| MCULE-3616070284 |
0.76 |
C1(=O)OC2CCCCC=2CC1
|
|
| MolPort-002-799-603 |
0.74 |
CC(C)COC1=CC(C\C=C\CC2C=C(CCC2=O)OCC(C)C)C(=O)CC1
|
|
| MCULE-5178960687 |
0.74 |
C1C(CC=CCC2C(CCC(OCC(C)C)=C2)=O)C(CCC=1OCC(C)C)=O
|
|
| MCULE-5947848535 |
0.72 |
C12(C)CCC3C(CC=C4OC(=O)CCC34C)C1CCC2C(C)=O
|
|
| MolPort-002-516-029 |
0.72 |
CC(=O)C1CCC2C3CC=C4OC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-000-701-687 |
0.72 |
CC(=O)C1CCC2C3CC=C4OC(=O)CCC4(C)C3CCC12C
|
|
| MCULE-3171114249 |
0.69 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)CCC(OC)=O)CCC4C3C(=CC2(C1)[H])OC(C)=O)=O
|
|
| MCULE-4019548412 |
0.69 |
C1C(=O)C=C(OC(=O)C)CC1(C)C
|
|
| MCULE-5646290232 |
0.69 |
C1(=O)C[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@]2([H])C(C)=C1
|
|
| MolPort-039-338-227 |
0.69 |
CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C=C2OC1=O
|
|
| MolPort-046-765-478 |
0.67 |
COC(=O)[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33CCC(=O)O3)C12
|
|
| MolPort-046-418-888 |
0.67 |
CC(C)OC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-002-911-096 |
0.67 |
CC12CCC3C(C1CC[C@@]21CCC(=O)O1)[C@@H](CC1=CC(=O)CCC31C)C(=O)OC1CCCC1
|
|
| MCULE-5531778494 |
0.67 |
[C@@]12(CCC(=O)O1)CCC1C3[C@H](C(=O)OC4CCCC4)CC4=CC(CCC4(C)C3CCC21C)=O
|
|
| MCULE-1777552821 |
0.67 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4C[C@@H](C(=O)OC(C)C)[C@@]3([H])[C@]1([H])CC[C@]12CCC(=O)O1)C
|
|
| MCULE-2805436146 |
0.67 |
C12(C)C(CCC3C1CCC1(C3CCC1OC(C)=O)C)CC(C1(CCC3=C(CC4(C(C)(C5CCC6(C([H])(CCC6OC(C)=O)C5CC4)C)C3)[H])O1)C2)=O
|
|
| MCULE-8679821609 |
0.67 |
C1C(=O)C=C(OC(C)=O)CC1
|
|
| MolPort-039-052-556 |
0.66 |
COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4C(C)=C(OC)C(=O)[C@@H]([C@@]34C)[C@@]2(C)C1=O
|
|
| MolPort-035-705-935 |
0.66 |
COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@]23C
|
|
| MCULE-4325006445 |
0.66 |
[C@@H]1(O)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])CC(=O)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C1
|
|
| MCULE-8187072901 |
0.66 |
C1(OC)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])CC(=O)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C=1
|
|
| MCULE-5446385915 |
0.66 |
C(C)(=O)OC1CC2C(C=C3C4CC=C(C4(C)CC(C3C2(C)CC1)=O)C(C)=O)=O
|
|
| MCULE-8966594104 |
0.66 |
C1(=O)OC(C)=CC(=O)C1C(CCCCCCC)=O
|
|
| MCULE-7362214245 |
0.66 |
C1(=O)OC(C)=CC(=O)C1C(CCC)=O
|
|
| MolPort-046-647-036 |
0.66 |
O=C1CCCC2=C1CCCO2
|
|
| MolPort-003-180-416 |
0.66 |
CCCCCCCC(=O)C1C(=O)OC(C)=CC1=O
|
|
| MolPort-002-112-850 |
0.66 |
CCCC(=O)C1C(=O)OC(C)=CC1=O
|
|
| MolPort-044-649-707 |
0.65 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-019-937-545 |
0.65 |
CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2C(=O)C=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-044-649-591 |
0.65 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-046-765-550 |
0.65 |
C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@@H](CO)CC1=CC(=O)CC[C@]31C
|
|
| MCULE-1470831787 |
0.65 |
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-5501928946 |
0.65 |
C1(=O)CC2(C/C=C(\C)/CC(=O)/C=C(\C)/C)CC(=O)OC2CC1
|
|
| MCULE-3731139584 |
0.65 |
[C@@H]1(OC(=O)C)C(=O)[C@]2(C)[C@@]3([H])C(=O)C(OC)=C(C)[C@]4([H])CC(=O)O[C@@]([H])([C@]34C)C[C@@]2([H])[C@H](C)C1
|
|
| MCULE-6811310040 |
0.65 |
[C@]12(C)C(=O)CC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(C)=O)C1CC1OC(CCC(C)COC(C)=O)=C(C)C21
|
|
| MCULE-9315688246 |
0.65 |
C1CC23C4C=C(C)C5(C(C(=C(C5=O)C)O)(C4(CCC2C(C)(C1OC3=O)C)C)C(OC)=O)C
|
|
| MCULE-6532003197 |
0.65 |
C12C(=O)CC(CC=1OC1CC(C)(C)CC(=O)C=1C2C(C)=O)(C)C
|
|
| MCULE-2994787170 |
0.65 |
C12C(=O)CC(CC=1OCC2C1C(=O)CC(CC1=O)(C)C)(C)C
|
|
| MolPort-039-052-566 |
0.65 |
COC1=C(C)[C@@H]2CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](OC(C)=O)C(=O)[C@]4(C)[C@@H](C1=O)[C@]23C
|
|
| MolPort-002-512-331 |
0.65 |
CC(CCC1=C(C)C2C(CC3C4CC[C@H]5CC(CC[C@]5(C)C4CC(=O)[C@]23C)OC(C)=O)O1)COC(C)=O
|
|
| MolPort-001-739-910 |
0.65 |
COC(=O)C12C(O)=C(C)C(=O)C1(C)C(C)=CC1C2(C)CCC2C(C)(C)C3CCC12C(=O)O3
|
|
| MolPort-044-649-785 |
0.65 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-002-511-802 |
0.65 |
CC1(C)CC2=C(C(CO2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1
|
|
| MolPort-000-145-844 |
0.64 |
CC1(C)CC2=C(C3CCCCC3O2)C(=O)C1
|
|
| MolPort-028-754-170 |
0.64 |
CCC\C=C1/OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4([C@@H]21)\C(OC(=O)C4=C3)=C\CCC
|
|
| MolPort-046-594-392 |
0.64 |
CCCC=C1OC(=O)C2=C1CCC1C3CCC4(C21)C(OC(=O)C4=C3)=CCCC
|
|
| MolPort-002-145-630 |
0.64 |
COC(=O)C1CC2=CC(=O)CCC2(C)C2C(O)CC3(C)C(CCC33CCC(=O)O3)C12
|
|
| MolPort-023-278-910 |
0.64 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@H](O)C[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-006-135-511 |
0.64 |
CCCC(=O)OC1=C(C)CCC1=O
|
|
| MolPort-001-845-394 |
0.64 |
COC(=O)[C@@H]1CC2=CC(=O)CCC2(C)C2[C@H](O)CC3(C)C(CC[C@@]33CCC(=O)O3)C12
|
|
| MolPort-046-156-417 |
0.64 |
C[C@@]12C[C@@H](OC1=O)[C@]1(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1C2
|
|
| MolPort-000-718-038 |
0.64 |
CC(C)=CCCC1=CCC2C(C1)C(=O)OC2=O
|
|
| MolPort-035-706-364 |
0.64 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-039-338-282 |
0.64 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-046-765-479 |
0.64 |
C[C@]12CC=C3[C@H]([C@@H]1CC[C@@]21CCC(=O)O1)C(CC1=CC(=O)CC[C@]31C)C(O)=O
|
|
| MolPort-020-393-553 |
0.64 |
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12
|
|
| MolPort-002-145-709 |
0.64 |
COC(=O)C1CC2=CC(=O)CCC2(C)C2=CCC3(C)C(CCC33CCC(=O)O3)C12
|
|
| MCULE-3377687234 |
0.64 |
C12C3CCCCC3OC=1CC(C)(C)CC2=O
|
|
| MCULE-9300528643 |
0.64 |
[C@@]12([H])CCC3/C(=C/CCC)/OC(=O)C=3[C@]1([H])[C@@]13CC[C@]2([H])C=C1C(=O)O/C/3=C\CCC
|
|
| MCULE-4285095655 |
0.64 |
CCCC=C1OC(=O)C2C3C45C(=CCCC)OC(=O)C4=CC(CC5)C3CCC1=2
|
|
| MCULE-9737044961 |
0.64 |
O=C1C2=C[C@@]3([C@@]4(CCC5C(=CCCC)OC(=O)C=5[C@]4([H])[C@]2(CC3)C(=CCCC)O1)[H])[H]
|
|
| MCULE-3574561675 |
0.64 |
C1[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@]5(CCC(=O)O5)CC[C@@]4([H])[C@]3([H])[C@H](C(OC)=O)CC2=CC(=O)C1
|
|
| MCULE-6654966084 |
0.64 |
CCCC(=O)OC1C(=O)CCC=1C
|
|
| MCULE-8024539765 |
0.64 |
O=C(OC)[C@H]1[C@]2([H])[C@@]([C@@H](C[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)O)([H])[C@]2(C)C(=CC(=O)CC2)C1
|
|
| MCULE-6004210718 |
0.64 |
C12(C)CC(O)C3C(C(C(OC)=O)CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1
|
|
| MCULE-2662745028 |
0.64 |
C[C@@]12[C@H]3C(C=C4[C@@H]5C[C@@]6(C)C(=O)O[C@@H]([C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]1C(C)(C)[C@@H](O)CC2)C6)=O
|
|
| MCULE-3241551436 |
0.64 |
C1(=O)C(C)(C)CCC(OCC(C)C)=C1C
|
|
| MCULE-5816353779 |
0.64 |
O1C(=O)C2C(CC(=CC2)CC/C=C(\C)/C)C1=O
|
|
| MCULE-8015988212 |
0.64 |
C12C(C)(C)C(CC=C1OC(=O)C)C2
|
|
| MCULE-4814758018 |
0.64 |
[H]C1(CCC(=C(C)C1(C)C)OC(C)=O)C(N)=O
|
|
| MCULE-3334544373 |
0.64 |
C12=CCC3(C(CCC43CCC(=O)O4)C1C(CC1=CC(=O)CCC21C)C(OC)=O)C
|
|
| MCULE-4098552700 |
0.64 |
C1[C@@]2(C)C(C[C@@H](C(OC)=O)[C@]3([H])C2=CC[C@@]2(C)[C@@]3([H])CC[C@]32CCC(=O)O3)=CC(=O)C1
|
|
| MCULE-2555920424 |
0.64 |
O=C(OC)[C@H]1[C@]2([H])C(=CC[C@]3([C@@]2([H])CC[C@]23CCC(=O)O2)C)[C@]2(C)C(=CC(=O)CC2)C1
|
|
| MCULE-2603538836 |
0.64 |
C12C(C(=O)OC1=O)C1C=CC2C23CCCCC12C=C3
|
|
| MCULE-3146262991 |
0.64 |
C1=CC2C3C=C(C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-6074226479 |
0.64 |
C1=CC2C3C4CCCCC=4C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-6690425983 |
0.64 |
C1=CC2C3C(C)=C(C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-7226741017 |
0.64 |
C12(C3C=CC(C45C=CC34CC=CC5)C1([H])C(=O)OC2=O)[H]
|
|
| MCULE-8643661135 |
0.64 |
O=C1C2C3C4C=CC4C(C=C3)C2C(=O)O1
|
|
| MCULE-9208347604 |
0.64 |
C1(OC(=O)C)=CCCCCCCCCCC1
|
|
| MCULE-7640636779 |
0.64 |
[C@H]1(CCC)[C@]2(C3CCC=CC=3C(=O)O2)[C@@]23CC[C@]1([H])C=C2C(=O)O/C/3=C\CCC
|
|
| MolPort-038-386-495 |
0.64 |
CC\C=C/CC1C(=O)C=CC1(O)CCCCC1CCC(=O)O1
|
|
| MolPort-039-339-157 |
0.64 |
CCC\C=C1/OC(=O)C2=C[C@H]3CC[C@@]12[C@]1(OC(=O)C2=C1CCC=C2)[C@@H]3CCC
|
|
| MolPort-001-739-300 |
0.64 |
COC(=O)[C@]12C(O)=C(C)C(=O)[C@@]1(C)C(C)=CC1[C@@]34CC[C@@H](OC(C)=O)C(C)(C)C3C(C[C@@]21C)OC4=O
|
|
| MolPort-038-386-650 |
0.64 |
CC1=C2CC3C(CO)=CCCC3(C)C=C2OC1=O
|
|
| MolPort-035-706-363 |
0.64 |
CC(C)=CCC[C@@H]1[C@@H]2[C@H](C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)OC1=O
|
|
| MolPort-000-700-004 |
0.63 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-046-598-022 |
0.63 |
CC(C)CCCC(C)C1CC[C@H]2C3CC[C@H]4CC(OC(C)=O)=CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-507-126 |
0.63 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-002-508-422 |
0.63 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(OC(C)=O)=CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-027-835-047 |
0.63 |
CC(=O)OC1=CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-510-452 |
0.63 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-001-742-421 |
0.63 |
C[C@H]1C[C@H]2OC(=O)C(=C)[C@H]2CC2=C(C)C(=O)C[C@@H]12
|
|
| MolPort-006-110-368 |
0.63 |
CCC(=O)OC1=C(C)CCC1=O
|
|
| MolPort-038-386-576 |
0.63 |
CC1=C2CC3C(=C)CCCC3(C)C=C2OC1=O
|
|
| MolPort-020-005-662 |
0.63 |
CC1=C2C[C@H]3C(=C)CCC[C@]3(C)C=C2OC1=O
|
|
| MCULE-8066530948 |
0.63 |
C12C(=O)CC(CC=1OC1CC(C)(C)CC(=O)C=1C2C(O)=O)(C)C
|
|
| MCULE-9090816401 |
0.63 |
C12C(CCCC=1OC1=C(C(CCC1)=O)C2C(O)=O)=O
|
|
| MCULE-6534243824 |
0.63 |
C1=CC2C3C=C(C(=O)OC)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-8611483550 |
0.63 |
C(C)(=O)OC1C(C)(C2CCC3(C)C(C(C)CCCC(C)C)CCC3C2CC=1)[H]
|
|
| MCULE-9035451811 |
0.63 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC12CCC(=O)O1)[H]
|
|
| MCULE-4090339999 |
0.63 |
C1C[C@@]2([H])[C@](C)(CC=1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(OC(C)=O)=CC3)CC2
|
|
| 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-8297229450 |
0.63 |
C12C[C@H]3[C@@H](C[C@H](C)[C@]1([H])CC(=O)C=2C)OC(=O)C3=C
|
|
| MCULE-3961707610 |
0.63 |
C12C(=O)CC(CC=1OC1=C(C(=O)CC(C)(C)C1)C2C1C2C(=O)CC(CC=2OC2CC(C)(C)CC(=O)C1=2)(C)C)(C)C
|
|
| MCULE-8824249409 |
0.63 |
C1=CC2C3C=C(C4CC4)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-3328519303 |
0.63 |
CCC(=O)OC1C(=O)CCC=1C
|
|
| MCULE-2863294124 |
0.63 |
CC1C(=O)OC2C=1CC1C(C)(C=2)CCCC1=C
|
|
| MCULE-4731152030 |
0.63 |
C1C[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@]2([H])C(=C)C1
|
|
| MCULE-2074166404 |
0.63 |
C12C3C1C=CC1C(=O)OC2C1C=C3
|
|
| MolPort-038-386-597 |
0.63 |
CC(=O)OC\C=C(/C)C(CC1C(C)=C(OC(C)=O)C(=O)C2C(C)(C)C(=O)CCC12C)OC(C)=O
|
|
| MolPort-002-911-077 |
0.62 |
CC(=O)OC1CCC2(C)C3C(CC4(C)C(CC=C4OC(C)=O)C3CC[C@@]2(C)C1)OC(C)=O
|
|
| MolPort-002-511-412 |
0.62 |
CCOC1=CC2=CCC3C4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CCC3[C@@]2(C)CC1
|
|
| MolPort-002-507-198 |
0.62 |
CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1
|
|
| MolPort-019-937-339 |
0.62 |
CC1CC(=O)[C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C12
|
|
| MCULE-9464612382 |
0.62 |
C12(C)CCC(=CC1=CCC1([H])C2([H])CCC2(C1([H])CCC12CCC(=O)O1)C)OCC
|
|
| MCULE-6170311136 |
0.62 |
[C@]12(C)CCC(=CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]12CCC(=O)O1)C)OCC
|
|
| MCULE-3172804570 |
0.62 |
C12C(OC(=O)C)CC3(C)C(=CCC3C1CC[C@@]1(C)CC(CCC21C)OC(=O)C)OC(=O)C
|
|
| MCULE-1444566715 |
0.62 |
C1([C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C2C(C)C1)=O
|
|
| MCULE-4899690160 |
0.62 |
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-4416106131 |
0.62 |
C1C(CCCC=1OCCCC)=O
|
|
| MCULE-1124925533 |
0.62 |
C1(C)CC23CCCCCCCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-5593960668 |
0.62 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)OC(CC)=O
|
|
| MCULE-5800803041 |
0.62 |
C1CCCC23C(=O)OC(=O)C2(CC=CC3)CCCCC1
|
|
| MCULE-8659825806 |
0.62 |
C1C[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@]2([H])[C@@](O)(C)C1
|
|
| MCULE-5141554839 |
0.62 |
C(C)(=O)OC1CCC2(C)C3C(C4CCC(C4(C)CC=3OC(C)=O)C(C)([H])OC(C)=O)CCC2(C1)[H]
|
|
| MCULE-5491138764 |
0.62 |
C1(=O)C2C(C)C=C(CC2C(=O)O1)C
|
|
| MCULE-5641241273 |
0.62 |
O=C1C2C3C=CC(CCCC3)C2C(=O)O1
|
|
| MCULE-6802470708 |
0.62 |
C12[C@@H](O)CCC(=O)C=1CC[C@@H]([C@H](CCCCCC)O)O2
|
|
| MCULE-3036241574 |
0.62 |
C12[C@@H](CCC(=O)C=1CC[C@H](O2)[C@@H](O)CCCCCC)O
|
|
| MCULE-3756805391 |
0.62 |
C12(C)C(CCC3C1CCC1(C3CCC1O)C)CC(C1(CCC3=C(CC4(C(C)(C5CCC6(C([H])(CCC6O)C5CC4)C)C3)[H])O1)C2)=O
|
|
| MCULE-8201091099 |
0.62 |
C1C2C(=O)C(O)CCC=2OC2(C)CC=C(C(C)CC/C=C(\C)/CO)C12
|
|
| MCULE-4917707226 |
0.62 |
C12(C(OCC)=O)C=CC(=O)C1C1CC2C=C1
|
|
| MCULE-1844011893 |
0.62 |
O=C(C1OCCCC=1)C1C2(CC2)C1
|
|
| MCULE-8958095760 |
0.62 |
CC(C(C1OCCCC=1)=O)C1CCC1
|
|
| MCULE-3793958264 |
0.62 |
O=C(C1OCCCC=1)C1CC2(CCC2)C1
|
|
| MCULE-6332676455 |
0.62 |
CC(C1C(C(C2OCCCC=2)=O)C1)(C)C
|
|
| MCULE-8597054153 |
0.62 |
O=C(C1OCCCC=1)C1C(C2CC2)C1
|
|
| MolPort-046-689-666 |
0.62 |
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-035-706-230 |
0.62 |
CC1=C2C[C@H]3[C@](C)(O)CCC[C@]3(C)C=C2OC1=O
|
|
| MolPort-002-507-055 |
0.62 |
CC1C=C(C)C[C@H]2[C@@H]1C(=O)OC2=O
|
|
| MolPort-003-847-034 |
0.62 |
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-046-761-515 |
0.62 |
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
|
|
| MolPort-046-701-787 |
0.62 |
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-046-765-549 |
0.62 |
[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-000-797-000 |
0.62 |
CC1(C)CCCC2=C1CC1C(C2)C(=O)OC1=O
|
|
| MolPort-001-756-874 |
0.62 |
CCCCOC1=CC(=O)CCC1
|
|
| MolPort-000-829-812 |
0.62 |
CC1C=C(C)CC2C1C(=O)OC2=O
|
|
| MolPort-001-739-277 |
0.62 |
CCCCCC[C@H](O)[C@@H]1CCC2=C(O1)[C@H](O)CCC2=O
|
|
| MolPort-045-999-116 |
0.62 |
CCOC(=O)C12CCOC1=CCCCC2
|
|
| MolPort-021-804-632 |
0.62 |
CC(CC\C=C(/C)CO)C1=CCC2(C)OC3=C(CC12)C(=O)C(O)CC3
|
|
| MolPort-009-014-420 |
0.61 |
CC(=O)OC(C)(C)[C@H]1CC=C(C)C(=O)C1
|
|
| MolPort-027-835-567 |
0.61 |
O=C1OC(=O)[C@@H]2[C@H]1[C@@H]1CC[C@@H]2C=C1
|
|
| MolPort-001-764-908 |
0.61 |
O=C1OC(=O)C2C1C1CCC2C=C1
|
|
| MolPort-035-769-790 |
0.61 |
O=C1OC(=O)C2C1[C@H]1CC[C@@H]2C=C1
|
|
| MolPort-002-516-481 |
0.61 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1[C@@H]1[C@H]3C(=O)OC1=O
|
|
| MolPort-000-734-484 |
0.61 |
CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(O)=O)C2CC1C1C3C(=O)OC1=O
|
|
| MolPort-003-921-266 |
0.61 |
COC1=C2CCCC(=O)C2(C)CCC1=O
|
|
| MolPort-002-522-118 |
0.61 |
COC(=O)[C@@]1(C)CC(=O)[C@]2(C)CC[C@]3(C)C(C=CC4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)=C2C1
|
|
| MolPort-039-339-162 |
0.61 |
C[C@@H]1C=C2OC(=O)[C@@](C)(O)[C@]2(C)[C@@H]2[C@H](O)[C@H]3[C@@H]4[C@@H](O)C(=O)[C@H]5C[C@@H]6O[C@@H]6[C@H](OC(C)=O)[C@]5(C)[C@H]4[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)[C@@H]12
|
|
| MCULE-9637062181 |
0.61 |
[C@H]12O[C@H]1C[C@]1([H])C(=O)[C@H](O)[C@@]3([H])[C@]4([H])[C@@H](O)[C@@]5([H])[C@@]6(C)[C@](C)(O)C(=O)OC6=C[C@@H](C)[C@]5([H])[C@@]4(C)[C@@H](OC(=O)C)[C@@H](OC(C)=O)[C@]3([H])[C@@]1(C)[C@H]2OC(=O)C
|
|
| MCULE-8616766762 |
0.61 |
C1C(C)(C)C(C(=O)C(=O)OCC)C(=O)C(OC)=C1
|
|
| MCULE-8613188927 |
0.61 |
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-8407720746 |
0.61 |
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-8392201259 |
0.61 |
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-5874149529 |
0.61 |
[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-4529602980 |
0.61 |
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-5015030206 |
0.61 |
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-1044387998 |
0.61 |
C1(=O)CCC2(C)C3CCC4(C)C(OC(=O)CCC5CCCC5)CCC4C3CCC2=C1
|
|
| MCULE-7382046053 |
0.61 |
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-7045925975 |
0.61 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-5866611081 |
0.61 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2OC(CCC(C)C)=O)C)=O
|
|
| MCULE-5488659453 |
0.61 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CC)=O)C)=O
|
|
| MCULE-5243784193 |
0.61 |
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-4772039176 |
0.61 |
[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-8627319345 |
0.61 |
[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-2384003351 |
0.61 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(CCCCCCCCC)=O)C)=O
|
|
| MCULE-1602734224 |
0.61 |
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-9000317976 |
0.61 |
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-5822421820 |
0.61 |
[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-8267556474 |
0.61 |
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-4909263569 |
0.61 |
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-3608441851 |
0.61 |
C12(C)CCC3(C([H])(CCC4=CC(=O)CCC43[H])C1([H])CCC2OC(CCCCCCCCC)=O)[H]
|
|
| MCULE-9323409980 |
0.61 |
[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-7361055399 |
0.61 |
CC12C3C(O)CC4(C)C5(OC(=O)CC5)CCC4C3C=CC1=CC(=O)CC2
|
|
| MCULE-3397065732 |
0.61 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(C)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
|
|
| MCULE-3824820609 |
0.61 |
C1(C)CC2(C(=O)OC(=O)C2(C)CC=1)C
|
|
| MCULE-7609787636 |
0.61 |
O1C(=O)C2C(CC(=CC2)C)C1=O
|
|
| MCULE-1413309866 |
0.61 |
CC1CC2C(OC(=O)C2CC=1C)=O
|
|
| MCULE-9056952775 |
0.61 |
CC(COC1CCCC(=O)C=1)C
|
|
| MCULE-4073913947 |
0.61 |
C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C(OC(C)=O)C2)C2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-9975535341 |
0.61 |
C1(=O)OC2C(CC=C(CCC(=O)C)C(C2)C)C1=C
|
|
| MCULE-7809140609 |
0.61 |
C12(C(=O)CC(C)(C)CC1=O)CC1=C(CC(CC1=O)(C)C)O2
|
|
| MCULE-4452792862 |
0.61 |
C12(C)CCC3C(CCC4C=C(OC(=O)CC[NH+]5CCCC5)CCC34C)C1CC=C2C(C)=O
|
|
| MCULE-9128728331 |
0.61 |
[C@H]12O[C@H]1C[C@]1([H])C(=O)[C@H](O)[C@@]3([H])[C@]4([H])[C@@H](OC(=O)C)[C@@]5([H])[C@@]6(C)[C@](C)(O)C(=O)OC6=C[C@@H](C)[C@]5([H])[C@@]4(C)[C@@H](OC(=O)C)[C@@H](OC(C)=O)[C@]3([H])[C@@]1(C)[C@H]2OC(=O)C
|
|
| MCULE-9928324893 |
0.61 |
C12C(=O)CC(C)(C)CC=1OC1(O)CCCC2C1
|
|
| MCULE-2889569754 |
0.61 |
C12C(=O)CCCC=1OC1(O)CCCC2C1
|
|
| MCULE-2935787590 |
0.61 |
O=C1C=CC2(C)C(C1)(CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H]
|
|
| MCULE-4795427452 |
0.61 |
C(C1CC=C(C)C(=O)C1)(C)(C)OC(=O)C
|
|
| MCULE-3184680198 |
0.61 |
C(C)(=O)OC1CC2(C(C)(CCC=1)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC2)[H]
|
|
| MCULE-7247024759 |
0.61 |
C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(=CCC4C3CCC2(C1)[H])C(C)=O)=O
|
|
| MCULE-4012121864 |
0.61 |
[C@@H]1(CC=C(C)C(=O)C1)C(C)(C)OC(=O)C
|
|
| MCULE-2769077006 |
0.61 |
C1CC23CC(C)(C)CC2(C(=O)OC3=O)CC=1
|
|
| MCULE-9425225826 |
0.61 |
C1(C)CC23CCCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-7345759760 |
0.61 |
O=C1CCC2(C)C(CCCC2=C1OC)=O
|
|
| MCULE-8868589151 |
0.61 |
C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-1795899971 |
0.61 |
C1CC23C(=O)OC(=O)C2(CCC3)CC=1
|
|
| MCULE-9103372368 |
0.61 |
C1(=O)C2C3CCC(C=C3)C2C(=O)O1
|
|
| MCULE-5454494701 |
0.61 |
C123CCC4C(C)(CCCC4(C)C(O)=O)C1CC(C1C(OC(=O)C21)=O)C(C(C)C)=C3
|
|
| MCULE-1087443932 |
0.61 |
C1CC2C3C(=O)OC(=O)C3C3CCCCC3=C2CC1
|
|
| MCULE-2122490766 |
0.61 |
C1CC23CCCCC2(C(=O)OC3=O)C2CCCCC=12
|
|
| MCULE-8776636782 |
0.61 |
C1CC23C(=O)OC(=O)C2(CCCC3)CC=1
|
|
| MCULE-8457539977 |
0.61 |
C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C=3CCC2(C1)[H])OC(C)=O)=O
|
|
| MCULE-5053755296 |
0.61 |
C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1C
|
|
| MolPort-002-507-402 |
0.61 |
CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-000-726-176 |
0.61 |
CCCCCCCCCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-793-259 |
0.61 |
CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
|
|
| MolPort-006-111-246 |
0.61 |
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-003-959-707 |
0.61 |
CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-019-995-532 |
0.61 |
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
|
|
| MolPort-019-992-388 |
0.61 |
CC(C)CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-042-652-640 |
0.61 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2OC(=O)CCC1CCCC1
|
|
| MolPort-003-959-766 |
0.61 |
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
|
|
| MolPort-023-221-738 |
0.61 |
CCCCCCCCCCCCCCCCCCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1
|
|
| MolPort-003-959-637 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
|
|
| MolPort-003-935-397 |
0.61 |
CCCCCCCCCCCCCCCCCCOC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-003-850-422 |
0.61 |
CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-338-911 |
0.61 |
CC(=O)OC(C)(C)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(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-028-610-012 |
0.61 |
CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
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| MolPort-005-940-683 |
0.61 |
C[C@]12C[C@@H](O)C3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-027-720-550 |
0.61 |
C[C@]12C[C@@H](O)[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-035-394-990 |
0.61 |
CC12CC(O)C3C(C=CC4=CC(=O)CCC34C)C1CCC21CCC(=O)O1
|
|
| MolPort-000-154-940 |
0.61 |
CC1=C(C)CC2C(C1)C(=O)OC2=O
|
|
| MolPort-001-740-745 |
0.61 |
CC1CC2OC(=O)C(=C)C2CC=C1CCC(C)=O
|
|
| MolPort-002-510-316 |
0.61 |
CC(=O)O[C@@H]1C[C@@]2(C)C(CCC2C(C)=O)C2CCC3=CC(=O)CC[C@]3(C)C12
|
|
| MolPort-001-759-762 |
0.61 |
CC(C)COC1=CC(=O)CCC1
|
|
| MolPort-001-018-394 |
0.61 |
CC1=CCC2C(C1)C(=O)OC2=O
|
|
| MolPort-046-596-515 |
0.61 |
CC(=O)C1=CCC2C3CCC4C=C(CC[C@]4(C)C3CC[C@]12C)OC(=O)CCN1CCCC1
|
|
| MolPort-002-168-855 |
0.61 |
CC1(C)CC2=C(CC3(O2)C(=O)CC(C)(C)CC3=O)C(=O)C1
|
|
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0.61 |
C[C@@H]1C=C2OC(=O)[C@@](C)(O)[C@]2(C)[C@@H]2[C@H](OC(C)=O)[C@H]3[C@@H]4[C@@H](O)C(=O)[C@H]5C[C@@H]6O[C@@H]6[C@H](OC(C)=O)[C@]5(C)[C@H]4[C@H](OC(C)=O)[C@H](OC(C)=O)[C@]3(C)[C@@H]12
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0.60 |
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
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| MolPort-023-277-853 |
0.60 |
CC1=CC2C(CC1)C(=O)OC2=O
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0.60 |
CC1=CC(CC2C1C(=O)OC2=O)C1CC(=O)OC1=O
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0.60 |
C[C@]12[C@@H]3C[C@@H](C=C3)[C@H]1C(=O)OC2=O
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0.60 |
C[C@@]12[C@H]3C[C@H](C=C3)[C@@H]1C(=O)OC2=O
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0.60 |
O=C1OC(=O)[C@@H]2[C@H]3C[C@H](C=C3)[C@H]12
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0.60 |
O=C1OC(=O)C2C3CC(C=C3)C12
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0.60 |
O=C1OC(=O)C2[C@H]3C[C@@H](C=C3)C12
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|
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0.60 |
O=C1OC(=O)[C@@H]2[C@@H]3C[C@@H](C=C3)[C@H]12
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|
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0.60 |
O=C1OC(=O)C2[C@@H]3C[C@@H](C=C3)C12
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0.60 |
C[C@]12CC=C3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@H]1CC[C@@]21CCC(=O)O1
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0.60 |
C[C@]12CC=C3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
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0.60 |
CCC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CC(=O)C23)C1
|
|
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0.60 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC(=O)O2
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|
| MolPort-039-019-052 |
0.60 |
CCC1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2
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|
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0.60 |
CC1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2
|
|
| MolPort-000-659-729 |
0.60 |
CC1(C)CC(=O)C2=C(C1)OC1=C(C2)C(=O)CC(C)(C)C1
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|
| MolPort-001-573-770 |
0.60 |
CCCCCCC1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2
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|
| MolPort-002-511-669 |
0.60 |
CC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OC(=O)CCC(O)=O
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| MolPort-000-824-824 |
0.60 |
CCC(=O)OCC(C)CCC1=C(C)C2C(CC3C4CC[C@H]5CC(CC[C@]5(C)C4CC[C@]23C)OC(=O)CC)O1
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0.60 |
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2(C)C
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|
| MolPort-000-744-885 |
0.60 |
CC(CCCC(C)(C)O)CC1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
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|
| MolPort-046-760-997 |
0.60 |
CC1=C2C[C@H]3[C@H](CO)[C@H]4C[C@H]4[C@]3(C)C=C2OC1=O
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|
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0.60 |
CC(=O)O[C@@]1(C)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
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|
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0.60 |
[Cl-].CC(=O)C1=CCC2C3CCC4C=C(CCC4(C)C3CCC12C)OC(=O)CC[NH+]1CCCC1
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|
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0.60 |
CC12CCC3C(C=CC4=CC(=O)CCC34C)C1CCC21CCC(=O)O1
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|
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0.60 |
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
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0.60 |
Cl.CC(=O)C1=CC[C@H]2[C@@H]3CCC4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCN1CCCC1
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|
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0.60 |
C[C@]12CCC3[C@@H](C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-001-787-784 |
0.60 |
CC(=O)OC1=CCCCC1
|
|
| MCULE-8117200139 |
0.60 |
[C@]12([H])C(=O)OC(=O)[C@@]1([H])[C@]1([H])C[C@@]2([H])C(=C1)C
|
|
| MCULE-9368478699 |
0.60 |
O=C1[C@]2([H])[C@]([C@@]3(C=C[C@@]2([H])C3)[H])(C)C(=O)O1
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|
| MCULE-9416510641 |
0.60 |
C1(=O)[C@H]2[C@H]3C[C@H](C=C3)[C@H]2C(=O)O1
|
|
| MCULE-3179520262 |
0.60 |
C1(=O)[C@H]2[C@@H]3C[C@@H](C=C3)[C@H]2C(=O)O1
|
|
| MCULE-7212307650 |
0.60 |
C1CC2CC1C1=C2C2CC1C1C(=O)OC(=O)C12
|
|
| MCULE-4967241885 |
0.60 |
C1(C)C2C3C(=O)OC(=O)C3C(C2)C=1
|
|
| MCULE-4992964291 |
0.60 |
C1C2C3CC(CC(=O)C)C3C(C3([H])C(=O)OC(=O)C32[H])C=1
|
|
| MCULE-7718531263 |
0.60 |
C1(=O)C2C3CC(C=C3)C2C(=O)O1
|
|
| MCULE-7015396651 |
0.60 |
C12C(=O)OC(=O)C1C1CCCC2C=C1
|
|
| MCULE-5332478343 |
0.60 |
C1C2C(=O)OC(=O)C2C(C)=CC1C1CC(=O)OC1=O
|
|
| MCULE-4559063392 |
0.60 |
C12C(=O)CC3(C)C(=CCC3C1CCC1CC(CCC21C)OC(=O)CC)C(=O)C
|
|
| MCULE-6631619200 |
0.60 |
O=C(C12CCCCC1C2)C1OCCCC=1
|
|
| MCULE-7083098838 |
0.60 |
O=C(C12CCCC1C2)C1OCCCC=1
|
|
| MCULE-2994624081 |
0.60 |
[C@@]12(C)C(C(C)=O)CCC1C1C([C@H](OC(CCC(O)=O)=O)C2)[C@@]2(C)CCC(C=C2CC1)=O
|
|
| MCULE-5957376137 |
0.60 |
O=C(C1OCCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
|
|
| MCULE-4735662565 |
0.60 |
O=C(C1OCCCC=1)C1C2C(C2)CCC1
|
|
| MCULE-3056065011 |
0.60 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CC)=O)C1CC1OC(CCC(C)COC(CC)=O)=C(C)C21
|
|
| MCULE-4846663089 |
0.60 |
O=C(C1OCCCC=1)C1CC2C(C2)CC1
|
|
| MCULE-5007622651 |
0.60 |
C12C(CCCC=1OC1=C(C(CCC1)=O)C2CC(C)CCCC(C)(C)O)=O
|
|
| MCULE-2864749639 |
0.60 |
C12C(=O)CC(C)(C)CC=1OC1CC(C)(C)CC(=O)C=1C2C(C)C
|
|
| MCULE-9156046040 |
0.60 |
C12C(=O)CC(CC=1OC1CC(CC(=O)C=1C2CC)(C)C)(C)C
|
|
| MCULE-4019259646 |
0.60 |
C12C(=O)CC(CC=1OC1=C(C(=O)CC(C)(C)C1)C2(C)C)(C)C
|
|
| MCULE-8357470383 |
0.60 |
C12C(=O)CC(CC=1OC1CC(C)(C)CC(=O)C=1C2C)(C)C
|
|
| MCULE-9037290963 |
0.60 |
C12C(=O)CC(CC=1OC1CC(C)(C)CC(=O)C=1C2)(C)C
|
|
| MCULE-1867169834 |
0.60 |
C12C(=O)CC(CC=1OC1CC(C)(C)CC(=O)C=1C2CCCCCC)(C)C
|
|
| MCULE-4694435575 |
0.60 |
C12OC3CC(C)(C)CC(=O)C=3C(CCCCO)C=1C(=O)CC(C)(C)C2
|
|
| MCULE-4493108180 |
0.60 |
C12C(=O)CC(CC=1OC1CC(C)(C)CC(=O)C=1C2COC(C)=O)(C)C
|
|
| MCULE-3370825749 |
0.60 |
[C@@]12(CCC(=O)O1)CC[C@@]1([H])[C@]3([H])C=CC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]21C
|
|
| MCULE-8218872905 |
0.60 |
[C@]12(C)CCC(C=C1C=C[C@@]1([H])[C@]3([C@@](C)([C@@]4(CC3)CCC(=O)O4)CC[C@@]12[H])[H])=O
|
|
| MCULE-7236722260 |
0.60 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@@](CCC21)(C)OC(=O)C)=O
|
|
| MCULE-3344154059 |
0.60 |
O=C1CCC2(C3C(CC4(C)C(CCC4C3CCC2=C1)OC(C)=O)OC(C)=O)[H]
|
|
| MCULE-9114020834 |
0.60 |
[Cl-].C12(C)CCC3C(CCC4C=C(OC(=O)CC[NH+]5CCCC5)CCC34C)C1CC=C2C(C)=O
|
|
| MCULE-8058775334 |
0.60 |
C12(C)CCC(C=C1C=CC1([H])C3(C(C)(C4(CC3)CCC(=O)O4)CCC12[H])[H])=O
|
|
| MCULE-4632715430 |
0.60 |
CC(OC1CCCCC=1)=O
|
|
| MCULE-1968851832 |
0.60 |
C1([C@]2(C)C3[C@@H](O)[C@@H]4OC(=O)[C@@H]([C@H]4C)[C@]3(C)C(=O)C=C2C(C)=C1)=O
|
|
| MCULE-1443298869 |
0.60 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(CCC(O)=O)=O)C1CC1OC(CCCCOC(C)=O)=C(C)C21
|
|
| MCULE-4136441831 |
0.60 |
C12(C)CCC(=CC1=CCC1([H])C2([H])CCC2(C1([H])CCC12CCC(=O)O1)C)OC
|
|
| MCULE-1292920293 |
0.60 |
[C@]12(C)CCC(=CC1=CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]12CCC(=O)O1)C)OC
|
|
| MCULE-9683452020 |
0.60 |
C12C3C(C)=CC(C4C3C3C4C(OC3=O)=O)C1C(OC2=O)=O
|
|
| MCULE-1607221597 |
0.60 |
C12C3C(=O)OC(=O)C3C(C31CC3)C=C2
|
|
| MCULE-3754202975 |
0.60 |
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-1850569909 |
0.60 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CCC43)C1CC[C@@H]2OC(C)=O
|
|
| MCULE-6913740702 |
0.60 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)([H])OC(C)=O
|
|
| MCULE-3758685184 |
0.60 |
O(C(C)=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C(C)=CC(C[C@@H]3CC[C@@H]21)=O
|
|
| MCULE-9650544498 |
0.60 |
[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-3173207342 |
0.60 |
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-5241313012 |
0.60 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2OC(C)=O)C)=O
|
|
| MCULE-9611860953 |
0.60 |
C(O)(=O)[C@]12[C@@](C3=CC[C@]4([H])[C@]5(C)C(CC[C@]4([C@@]3(CC1)C)C)C(C)(C)[C@@H](OC(=O)[C@]13[C@@](C4=CCC6[C@]7(C)C(CC[C@]6([C@@]4(CC1)C)C)C(C)(C)C(=O)CC7)([H])[C@@H](C)[C@H](C)CC3)CC5)([H])[C@@H](C)[C@H](C)CC2
|
|
| MCULE-2560050399 |
0.60 |
C12C(=O)CC(CC=1OC(=O)CC2C1C=CC=C2C=CC=CC=12)(C)C
|
|
| MCULE-8120113808 |
0.60 |
C12C(=O)CC(CC=1OC(=O)CC2C1C=CC2=C(C=CC=C2)C=1)(C)C
|
|
| MCULE-6935379364 |
0.60 |
C12C(=O)CC(CC=1OC1=C(C(=O)CC(C)(C)C1)C2C1C(=O)CC(CC=1O)(C)C)(C)C
|
|
| MCULE-3228829163 |
0.60 |
C12CC(OC=1CCCC2=O)CC(OCC)=O
|
|
| MCULE-7442498630 |
0.60 |
C1(=O)C2C(C)C(C)=C(CC2C(=O)O1)/C=C(\C)/C
|
|
| MCULE-6296063373 |
0.60 |
O=C1CCC2(C3CCC4(C)C(CCC4C3CCC2=C1)C(OCC)=O)C=O
|
|
| MCULE-6412555386 |
0.60 |
[C@@]12(C)CC[C@@]3(C)[C@@]4([H])OC(=O)[C@@](C4)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]21C
|
|
| MCULE-9723128082 |
0.60 |
C12CC(C=C1)CC2C(OC1(C)CCCC1)=O
|
|
| MCULE-4172470592 |
0.60 |
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-8016431488 |
0.60 |
C1C[C@]2(C)[C@@]3([H])CC=C4[C@]5([H])C[C@@]6(C(=O)O[C@@]([H])(C6)[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)C
|
|
| MCULE-4584306367 |
0.60 |
O=C1CC(C)(C)CC(OCC)=C1
|
|
