959266522 |
0.61 |
CCCCCCCC(O)/C=C\C(CCC(O)CCCC(=O)O)O
|
|
| MCULE-4673155716 |
0.61 |
C(/C1=C(C(=O)CCC1(C)C)C)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C(=O)CCC1(C)C)C
|
|
| MCULE-6839835548 |
0.61 |
C1C(C)(C)C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C)=C(C)C(=O)C1
|
|
| MCULE-7184031760 |
0.61 |
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](O)C(O)(C)C)CC[C@]21C)O)(C)C
|
|
| MCULE-4060282567 |
0.61 |
O=C1C(C)(C)C2(C)C3C(C=CC(C3C1(C)C(C)=C2C)=O)=O
|
|
| MCULE-5897136444 |
0.61 |
[C@@H](O)(CCCCCC)CC=CCCCCCCCC(=O)OC
|
|
| MCULE-5183068201 |
0.61 |
C(CCCCCCCC=CCC(CCCCCC)O)(OC)=O
|
|
| MCULE-7060204243 |
0.61 |
CC1C(CCC2CCCCC=2)C(=O)CO1
|
|
| MCULE-8972335438 |
0.61 |
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
|
|
| MCULE-6709332090 |
0.61 |
C1(CC2(C=1)CC(=C2)C(O)=O)C(O)=O
|
|
| MCULE-8374344586 |
0.61 |
O=C1C(CCC2CCCCC=2)COC1
|
|
| MCULE-7541730655 |
0.61 |
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
|
|
| MCULE-6898850815 |
0.61 |
COC1C(C(C2CCCC=2)=O)C1
|
|
| MCULE-4350004042 |
0.61 |
C12=CC(=O)C3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(C)CCC(C)(C(NCCC)=O)CC21C)[H]
|
|
| MCULE-2276317128 |
0.61 |
C12C3C(C)(CCC(C)(C(OCC=C)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)OC(C)=O)C
|
|
| MCULE-3583239018 |
0.61 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(=C)C2=C1)OC(C)=O
|
|
| MCULE-4899690160 |
0.61 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H]4C[C@@H]4[C@@]3([H])[C@]1([H])[C@@H]1C[C@@H]1[C@]12CCC(=O)O1)C
|
|
| MCULE-1744907330 |
0.61 |
C1CC2(CCC(CO)C(CO)=CC2=C(C1=O)C)C
|
|
| MCULE-5593960668 |
0.61 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)OC(CC)=O
|
|
| MCULE-4536924214 |
0.61 |
C12=CC(=O)[C@]3([C@@](C)(CC[C@@]4([H])C([C@@H](O)CC[C@]34C)(C)C)[C@]1(C)CC[C@@]1(C)CC[C@](C)(C(NCCC)=O)C[C@@]21C)[H]
|
|
| MCULE-3353701926 |
0.61 |
O1C2C1C1CC2C2C1C(C=CC2=O)=O
|
|
| MCULE-4498813870 |
0.61 |
CC1(C(=O)C(=C[C@@]2(C3=CC(=O)[C@@]4([H])[C@@](C)(CC[C@]5(C(=O)O)[C@@]4([H])CC(C)(C)CC5)[C@]3(C)CC[C@@]12[H])C)C#N)C
|
|
| MCULE-3344154059 |
0.61 |
O=C1CCC2(C3C(CC4(C)C(CCC4C3CCC2=C1)OC(C)=O)OC(C)=O)[H]
|
|
| MCULE-2024719526 |
0.61 |
C1[C@@]2(C)[C@@]([H])(CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(O)=O)CCC(C)(C)C[C@@]5([H])[C@@]4([H])C(=O)C=C23)C(C)(C)C(=O)C=1C#N
|
|
| MCULE-7236722260 |
0.61 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@@](CCC21)(C)OC(=O)C)=O
|
|
| MCULE-2031126090 |
0.61 |
C1CC2(C)C3=CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CC(O)C4(C)C3=CCC2C(C)(C)C1=O
|
|
| MCULE-7023706443 |
0.61 |
C1C(O)C(C)(C)C2CC=CCC2(C)C1
|
|
| MCULE-8109491654 |
0.61 |
[C@]12(C)CC[C@H]3[C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)[C@@H]1CCC2=O
|
|
| MCULE-3487233745 |
0.61 |
C1(C)CC(C)C(CC=1C)C=O
|
|
| MCULE-8989542766 |
0.61 |
C12C3C(C4(C)C(CC3)CC(=O)CC4)CCC=1C(CC2)(C)C
|
|
| MCULE-4780950529 |
0.61 |
[H]C12CCCC=C1CCC1C3CCC(O)C3(C)CCC21
|
|
| MCULE-5534930691 |
0.61 |
C1CC(CCC=1C)C=O
|
|
| MCULE-9576334626 |
0.61 |
C(C1CC(C)=CC(C)C1C)=O
|
|
| MCULE-4392799968 |
0.61 |
C1(C=O)CCC(C)=C(C)C1
|
|
| MCULE-5946438019 |
0.61 |
C[C@]12C3[C@@H]([C@@]4([C@@H](CC=3)C(C)(C)[C@H](O)CC4)C)CC[C@]1(C)[C@@H]1[C@@H](C)[C@H](C)CC[C@]1(C)CC2
|
|
| MCULE-8650890619 |
0.61 |
CC1(C(C(CC2CC=CCC2)O)C1)C
|
|
| MCULE-1095982134 |
0.61 |
[H]C12CC(O)CCC1(C)C1C=CC3(C)C(CCC3C(C)CCCO)C1CC2
|
|
| MCULE-7528842962 |
0.61 |
C1(C)C[C@H](C)[C@@H](CC=1C)C=O
|
|
| MCULE-2484766562 |
0.61 |
C1C[C@@]2([C@]3(CC[C@@]4([C@]5([C@H](C(C)=C)CC[C@]5(C=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)[H])[H])[H])C
|
|
| MCULE-5966520622 |
0.61 |
C1C[C@@]2([H])[C@](C)(CC=1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(=O)CC3)CC2
|
|
| MCULE-3814030883 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)C1CCC2=O
|
|
| MCULE-4409286429 |
0.61 |
O=C1CCC2(C)C1(CCC1(C)C3(C)CCC4(C)CCC(C)(C)CC4(C3=CCC21)[H])[H]
|
|
| MCULE-3227878705 |
0.61 |
[H]C12CC=CCC1(C)C1CCC3(C)C(CCC3C1CC2)=O
|
|
| MCULE-1753922453 |
0.61 |
[H][C@@]12[C@]3(CC[C@]4([C@](C)([C@]3(C)CC[C@@]1(C=O)CC[C@H]2C(=C)C)CC[C@]1([H])[C@@]4(CC[C@@H](C1(C)C)O)C)[H])[H]
|
|
| MCULE-3236832984 |
0.61 |
C12(C)C(C(C)CCCO)CCC1C1C(CC2)C2(CCCCC2C=C1)C
|
|
| MCULE-5790792765 |
0.61 |
O=C1C(CC2C3C=CC(CC3)C2)CCC1
|
|
| MCULE-5588914917 |
0.61 |
O=CC1(CCC1)CC1C2C=CC(CC2)C1
|
|
| MCULE-8573249352 |
0.61 |
[H]C12CC=CCC1(C)C1CCC3(C)C(CCC3C1CC2)C(C)=O
|
|
| MCULE-9756913466 |
0.61 |
C12CCC3=CCCCC3C1CCC1(C)C(CCC21)=O
|
|
| MCULE-4126238786 |
0.61 |
O=CC1(CC1)CC1C2C=CC(CC2)C1
|
|
| MCULE-7688284225 |
0.61 |
C1(C=O)(C)CCC(C)=C(C)C1
|
|
| MCULE-6337171250 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])CC=CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
|
|
| MCULE-5954084349 |
0.61 |
CC(C(CC1CC=CCC1)O)(O)C
|
|
| MCULE-1038909539 |
0.61 |
C1C[C@]2(C)C3CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2[C@](CO)(C)[C@@H]1O
|
|
| MCULE-4823416344 |
0.61 |
CC(C1(CC1)CC1C2C=CC(CC2)C1)=O
|
|
| MCULE-5100609642 |
0.61 |
[C@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)[C@]1(C)CCC1[C@@]3(C(C(C)(C)[C@H](CC3)O)CCC2=1)C)C
|
|
| MCULE-7286438796 |
0.61 |
CC1(C(=O)C(=CC(O)=O)CCC1)C
|
|
| MCULE-5820761773 |
0.61 |
OC(C1(C2CCCCCC2)CC=CC1)=O
|
|
| MCULE-6852628228 |
0.61 |
OC(C1(CC=CC1)CC1CCC1)=O
|
|
| MCULE-1109890298 |
0.61 |
CCC1CC(=CC(O)=O)C(=O)CC1
|
|
| MCULE-9582195314 |
0.61 |
C1(CCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O
|
|
| MCULE-5267198059 |
0.61 |
OC(C1(CC=CC1)CC1CCCCC1)=O
|
|
| MCULE-6540776662 |
0.61 |
CC1(CCC1)CC1(C(O)=O)CC=CC1
|
|
| MCULE-4248274366 |
0.61 |
OC(C1(CC=CC1)CC1CCCC1)=O
|
|
| MCULE-3468058170 |
0.61 |
C1(CCCCCCC2=CC(C(C)=CC2=O)=O)=CC(C(C)=CC1=O)=O
|
|
| MCULE-1410261429 |
0.61 |
CC(C1CC(=CC(O)=O)C(=O)CC1)(C)C
|
|
| MCULE-3617164163 |
0.61 |
CC1(CC(=CC(O)=O)C(=O)CC1)C
|
|
| MCULE-6215916748 |
0.61 |
OC(C1(CC=CC1)CC1CC1)=O
|
|
| MCULE-1085165933 |
0.61 |
[C@]12(C)CCC[C@](C)(C(=O)O)[C@]1([H])CCC(=C)[C@@H]2CCC(C)=CCO
|
|
| MCULE-4434409577 |
0.61 |
CC(C1CC(=CC(O)=O)C(=O)CC1)C
|
|
| MCULE-8485600766 |
0.61 |
O=C1C(C(C)(C)CC(C)(C)C)=CC(C(C(CC(C)(C)C)(C)C)=C1)=O
|
|
| MCULE-8993774901 |
0.61 |
CCCC1CC(=CC(O)=O)C(=O)CC1
|
|
| MCULE-4905768266 |
0.61 |
OC(C=CC(C1CCCC1)=O)=O
|
|
| MCULE-9838503328 |
0.61 |
OC(C=C1C(=O)CCCCC1)=O
|
|
| MCULE-2300065923 |
0.61 |
C1(CCCCCCC2=CC(C=CC2=O)=O)=CC(C=CC1=O)=O
|
|
| MCULE-3226283664 |
0.61 |
CC1CC(=O)C(=CC(O)=O)C(C)C1
|
|
| MCULE-6424725551 |
0.61 |
C1C[C@@](C2CC[C@](C)([C@@H]([C@@]2(C)C1)CC/C(/C)=C\CO)O)(C(O)=O)C
|
|
| MCULE-2820125963 |
0.61 |
CC1CC(=CC(O)=O)C(=O)CC1
|
|
| MCULE-4851646103 |
0.61 |
CC1CCC(C2(C(O)=O)CC=CC2)CC1
|
|
| MCULE-6699414453 |
0.61 |
CC1(CCCC1)CC1(C(O)=O)CC=CC1
|
|
| MCULE-8500547238 |
0.61 |
CC1CC(C2(C(O)=O)CC=CC2)CCC1
|
|
| MCULE-2817082882 |
0.61 |
C1C[C@]2(C)[C@@]([H])(CC/C(/C)=C/CO)C(=C)CC[C@@]2([H])[C@@](C)(C(O)=O)C1
|
|
| MCULE-9513706661 |
0.61 |
C1CC2(C(CCC(C2CC/C(=C\CO)/C)=C)C(C1)(C(=O)O)C)C
|
|
| MCULE-8966822686 |
0.61 |
OC(C=CC(C1C2CCC(CC2)C1)=O)=O
|
|
| MCULE-3699449483 |
0.61 |
OC(C1(C2CCC2)CC=CC1)=O
|
|
| MCULE-2795374734 |
0.61 |
OC(C1(C2CCCC2)CC=CC1)=O
|
|
| MCULE-1597987834 |
0.61 |
CC(C(C1CCCC1)=O)=CC(O)=O
|
|
| MCULE-9482226349 |
0.61 |
C12=CC[C@]3([C@@](C)(CC[C@@]4([H])C([C@@H](O)[C@H](O)C[C@]34C)(C)C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@@](C)(O)[C@@]21[H])C(O)=O)[H]
|
|
| MCULE-9310117393 |
0.61 |
C1CC2(C)C3CCC(C)(C=C)C=C3C(O)CC2C(C(=O)O)(C)C1
|
|
| MCULE-5689703166 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](C)(CO)[C@@H]1O
|
|
| MCULE-1404184811 |
0.61 |
C1CC2(C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(CO)(C)C1O)C
|
|
| MCULE-3751237146 |
0.61 |
C[C@H]1[C@](O)(C)[C@@H]2[C@@](C(=O)O)(CC[C@]3([C@@]4(C)[C@@H]([C@@]5([C@@H](CC4)[C@@](CO)(C)[C@@H](O)CC5)C)CC=C32)C)CC1
|
|
| MCULE-4704690733 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
|
|
| MCULE-3986896794 |
0.61 |
CC1([C@@H](O)[C@H](O)C[C@@]2(C)[C@H]1CC[C@]1([C@@]3(C)C([C@@H]4[C@@](O)(C)[C@H](C)CC[C@]4(C(=O)O)CC3)=CC[C@@H]12)C)C
|
|
| MCULE-8942317491 |
0.61 |
[C@@H]1(O)C[C@@]2([C@@]3([H])CC=C4[C@@]5([H])[C@](CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C([C@H]1O)(C)C)(C(=O)O)CCC(C)(C)[C@H]5O)C
|
|
| MCULE-8918435387 |
0.61 |
C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(O)=O)=O
|
|
| MCULE-2527441036 |
0.61 |
C1(O)C(=O)C(=O)C(C(=O)C=1O)=O
|
|
| MCULE-4152381077 |
0.61 |
C1(OCC)=CCCCC1=O
|
|
| MCULE-8822838184 |
0.61 |
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-6332676455 |
0.61 |
CC(C1C(C(C2OCCCC=2)=O)C1)(C)C
|
|
| MCULE-9006451734 |
0.61 |
[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-9352251517 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(CO)=O)[H]
|
|
| MCULE-8958095760 |
0.61 |
CC(C(C1OCCCC=1)=O)C1CCC1
|
|
| MCULE-9803186551 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(C)=O)[H]
|
|
| MCULE-8597054153 |
0.61 |
O=C(C1OCCCC=1)C1C(C2CC2)C1
|
|
| MCULE-2339507429 |
0.61 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(CO)=O
|
|
| MCULE-1800361961 |
0.61 |
CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](O)C(=O)C=12)O)C
|
|
| MCULE-2944100707 |
0.61 |
CC1([C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](O)C(=O)C=12)O)C
|
|
| MCULE-1844011893 |
0.61 |
O=C(C1OCCCC=1)C1C2(CC2)C1
|
|
| MCULE-3793958264 |
0.61 |
O=C(C1OCCCC=1)C1CC2(CCC2)C1
|
|
| MCULE-7783529046 |
0.61 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(C)=O
|
|
| MolPort-002-529-788 |
0.61 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)C2C1)[C@@]1(C)CCC(O)C(C)(C)C1CC4
|
|
| MolPort-000-725-665 |
0.61 |
CC1CC(C)=C(C)CC1C=O
|
|
| MolPort-002-911-107 |
0.61 |
CC12CCC3C(CCC4=CCCCC34)C1CCC2=O
|
|
| MolPort-002-512-003 |
0.61 |
C[C@H]1CC(C)=C(C)C[C@H]1C=O
|
|
| MolPort-027-637-299 |
0.61 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C=O
|
|
| MolPort-046-762-299 |
0.61 |
C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4CC=CC[C@]34C)[C@H]1CCC2=O
|
|
| MolPort-039-339-171 |
0.61 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@@]2(C)[C@@H]3C[C@](C)(CO)CC[C@]3(C)CC[C@]12C
|
|
| MolPort-046-596-343 |
0.61 |
C[C@]12CCC3C(CC[C@H]4CC=CC[C@]34C)C1CCC2=O
|
|
| MolPort-019-922-772 |
0.61 |
CC1=C(C)CC(CC1)C=O
|
|
| MolPort-003-721-207 |
0.61 |
CC(=O)CCC1=C(C)CCCC1(C)C
|
|
| MolPort-002-509-792 |
0.61 |
C[C@]12CCC3[C@@H](CC[C@H]4CC=CC[C@]34C)C1CCC2=O
|
|
| MolPort-046-764-451 |
0.61 |
[2H]C([2H])([2H])C([2H])([2H])[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-007-980-904 |
0.61 |
CC(=C)C1CCC2(CC[C@]3(C)C(CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C12)C=O
|
|
| MolPort-002-911-100 |
0.61 |
CC12CCC3C(CCC4=CCCCC34)C1CCC2O
|
|
| MolPort-044-637-544 |
0.61 |
C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)C5CC[C@@]34C)[C@@H]2[C@H]1C
|
|
| MolPort-005-932-642 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-039-052-639 |
0.61 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-046-690-337 |
0.61 |
C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-560-310 |
0.61 |
CC1=CCC(CC1)C=O
|
|
| MolPort-002-527-314 |
0.61 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC4
|
|
| MolPort-001-793-612 |
0.61 |
CC1=C(C)CC(C)(CC1)C=O
|
|
| MolPort-000-740-021 |
0.61 |
CC1CC(C)=CCC1C=O
|
|
| MolPort-020-007-892 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4CC=CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-046-153-745 |
0.61 |
C[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(=C)C=O
|
|
| MolPort-039-338-436 |
0.61 |
C[C@@]12C(=O)C(=O)C(O)=C1C=C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
|
|
| MolPort-001-742-271 |
0.61 |
C\C(CC[C@H]1[C@](C)(O)CCC2[C@]1(C)CCC[C@]2(C)C(O)=O)=C\CO
|
|
| MolPort-002-915-936 |
0.61 |
CC1=CC(=O)C(CCCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O
|
|
| MolPort-039-052-462 |
0.61 |
C\C(CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(O)=O)=C/CO
|
|
| MolPort-009-018-862 |
0.61 |
CCCCCC\C=C\C=C/CCCCCCCC(O)=O
|
|
| MolPort-046-762-101 |
0.61 |
[Fe++].C1CC=C[CH-]1.OC(=O)CC1C[CH-]C=C1
|
|
| MolPort-046-689-149 |
0.61 |
CCCCC\C=C\C=C\CCCCCCCCC(O)=O
|
|
| MolPort-002-915-935 |
0.61 |
CC1=CC(=O)C(CCCCCC2=CC(=O)C(C)=CC2=O)=CC1=O
|
|
| MolPort-006-169-924 |
0.61 |
CCCCC\C=C/C=C/CCCCCCCCC(O)=O
|
|
| MolPort-002-915-848 |
0.61 |
O=C1C=CC(=O)C(CCCCCCC2=CC(=O)C=CC2=O)=C1
|
|
| MolPort-009-018-846 |
0.61 |
CCCCC\C=C/C=C\CCCCCCCCC(O)=O
|
|
| MolPort-044-183-055 |
0.61 |
[NaH].CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC([O-])=O
|
|
| MolPort-005-945-090 |
0.61 |
C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C\CO
|
|
| MolPort-039-052-505 |
0.61 |
C\C(CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C)=C/C(O)=O
|
|
| MolPort-039-052-611 |
0.61 |
C[C@@H]1CC(=O)CC(C)(C)[C@@]1(O)\C=C\C(O)CO
|
|
| MolPort-028-599-904 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-005-945-884 |
0.61 |
CC1CCC2(CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1(C)O)C(O)=O
|
|
| MolPort-035-706-445 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-035-706-464 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-019-936-761 |
0.61 |
CC1(CCC2C(=C1)C(O)CC1C2(C)CCCC1(C)C(O)=O)C=C
|
|
| MolPort-005-944-940 |
0.61 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O
|
|
| MolPort-004-786-165 |
0.61 |
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](O)C=C1C[C@@H](O)CC[C@]31C
|
|
| MolPort-035-706-438 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-038-386-599 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-035-706-444 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5[C@H](O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-005-944-881 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5C(O)C[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-020-005-967 |
0.61 |
CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@@H]1O)C(O)=O
|
|
| MolPort-035-706-448 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C(O)=O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-039-338-384 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-004-786-162 |
0.61 |
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](O)C=C1C[C@@H](O)CC[C@]31C
|
|
| MolPort-001-740-583 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CCC4[C@@]5(C)C[C@@H](O)[C@@H](O)C(C)(C)C5CC[C@@]34C)C2[C@]1(C)O)C(O)=O
|
|
| MolPort-009-018-338 |
0.61 |
CCCC1(CCC1)[C@H](O)C\C=C\[C@H]1C(O)CC(=O)C1C\C=C/CCCC(O)=O
|
|
| MolPort-028-754-175 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
|
|
| MolPort-013-262-490 |
0.61 |
CC1CCC(Cl)=C(C1)C(O)=O
|
|
| MolPort-003-916-002 |
0.61 |
CCOC1=CCCCC1=O
|
|
| MolPort-046-762-479 |
0.61 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@@](C)(O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-000-826-425 |
0.61 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-690-071 |
0.61 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@](C)(O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-007-980-861 |
0.61 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(=O)CO
|
|
| MolPort-001-827-091 |
0.61 |
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-790-364 |
0.61 |
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
|
|
| MolPort-046-596-240 |
0.61 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(=O)CO
|
|
| MolPort-003-892-477 |
0.61 |
CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-002-507-153 |
0.61 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-529-504 |
0.61 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(=O)CO
|
|
| MolPort-000-157-846 |
0.60 |
O=CC1CC2CC1C=C2
|
|
| MolPort-022-366-754 |
0.60 |
CCC\C(=C\CC)C(O)=O
|
|
| MolPort-042-676-343 |
0.60 |
O=CC1CC2CC1C=C2
|
|
| MolPort-035-765-998 |
0.60 |
O=CC1C[C@@H]2C[C@H]1C=C2
|
|
| MolPort-044-755-206 |
0.60 |
C[C@]12CC[C@H]3[C@@H](C=C[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-005-909-357 |
0.60 |
CC(C)=CCCC1=CCC(C)(CC1)C=O
|
|
| MolPort-001-793-711 |
0.60 |
CC(=O)C1C[C@@H]2C[C@H]1C=C2
|
|
| MolPort-035-706-319 |
0.60 |
CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
|
|
| MolPort-002-507-754 |
0.60 |
CC(=O)C1CC2CC1C=C2
|
|
| MolPort-046-588-250 |
0.60 |
CCC\C(=C/CC)C(O)=O
|
|
| MolPort-000-829-390 |
0.60 |
CC1CC(CCC=C(C)C)=CCC1(C)C(C)=O
|
|
| MolPort-003-850-019 |
0.60 |
CCCC(=CCC)C(O)=O
|
|
| MolPort-000-724-948 |
0.60 |
CC1CC(CCC=C(C)C)=CCC1C=O
|
|
| MolPort-046-201-849 |
0.60 |
COC(=O)C1CCC=CCC1
|
|
| MolPort-046-790-470 |
0.60 |
C[C@H](C\C=C\C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
|
|
| MolPort-002-135-154 |
0.60 |
CC1C=CC(C)C(C1C(O)=O)C(O)=O
|
|
| MolPort-039-052-714 |
0.60 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C
|
|
| MolPort-039-338-961 |
0.60 |
C[C@H](CC(O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
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CC1=CC(=O)C(CCC2=CC(=O)C(C)=CC2=O)=CC1=O
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CCCC1=CC(=O)C(O)C1O
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C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)C(=O)CCC1(C)C
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CCCCCCCCCCCCC\C=C\CC(CC(O)=O)C(O)=O
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C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@@H](O)C4(C)C
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CC1C=CC[C@H]([C@H]1C(O)=O)C(O)=O
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CC1C=CCC(C1C(O)=O)C(O)=O
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COC(=O)[C@@]12CCC3=C(CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1CC(C)(C)CC2
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O=C1C=CC(=O)C(CCC2=CC(=O)C=CC2=O)=C1
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C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)[C@H](O)C(=O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
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[Na+].[Na+].OP([O-])([O-])=O.C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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O[C@@H]1CC(=CC(=O)[C@H]1O)C(O)=O
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CC(=O)OC(C)(C)[C@H]1CC=C(C)C(=O)C1
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CC1=CCC23CC1C(=O)C=C2CC(C)(C)CC3=O
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[Na+].[Na+].C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OP([O-])([O-])=O
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COC(=O)[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21
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C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(O)=O
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CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1C1C3C(=O)C(Cl)=CC1=O
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CC(C)C1=CCC2C(CCC3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1
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CC\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)OC
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CC(C)C1=CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1
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[2H]C([2H])([13C]#[15N])[C@]1(O)C([2H])([2H])C[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@]12C
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C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)CC#N
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CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC
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CCCCCC\C=C/CCCCCCCC(=O)OCC
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OC1=C(I)C(=O)CCC1
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CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)OC
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CC1CCC(=C(C)C)C(=O)C1
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CCCCC\C=C\C\C=C\CCCCCCCCCC(=O)OC
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CC\C=C\C\C=C\C\C=C\CCCCCCCCCC(=O)OC
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CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OC
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CC\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(=O)OC
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CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)OC
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CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC
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CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC
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OC(=O)CCCCCCCCCCCCC=C
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CC(=C)CCCCCCC(O)=O
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CC(=C)CCCCCC(O)=O
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CC(=O)\C=C\C1CCCCC1
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CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=O)OC
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CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C
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C[C@@H]1CCC(=C(C)C)C(=O)C1
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CCCCCCCCC(=O)\C=C\C=C\C(=O)CCCC(O)=O
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[C@]12(C)CCC3[C@@]([H])(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCCC(C)C
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CC(C=C(CC1CCCC1)C)=O
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[C@]12(C)CCC3=C4CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(O)CC#N
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C1(/CC[C@@](CC/1=O)([H])C)=C(\C)/C
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C=C(C)CCCCC(=O)O
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CC(C=CC1CCCCC1)=O
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[C@]12(C)CCC[C@@](C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
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C=C(CCCCCC(=O)O)C
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[C@]12([H])C(=O)C=C3[C@]4([H])C[C@@](CC[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@H](CC[C@]21C)OC(=O)CCC([O-])=O)C)(C)C([O-])=O
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C1=CC2C3C(C)([H])C4C(=O)C=CC(=O)C4C(C)([H])C=3C1C2
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CC1([C@H](CC[C@@]2([C@]3(C(=O)C=C4[C@@](C)(CC[C@]5(C)[C@@]4([H])C[C@@](C)(C(=O)[O-])CC5)[C@]3(C)CC[C@@]12[H])[H])C)OC(=O)CCC(=O)[O-])C
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C(CC(=O)OCC)CCCCC/C=C\CCCCCCCC
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C123CC=C(C)C(C1)C(C=C2CC(CC3=O)(C)C)=O
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OC1CCCC(=O)C=1F
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OC1CCCC(=O)C=1I
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C(CCC(=O)OCC)CCCCCCCCC=CCCCCCCCC
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C1C(C(=O)O)C(C(=O)O)=C(C)C1
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C12(CC(C)(C)CC(C)(CC3CC(C)(C)CC(=O)C1=3)C2)C#N
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C(CCCCCCCC=C)(O)=O
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C(CC(=O)OCC)CCCCCC=CCCCCCCCC
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C1(/CC[C@@](CC/1=O)([H])C)=C(\C)/C
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C12(C)CCCC(C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
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C(CCCCCCC(=O)O)C(=O)CCCCCCCCC=C
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CCCCCCCCC(C(/C=C\C(O)CCCCC(O)=O)O)O
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CC(=O)[C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)C=C3)[H])([H])CC1
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C(CCCCCCCCC(CCCCCC(O)=O)=O)=C
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O=C(CCCCC(O)=O)CCCCCCCCC=C
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C(CCCCCCCCCC=CCC=CCCCCC)(=O)OC
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CC(C=CC1C2CC3CC(C2)CC1C3)=O
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C=CCCCCCC(=O)O
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[C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CSC(C)(C)C
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0.60 |
O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(COC(C)=O)=O)C=O
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C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O
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|
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[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(OC(C)=O)C(=O)COC(C)=O)[H]
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O1C(C)(C)CCCC1(C)C(=O)C=CCC
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[C@]12(O)CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C=C2C
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C1CCC(C(OC)=O)=C(C(OC)=O)CC1
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C1([O-])C(=O)C(C(=O)C(=O)C=1[O-])=O.[K+].[K+]
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CC1(C(C(C2CCCCC=2)=O)CCO1)C
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C12(O)C(O)C(C)(C)CC31C(C)CCC3C(C(=O)O)=C2
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C12C3C4CCCC4C1C(COC(C)=O)C1C4CCC5C(=O)C3C(C4=5)C21
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C12C/C(=C(/C)\C)/C(=O)C=C(C)C1(O)CCC2(C)O
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| MCULE-7779670921 |
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C1(=O)C([O-])=C([O-])C(=O)C(=O)C1=O.[Na+].[Na+]
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C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O
|
|
| MCULE-8839185629 |
0.60 |
N#C[C@H]1[C@H](C(=O)C)[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(C[C@H](CC2)O)=CC3)[H])([H])C1
|
|
| MCULE-6950544067 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCC(OC)=O)[H]
|
|
| MCULE-1401500807 |
0.60 |
O=C1C(CC2CC=CCC2)COCC1
|
|
| MCULE-2655341532 |
0.60 |
C1CC2(C3CC=C4C5C(O)(C)C(C)CCC5(C(O)=O)CCC4(C)C3(C)CCC2C(C1O)(C(O)=O)C)C
|
|
| MCULE-3539513004 |
0.60 |
C1(C(O)=O)=CC(C(O)C1(C)C)(C)C
|
|
| MCULE-7920901589 |
0.60 |
C1C(C(=O)OC)(C)CC(C)=C(C)C1
|
|
| MCULE-9540409196 |
0.60 |
C1C[C@@]2(C3CC=C4C5[C@@](O)(C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2[C@]([C@H]1O)(C(O)=O)C)C
|
|
| MCULE-8805854090 |
0.60 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CCC2C(C)CCC(OC)=O
|
|
| MCULE-7240141445 |
0.60 |
[C@@]12([H])CC[C@H]([C@H](C)CCC(=O)OC)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H]
|
|
| MCULE-5362337107 |
0.60 |
C12(C)C(C(C)CCC(O)=O)CCC1C1C(CC2O)C2(C)CCC(CC2=CC1O)O
|
|
| MCULE-7803183347 |
0.60 |
O[C@@H]1[C@](CO)(C)C2[C@](C3CC=C4[C@]5([H])[C@H](O)C(C)(C)CC[C@]5(C(O)=O)CC[C@]4([C@]3(C)CC2)C)(C)C[C@H]1O
|
|
| MCULE-3259874247 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](CO)(C)[C@H]1O
|
|
| MCULE-6949149768 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])[C@@](O)(C)[C@H](C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]2([H])[C@@](C=O)(C)[C@H]1O
|
|
| MCULE-2247897001 |
0.60 |
COC(C1C2(C)C(C3C(CC2)C2(C)C(CC(CC2)O)=CC3)CC1)=O
|
|
| MCULE-6215568256 |
0.60 |
[C@@H]1(O)C[C@@]2(C3CC=C4C5[C@@](O)(C)[C@H](C)CC[C@]5(C(O)=O)CC[C@@]4(C)[C@]3(C)CCC2[C@@]([C@H]1O)(CO)C)C
|
|
| MCULE-2640054094 |
0.60 |
O=C1CC(O)C(C)=C1CC=C
|
|
| MCULE-7832981899 |
0.60 |
C(OC)(=O)C1CCC(=CC1)C
|
|
| MCULE-2479536906 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(OC)=O)[H]
|
|
| MCULE-2836304314 |
0.60 |
[C@]12(C)C=CC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
|
|
| MCULE-2261620363 |
0.60 |
OC(C=CC(C1C2CC(CC2)C1)=O)=O
|
|
| MCULE-6649773698 |
0.60 |
C1CC2(C(CCC(C2CC/C(=C\CO)/CO)=C)C(C(O)=O)(C)C1)C
|
|
| MCULE-7782959791 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)C=CC34C)C1C[C@@H](C)[C@]2(C)C(C)=O
|
|
| MCULE-1494936871 |
0.60 |
OC(C=C1C(=O)CCC(C2CCC2)C1)=O
|
|
| MCULE-6158471262 |
0.60 |
OC(C=C1C(=O)CCC2(CCCC2)C1)=O
|
|
| MCULE-1763238130 |
0.60 |
OC(C=C1C(=O)C2(CCCC2)CCC1)=O
|
|
| MCULE-9625917775 |
0.60 |
C1(CCCC2=CC(C=CC2=O)=O)=CC(C(C)=CC1=O)=O
|
|
| MCULE-5844706578 |
0.60 |
C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@@](C(O)=O)(C)C1
|
|
| MCULE-4240902847 |
0.60 |
C1(=CC2CCCCC2)C(=O)C(=CC2CCCCC2)CC1
|
|
| MCULE-1518212379 |
0.60 |
NC1CC(C(C2CCCCCCC=2)=O)C1
|
|
| MCULE-3980671232 |
0.60 |
C12(C)CCC3C(CCC4=CC(=O)C=CC34C)C1CC(C)C2(C)C(C)=O
|
|
| MCULE-6548574191 |
0.60 |
OC(C=C1C(=O)CCC2(CC2)C1)=O
|
|
| MCULE-9344488087 |
0.60 |
C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
|
|
| MCULE-3556948980 |
0.60 |
C1C[C@]2(C)[C@@]([H])(C/C=C(\C)/C=C)C(=C)CC[C@@]2([H])[C@](C(O)=O)(C)C1
|
|
| MCULE-6347475200 |
0.60 |
C(CCCCCC)(C1C=CCCC1)O
|
|
| MCULE-3206249578 |
0.60 |
C1CC(CCC=1C)C(C)(CC/C=C(\C)/C)O
|
|
| MCULE-6927409255 |
0.60 |
C12CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]3(C)C=1CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CC/C=C(/C)\C
|
|
| MCULE-7846055076 |
0.60 |
C1C[C@@]([H])(CCC=1C)[C@@](C)(CC/C=C(/C)\C)O
|
|
| MCULE-9798755896 |
0.60 |
C1CC(CCC=1C)C(C)(C)O
|
|
| MCULE-6240066964 |
0.60 |
C1C(C)=CC[C@H](C(O)(C)C)C1
|
|
| MCULE-9808647935 |
0.60 |
[H]C12C(C)(CCC(O)C1)C1(CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C1=CC2)[H]
|
|
| MCULE-9520777832 |
0.60 |
C(O)(=O)C1CCC(CC1)=C
|
|
| MCULE-7682763192 |
0.60 |
[C@@]12(C)CC[C@@]3(CO)CC[C@@H](C)[C@H](C)[C@@]3([H])C1=CC[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@]12C
|
|
| MCULE-6577726631 |
0.60 |
CC1([C@@]2([H])[C@](C3CC[C@@]4(C)[C@@](C)(CC[C@@H]4[C@@H](CCCC(C)C)C)C=3CC2)(C)CC[C@@H]1O)C
|
|
| MCULE-5354591097 |
0.60 |
C1=C(C)CC[C@@H](C(C)C)C(=O)CC(=C)CC1
|
|
| MCULE-7389041577 |
0.60 |
CC1=C(CC=O)C(C)(C)CCC1
|
|
| MCULE-8948864854 |
0.60 |
C(O)(C)(C)[C@H]1CC=C(C)CC1
|
|
| MCULE-9083020972 |
0.60 |
C1C[C@@]2(C)CC[C@@H](C(O)(C)C)CC2=C(C)C1
|
|
| MCULE-3259621922 |
0.60 |
C(O)(CC1CCCC(=C)C1)=O
|
|
| MCULE-4540266032 |
0.60 |
C(O)(=O)CC1CCCC1C=C
|
|
| MCULE-6692951185 |
0.60 |
[C@@]12(C)CC[C@H]([C@H](C)CC/C=C(/C)\C)[C@@]1(C)CCC1[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)O)CCC2=1)C
|
|
| MCULE-8414811975 |
0.60 |
CC(C)([C@H]1CCC(C)=CC1)O
|
|
| MCULE-5371316798 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC[C@@]2([H])C[C@H]1O
|
|
| MCULE-9666470335 |
0.60 |
O[C@@]1(CC=C)CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
|
|
| MCULE-9174314602 |
0.60 |
C1C[C@H](CCC=1C)[C@](C)(CC/C=C(\C)/C)O
|
|
| MCULE-7044206712 |
0.60 |
C1(C(O)C)C(C)=CCCC1
|
|
| MCULE-5127489047 |
0.60 |
C12=CC[C@@]3([C@](C)(CC[C@H](O)[C@H]3C)C1CC[C@]1(C)[C@H](CCC12)[C@H](C)CCC(C(C)C)=CC)[H]
|
|
| MCULE-8719465843 |
0.60 |
C12(C)CCC([H])(C(C)CC/C=C(\C)/C)C1(C)CCC1C3(C([H])(C(C)(C)C(CC3)O)CCC2=1)C
|
|
| MCULE-2325358551 |
0.60 |
C1(C(CC)=O)C(C)=CCC(C(C)C)C1
|
|
| MCULE-5010058438 |
0.60 |
[H]C12CCCC=C1CCC1C3CCC(CC=C)(O)C3(C)CCC21
|
|
| MCULE-3918504016 |
0.60 |
[C@@]12([H])CC[C@@](O)(CC=C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
|
|
| MCULE-5494176046 |
0.60 |
O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)CC4=CC[C@H]5C(C)(C)[C@@H](CC[C@]5(C)[C@H]4CC[C@H]23)O)C1(C)C
|
|
| MCULE-6020208251 |
0.60 |
O[C@@H]1C(C)(C)[C@@]2([H])[C@](C3CC[C@]4(C)[C@@](CC[C@H]4[C@H](C)CC/C=C(/C)\C)(C)C=3CC2)(C)CC1
|
|
| MCULE-1620592725 |
0.60 |
C12=CCC3(C(C)(CCC4([H])C(C(O)CCC34C)(C)C)C1(C)CCC1(CO)CCC(C)C(C)C21[H])[H]
|
|
| MCULE-7281525757 |
0.60 |
C1(C)(C)C(CCC1=C)CC(O)=O
|
|
| MCULE-4098753787 |
0.60 |
C12C(=O)CCC(C(=C)CCC1C(C)(C)C2)O
|
|
| MCULE-7490068037 |
0.60 |
C1(=C)C2CCCC1CC(C(O)=O)C2
|
|
| MCULE-6184897823 |
0.60 |
C(O)(C)(C)[C@@H]1CC=C(C)CC1
|
|
| MCULE-6049121935 |
0.60 |
[H]C12C(C)(CCC(O)C1)C1(CCC3(C)C(C(C)CCC(C)C(C)C)CCC3C1=CC2)[H]
|
|
| MCULE-4541255966 |
0.60 |
C(=CC(C)=O)C1C(C)CC(=CC1C)C
|
|
| MCULE-2778793698 |
0.60 |
C12(C)CCC(C(C)CC/C=C(\C)/C)C1(C)CCC1C3C(C(C)(C)C(CC3)O)CCC2=1
|
|
| MCULE-6769530046 |
0.60 |
C(C1CC=C(CC1C)C)=CC(C)=O
|
|
| MCULE-5421418726 |
0.60 |
C1CC2CCCC=C2C(C)(C)C1=O
|
|
| MCULE-4051240768 |
0.60 |
C12C3CCC(=O)C3(C)CCC=1C1C(C)(CC2)CC(=O)CC1
|
|
| MCULE-9111462538 |
0.60 |
O=C1C(C)(C)C2=CCCCC2(C)CC1
|
|
| MCULE-9427917092 |
0.60 |
C1(CCC=C(C)C)CC(C)C(CC=1)C=O
|
|
| MCULE-7230877379 |
0.60 |
O=C1CCC(C2CC=CCC21)=O
|
|
| MCULE-4900399116 |
0.60 |
C1CC2C(=O)C3CC=CCC3C(=O)C2CC=1
|
|
| MCULE-6601187734 |
0.60 |
C1CC23CCC(=O)C2(CCCC3)CC=1
|
|
| MCULE-5160344949 |
0.60 |
O=C1C2C3C=CC(C3)C2C2C1C1CC2C=C1
|
|
| MCULE-4453341269 |
0.60 |
O=C1C2CC(C)=C(C)CC2C(C2CC(C)=C(C)CC21)=O
|
|
| MCULE-1944708514 |
0.60 |
C12CC(C=C1)CC2C(C)=O
|
|
| MCULE-2126006986 |
0.60 |
C1(C)(C(C)=O)CC=C(CC1C)CC/C=C(\C)/C
|
|
| MCULE-8275719671 |
0.60 |
C1CC(C)(CCC=1CC/C=C(\C)/C)C=O
|
|
| MCULE-3020807810 |
0.60 |
C1=CC2CC1C(C2)C=O
|
|
| MCULE-8429170945 |
0.60 |
C1C(CC(O)=O)C(C=C)CC=1
|
|
| MCULE-8302753934 |
0.60 |
C1(=CC(C=CC1=O)=O)CCC1=CC(C=CC1=O)=O
|
|
| MCULE-5258251736 |
0.60 |
C(O)(=O)C(CC=CCCCCCCCCCCCCC)CC(O)=O
|
|
| MCULE-3333105421 |
0.60 |
OC(C(C=CC1C2CCC(CC2)C1)=O)=O
|
|
| MCULE-1243088880 |
0.60 |
C1=CC(C)C(C(=O)O)C(C(=O)O)C1
|
|
| MCULE-4203969651 |
0.60 |
C1(=CC(C(C)=CC1=O)=O)CCC1=CC(C(C)=CC1=O)=O
|
|
| MCULE-2964563648 |
0.60 |
C1(C(C)C=CC(C)C1C(O)=O)C(O)=O
|
|
| MCULE-2217416730 |
0.60 |
C1C(C)C(C(O)=O)(C)C(C(O)=O)CC=1
|
|
| MCULE-2841725041 |
0.60 |
O=C(C1C2C1COC2)CC1CC=CCC1
|
|
| MCULE-6809736977 |
0.60 |
COC(C1C2C=CC(CC2)C1)=O
|
|
| MCULE-7100298727 |
0.60 |
COC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-1671554697 |
0.60 |
C1(C(O)C(O)C(=C1)CCC)=O
|
|
| MCULE-5302779679 |
0.60 |
CC1OCC(C(CC2CC=CCC2)=O)C1
|
|
| MCULE-9777116319 |
0.60 |
C1CC2(C(CCCC2)(CC=1)C(OC)=O)CCC(OC)=O
|
|
| MCULE-3633249572 |
0.60 |
C1CC23CC(C(OC)=O)C(=O)C2(CC=CC3)CC=1
|
|
| MCULE-9612148440 |
0.60 |
O=C1C(CC2CC=CCC2)COC1
|
|
| MCULE-7641008425 |
0.60 |
CC1C(CC2CC=CCC2)C(=O)CO1
|
|
| MCULE-7840184850 |
0.60 |
CC1C(C(CC2CC=CCC2)=O)CCO1
|
|
| MCULE-4584306367 |
0.60 |
O=C1CC(C)(C)CC(OCC)=C1
|
|
| MCULE-4795427452 |
0.60 |
C(C1CC=C(C)C(=O)C1)(C)(C)OC(=O)C
|
|
| MCULE-7247024759 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O
|
|
| MCULE-4261762276 |
0.60 |
OC(C1C2CC(CC2)CC=1Cl)=O
|
|
| MCULE-4012121864 |
0.60 |
[C@@H]1(CC=C(C)C(=O)C1)C(C)(C)OC(=O)C
|
|
| MCULE-5893556382 |
0.60 |
C1(C(CCCC=1O)=O)C(CC(OC)=O)C1C(CCCC=1O)=O
|
|
| MCULE-4408401941 |
0.60 |
CCC1C(=CC(C)=O)CCCCC1
|
|
| MCULE-7928135942 |
0.60 |
C(CCCCCCCCC=C)(O)=O
|
|
| MCULE-4406036090 |
0.60 |
O=C1CCC2C(=C1)C=CC1(C)C2CC=CC1
|
|
| MCULE-9308723337 |
0.60 |
CC(C1C(=CC(C)=O)CCCCC1)C
|
|
| MCULE-4919875478 |
0.60 |
CC1C(=CC(C)=O)CCCCC1
|
|
| MCULE-7186760793 |
0.60 |
C1C[C@]2(C)[C@@H](/C=C/C(=O)C)[C@](C)(O)[C@@H](O)[C@H](O)C2C(C)(C)C1
|
|
| MCULE-3637909258 |
0.60 |
C1(C(CCCCC(OC)=O)=O)C(CCCC=1N)=O
|
|
| MCULE-2846121944 |
0.60 |
O=C(C1OCCC=1)C1C2(CC2)C1
|
|
| MCULE-8457539977 |
0.60 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C=3CCC2(C1)[H])OC(C)=O)=O
|
|
| MCULE-4067407974 |
0.60 |
C/C(/C)=C/C(C1C(C(C)(C)C)C1)=O
|
|
| MCULE-3991713113 |
0.60 |
O=C1C=C2[C@@]([C@]3([C@](C=C2)([H])[C@@]2([H])[C@]([C@H](CC2)C(=O)C)(C)CC3)[H])(C)CC1
|
|
| MCULE-2469940549 |
0.60 |
CC(C1C(C(C2OCCC=2)=O)C1)(C)C
|
|
| MCULE-8747875851 |
0.60 |
[C@]12([H])CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])C=CC1=CC(=O)CC[C@]21C)C(=O)C
|
|
| MCULE-1713115618 |
0.60 |
C1=CC2C3C=CC3C1C=C2C(=O)O
|
|
| MCULE-3753766880 |
0.60 |
C(CCCCCCCC=CCC=CCC=CCC)(OC)=O
|
|
| MCULE-2524148130 |
0.60 |
C(CCCC(=O)OC)CCCCCC=CCC=CCC=CCC
|
|
| MCULE-6551845413 |
0.60 |
C1(=O)C=C2C(CC1)=C1[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](CC#N)(O)CC3)CC2
|
|
| MCULE-9207728452 |
0.60 |
CC1(C2CCC3(C4(C)C(C5C(CC4)(C)CCC(C(=O)O)(C)C5)=CC(=O)C3C2(C)CCC1OC(CCC(=O)O)=O)C)C
|
|
| MCULE-9145625609 |
0.60 |
C1(C(=O)OC)C(C)CC(O)=C(C)C1=O
|
|
| MCULE-6686022329 |
0.60 |
C1(CCCCCCC(=O)OC)=C[C@@H](O)CC1=O
|
|
| MCULE-1403801057 |
0.60 |
C(CCCCCC(=O)O)CCCCCCC=C
|
|
| MCULE-8388945163 |
0.60 |
CC(C(C1OCCC=1)=O)C1CCC1
|
|
| MCULE-7642562558 |
0.60 |
C1(=O)C=C2[C@@](C)(CC1)[C@@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)C)CC3)C=C2
|
|
| MCULE-7382104000 |
0.60 |
CC(C(/C=C(\C)/C)=O)C1CCC1
|
|
| MCULE-4399438587 |
0.60 |
CCCCCC=CCC=CCCCCCCCC(=O)OC
|
|
| MCULE-8304268118 |
0.60 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(O)=O)=O)C)=O
|
|
| MCULE-5535106408 |
0.60 |
C1=C[C@]2(C)[C@@]3(O)CC[C@](C)(C=C)C=C3C(=O)C(O)=C2[C@](C)(CO)C1
|
|
| MCULE-5539918199 |
0.60 |
O=C1CCC2(C)C(=C1)C=CC1C3CCC(C(C)C=CC(C)C(C)C)C3(C)CCC12[H]
|
|
| MCULE-1089286417 |
0.60 |
C(/CCCCCCCC(OC)=O)=C/C/C=C\CCCCC
|
|
| MCULE-7311518942 |
0.60 |
CC=CC(CC1C2CCC(CC2)C1)=O
|
|
| MCULE-9968239395 |
0.60 |
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC
|
|
| MCULE-8997101380 |
0.60 |
CC(C=C(CC1CCCCC1)C)=O
|
|
