| MolPort-035-706-373 |
0.76 |
CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)[C@](C)(CO)[C@@H]2CC4)O1
|
|
| MCULE-7639346141 |
0.76 |
C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)[C@H]1O
|
|
| MolPort-035-706-372 |
0.75 |
CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CCC(=O)[C@](C)(CO)[C@@H]2CC4)O1
|
|
| MCULE-4986901322 |
0.75 |
C1C[C@]2(C)C3CC[C@]4(C)[C@]5(O[C@H](C(=O)CC)C[C@H]5C)CC[C@@]4(C)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
|
|
| MCULE-2321781017 |
0.72 |
CC1OC(C(CC2CC=CCC2)=O)CC1
|
|
| MCULE-1292561691 |
0.72 |
CC1C(C(CC2CC=CCC2)=O)OCC1
|
|
| MCULE-2591985853 |
0.72 |
CC1(C(CC2CC=CCC2)=O)OCCC1
|
|
| MCULE-9033649357 |
0.72 |
CCOC([C@@]1(CCC[C@@]2(C)[C@]1(CC=C1[C@@]2(CCC(C(C)C)=C1)[H])[H])C)=O
|
|
| MCULE-1095043105 |
0.72 |
C12(C)C(=O)C3C4CC(C=C4)C3C(=O)C1O2
|
|
| MCULE-6499922066 |
0.72 |
C12C(=O)C3C4CC(C=C4)C3C(=O)C1O2
|
|
| MolPort-003-987-059 |
0.72 |
CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
|
|
| MolPort-003-009-842 |
0.72 |
CC12OC1C(=O)C1C3CC(C=C3)C1C2=O
|
|
| MolPort-001-762-287 |
0.72 |
O=C1C2OC2C(=O)C2C3CC(C=C3)C12
|
|
| MCULE-2555944797 |
0.70 |
CC1C(C2C=CCCCCC2)C(=O)CO1
|
|
| MCULE-5385910148 |
0.70 |
C12=CC(O)CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(CCCCC)=O)[C@]3(CC1)C)C=C2C
|
|
| MCULE-9337389884 |
0.70 |
C(C)(=O)OC1CC2(CC=C3C(=CCC4(C)C(C(C)CCC(OC)=O)CCC43)C2(C)CC1)[H]
|
|
| MCULE-9367731136 |
0.70 |
CC1([C@@H](OC(=O)C)CC[C@@]2(C)[C@H]1CC=C1[C@@]3(C)[C@]([C@H]([C@@H](C3)O)[C@H](C(=O)O)CCC(C(C)C)=C)(C)CC=C12)C
|
|
| MolPort-002-511-329 |
0.70 |
CCCCCC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
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|
| MolPort-039-338-561 |
0.70 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)C(O)=O
|
|
| MolPort-039-339-023 |
0.70 |
CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)C(O)=O
|
|
| MolPort-039-338-564 |
0.70 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](CC[C@]4(C)C3=CC[C@]12C)OC(C)=O)C(O)=O
|
|
| MCULE-2664519273 |
0.69 |
O=C1C(CC2C3C=CC(CC3)C2)COC1
|
|
| MCULE-2665777576 |
0.69 |
CC1C(C2C=CCCC2)C(=O)CO1
|
|
| MCULE-7531592521 |
0.69 |
C12=CC(CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(CCCCC)=O)[C@]3(CC1)C)C=C2C)=O
|
|
| MCULE-7563615671 |
0.69 |
CC1OC(C(CC2CC=CC2)=O)CC1
|
|
| MCULE-7826570024 |
0.69 |
CC1([C@@H]2CC=C3[C@@]4(C)[C@]([C@@H]([C@H](C(=O)O)CCC(C(C)C)=C)CC4)(C)CC=C3[C@@]2(C)CC[C@@H]1OC(=O)C)C
|
|
| MolPort-046-793-005 |
0.69 |
CCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4C3=CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-046-793-004 |
0.69 |
CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4C3=CC=C2C1)[C@H](C)CCCC(C)C
|
|
| MolPort-002-511-260 |
0.69 |
CCCCCC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-002-522-872 |
0.69 |
CCOC(=O)[C@@]1(C)CC2C3=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C(=O)C1
|
|
| MolPort-006-110-824 |
0.68 |
COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CCC(=CC3=CC[C@@H]12)C(C)C
|
|
| MolPort-002-506-867 |
0.68 |
CC(=O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-002-527-432 |
0.68 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-046-596-330 |
0.68 |
CC(=O)[C@@]12CC3C4CC=C5CC(O)CC[C@]5(C)C4CC[C@]3(C)[C@@H]1O2
|
|
| MolPort-003-958-863 |
0.68 |
CC(=O)[C@@]12O[C@]1(C)C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
|
|
| MolPort-007-980-841 |
0.68 |
CC(=O)[C@@]12CC3C4CC=C5CC(O)CCC5(C)C4CCC3(C)[C@@H]1O2
|
|
| MolPort-001-512-553 |
0.68 |
CC(=O)C12OC1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
|
|
| MolPort-002-525-601 |
0.68 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-000-707-481 |
0.68 |
CC(=O)[C@@]12O[C@@H]1CC1C3CC=C4CC(O)CCC4(C)C3CCC21C
|
|
| MolPort-002-509-911 |
0.68 |
CC(=O)[C@@]12O[C@]1(C)CC1C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]21C
|
|
| MCULE-2519092915 |
0.68 |
C1CCC2(C)C3CCC(C(C)C)=CC3=CCC2C1(C(=O)OC)C
|
|
| MCULE-8374344586 |
0.68 |
O=C1C(CCC2CCCCC=2)COC1
|
|
| MCULE-7060204243 |
0.68 |
CC1C(CCC2CCCCC=2)C(=O)CO1
|
|
| MCULE-9090867563 |
0.68 |
[C@@]12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)[C@@H]1O2
|
|
| MCULE-2091190347 |
0.68 |
OC(C1(OCCC1)CC1CC=CCC1)=O
|
|
| MCULE-9144922088 |
0.68 |
C(C)(C12C(C)(CC3C4CC=C5CC(O)CCC5(C)C4CCC31C)O2)=O
|
|
| MCULE-6649407342 |
0.68 |
C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)O
|
|
| MCULE-5591099284 |
0.68 |
[C@]12(C(C)=O)[C@H](O1)C[C@@]1([H])[C@]3([C@]([H])(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)O)[H]
|
|
| MCULE-7405954364 |
0.68 |
[C@@]12(C(C)=O)O[C@]1(C)CC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1=CC3)O
|
|
| MCULE-4966336591 |
0.68 |
C12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(O)C3)C1O2
|
|
| MCULE-3588534045 |
0.68 |
C12(C)CCCC(C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
|
|
| MCULE-3788851533 |
0.68 |
[C@]12(C)CCC[C@@](C)(C(O)=O)C1CCC1=CC(C(C)C)=CCC12
|
|
| MCULE-9612148440 |
0.68 |
O=C1C(CC2CC=CCC2)COC1
|
|
| MCULE-7641008425 |
0.68 |
CC1C(CC2CC=CCC2)C(=O)CO1
|
|
| MCULE-6360105150 |
0.68 |
O=C1C(CC2CCCC=2)COC1
|
|
| MCULE-4238406785 |
0.68 |
CC1C(CC2CCCC=2)C(=O)CO1
|
|
| MolPort-002-511-643 |
0.68 |
CC(C)C1=CCC2C(CCC3[C@]2(C)CCC[C@@]3(C)C(O)=O)=C1
|
|
| MolPort-045-901-862 |
0.68 |
CC(C)C1=CCC2C(CCC3C2(C)CCCC3(C)C(O)=O)=C1
|
|
| MolPort-006-127-434 |
0.68 |
CC(=C)[C@@H]1C[C@H]2O[C@@]2(C)C(=O)C1
|
|
| MolPort-045-999-251 |
0.68 |
CC(=C)[C@@H]1C[C@@H]2O[C@]2(C)C(=O)C1
|
|
| MolPort-046-687-446 |
0.68 |
CCOC(=O)CCCCCCC\C=C/C=C/C(O)C\C=C/CC
|
|
| MCULE-1794103472 |
0.67 |
CC1(C(CC2CC=CC2)=O)OCCCC1
|
|
| MCULE-5107744915 |
0.67 |
CC1(C(CC2CC=CC2)=O)OCCC1
|
|
| MCULE-4774026424 |
0.67 |
O=C(C1OCCCC1)CC1CC=CC1
|
|
| MCULE-6657834214 |
0.67 |
CC1C(C(CC2CC=CC2)=O)OCC1
|
|
| MCULE-7442498630 |
0.67 |
C1(=O)C2C(C)C(C)=C(CC2C(=O)O1)/C=C(\C)/C
|
|
| MCULE-4854708910 |
0.67 |
CC1(C(=O)C(CC2CC=CCC2)CO1)C
|
|
| MCULE-7433867323 |
0.67 |
C1(=O)CC2(CC(=O)OC2CC1)C/C=C(\C)/CC/C=C(\C)/C
|
|
| MolPort-039-052-567 |
0.67 |
C[C@@H](CC(=O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
|
|
| MolPort-039-139-037 |
0.67 |
CCCC\C=C\C=C\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-002-511-906 |
0.67 |
CC1[C@H]2[C@@H](CC(C=C(C)C)=C1C)C(=O)OC2=O
|
|
| MolPort-002-507-056 |
0.67 |
CC1C2C(CC(C=C(C)C)=C1C)C(=O)OC2=O
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|
| MolPort-002-509-747 |
0.66 |
CC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
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|
| MolPort-003-848-480 |
0.66 |
[2H]C([2H])([2H])C1=C[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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|
| MolPort-003-666-225 |
0.66 |
CC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-005-934-820 |
0.66 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-005-971-778 |
0.66 |
CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-002-507-159 |
0.66 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-006-394-861 |
0.66 |
CC(=O)O[C@@]1(CCC2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-046-690-477 |
0.66 |
C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=CC1=O
|
|
| MolPort-046-690-478 |
0.66 |
CC1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=CC1=O
|
|
| MolPort-000-835-138 |
0.66 |
CC(=O)O[C@@]1(CCC2C3C=CC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-030-042-316 |
0.66 |
CC(=O)OC1(CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-046-764-699 |
0.66 |
C[C@H]1C[C@@H](O)C2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1
|
|
| MolPort-006-131-539 |
0.66 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-044-755-244 |
0.66 |
CO[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(=O)C(C)(C)C)[C@@H]3CC=C2C1
|
|
| MCULE-5182543895 |
0.66 |
[C@]12(C)CCC3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-4763981533 |
0.66 |
CC(=O)O[C@]1([C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)C(C)=C3)[H])([H])CC1)C(=O)C
|
|
| MCULE-8861434212 |
0.66 |
[C@]12(C)CC[C@]3([C@@]([H])(C=CC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(C)=O)[H]
|
|
| MCULE-7583895634 |
0.66 |
C12=CC(CCC1(C)C1C(C3CCC(C(C)=O)(OC(C)=O)C3(CC1)C)C=C2C)=O
|
|
| MCULE-5039022522 |
0.66 |
C12(C)CCC3C(C=CC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(C)=O
|
|
| MCULE-9350418837 |
0.66 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@](C(=O)C)(OC(=O)C)CC[C@@]4([H])[C@]3([H])C=C(C)C2=CC1=O
|
|
| MCULE-7694957039 |
0.66 |
O=C1CCC(OCC2CC=CCC2)CC1
|
|
| MolPort-039-338-712 |
0.66 |
C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2CC[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
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|
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0.66 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(CO)CC[C@@]32C)C1(C)C
|
|
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0.65 |
CCCCCCCCCC(=O)OCCC(C)CC\C=C(/C)CCC=C(C)C
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|
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0.65 |
CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)OC)C(=O)CO
|
|
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0.65 |
[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-6412555386 |
0.65 |
[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-8016431488 |
0.65 |
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-7409296969 |
0.65 |
[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-4825273969 |
0.65 |
[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-4168657248 |
0.65 |
[C@H]1(CCC(=O)CCCCCCC)[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C
|
|
| MCULE-9946479435 |
0.65 |
OC(C1(OCCC1)CC1CC=CC1)=O
|
|
| MCULE-8460337326 |
0.65 |
C12(C(C)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(C=C1CC3)=O
|
|
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0.65 |
C[C@]12C[C@H](OC1=O)[C@]1(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1C2
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|
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CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
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|
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0.65 |
CC(=O)[C@@]12O[C@]1(C)CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
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0.65 |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4C[C@@]5(C)C[C@H](OC5=O)[C@]4(C)CC[C@@]32C)C1(C)C
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|
| MolPort-042-644-562 |
0.65 |
CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-001-828-137 |
0.65 |
CC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
|
|
| MolPort-002-506-983 |
0.65 |
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 |
0.65 |
CC(=O)[C@@]12O[C@]1(C)CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-002-509-553 |
0.65 |
CC(=O)[C@@]12O[C@@H]1CC1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
|
|
| MolPort-003-850-810 |
0.65 |
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-046-687-439 |
0.65 |
CCCCCC(O)\C=C\C=C/CCCCCCCC(=O)OCC
|
|
| MolPort-027-640-939 |
0.65 |
CCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
|
|
| MolPort-019-990-913 |
0.65 |
CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C\CCCC(=O)OC(C)C
|
|
| MolPort-003-850-249 |
0.64 |
[NH4+].CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-038-934-327 |
0.64 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=CC4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-044-724-000 |
0.64 |
[NH4+].CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H](O)C[C@H]([O-])CC(O)=O)[C@H]12
|
|
| MolPort-023-220-532 |
0.64 |
N.CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
|
|
| MolPort-001-739-296 |
0.64 |
CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C12
|
|
| MolPort-046-764-829 |
0.64 |
[NH4+].[2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@H](O)CC([O-])=O)[C@@H]12)C([2H])([2H])[2H]
|
|
| MolPort-001-739-397 |
0.64 |
CCC(C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
|
|
| MCULE-4106244241 |
0.64 |
[C@]12([H])C(C=C[C@H](C)[C@@H]1CC[C@@H](O)C[C@@H](O)CC([O-])=O)=C[C@H](C)C[C@@H]2OC(=O)[C@@H](C)CC
|
|
| MCULE-3608909089 |
0.64 |
O(C(C(C)(C)CC)=O)[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H](C[C@H](CC(=O)O)O)O)[C@@H]12
|
|
| MCULE-8583685611 |
0.64 |
C1[C@H](OC(C(CC)C)=O)[C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)O)=CC1
|
|
| MCULE-7414282746 |
0.64 |
C(=O)(C(C)CC)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC(=O)O)C12
|
|
| MCULE-3207105074 |
0.64 |
CC(=O)O[C@H](C(=O)C(C)C)C[C@@H](C)C1CC[C@@]2([C@@]3([C@]([C@H](CC=12)O)([H])[C@]1(C)[C@@](C(C(=O)CC1)(C)C)([H])CC3)C)C
|
|
| MCULE-7217652406 |
0.64 |
C12(C(CCOC)=O)C(O1)CC1C3C(CCC21C)C1(C)CCC(CC1=CC3)O
|
|
| MCULE-1917377062 |
0.64 |
C(C)(=O)OC1CCC2(C)C3C(C4CCC(C(C)C(OC)=O)C4(C)CC=3)=CCC2(O)C1
|
|
| MCULE-2890971693 |
0.64 |
[C@@]12(C(=O)CO1)[C@]1(C[C@H](O)[C@@]3([H])[C@]([H])([C@]1([H])CC2)CCC1=CC(=O)C=C[C@@]13C)C
|
|
| MCULE-8772466243 |
0.64 |
C1CC23CCOC(=O)C2(CCCC3)CC=1
|
|
| MCULE-4598208373 |
0.64 |
C12(C)CCC3C(C=CC4=CC(=O)C=CC34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-4631476452 |
0.64 |
[C@]12(C)CC[C@]3([C@@]([H])(C=CC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(C)=O)[H]
|
|
| MCULE-1988011337 |
0.64 |
CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)C
|
|
| MCULE-5029800865 |
0.64 |
CC(OC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O)(C)C
|
|
| MCULE-8553860527 |
0.64 |
C12(C3C4C5C(C1OC1C5C3CC1)C1C3CC=CC3C2C14)C=O
|
|
| MCULE-8546117938 |
0.64 |
[C@]12([H])C(C=C[C@H](C)[C@@H]1CC[C@@H](O)C[C@@H](O)CC([O-])=O)=C[C@H](C)C[C@@H]2OC(=O)[C@@H](C)CC.[Na+]
|
|
| MCULE-3460278496 |
0.64 |
C12CCC(C=C1)CC2C(OCC)=O
|
|
| MCULE-7139024966 |
0.64 |
[Na+].O=C(C[C@@H](C[C@@H](CC[C@@H]1[C@]2([H])C(=C[C@@H](C[C@@H]2OC(=O)C(CC)(C)C)C)C=C[C@@H]1C)O)O)[O-]
|
|
| MCULE-1825345202 |
0.64 |
C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3=CCC(C(C)C=CC(C)C(C)C)C3(C)CCC=12)[H]
|
|
| MCULE-7361055399 |
0.64 |
CC12C3C(O)CC4(C)C5(OC(=O)CC5)CCC4C3C=CC1=CC(=O)CC2
|
|
| MCULE-1480805765 |
0.64 |
CCOC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-1316925332 |
0.64 |
CC(OC(C1C2C=CC(CC2)C1)=O)C
|
|
| MCULE-9697672273 |
0.64 |
CC(OC(C1C2C=CC(CC2)C1)=O)(C)C
|
|
| MCULE-5515322675 |
0.64 |
C12(C(CC)=O)C3CC(C=C3)C1C(C1OC12)=O
|
|
| MolPort-046-158-385 |
0.64 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@]21OCC1=O
|
|
| MolPort-002-509-571 |
0.64 |
CC(=O)O[C@@]1(CCC2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-042-644-560 |
0.64 |
CC(=O)O[C@@]1(CCC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-006-126-540 |
0.64 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CC(=C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-000-703-777 |
0.64 |
CC(=O)O[C@@]1(CCC2C3C=CC4=CC(=O)C=CC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-046-596-262 |
0.64 |
CC(=O)O[C@@]1(CCC2C3C=CC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-002-529-354 |
0.64 |
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-046-765-304 |
0.64 |
CC(=O)OC1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)C(C)=C[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-046-690-963 |
0.64 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)OC)[C@@H]12
|
|
| MolPort-027-720-550 |
0.64 |
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-003-848-428 |
0.64 |
[Na+].[2H]C([2H])([2H])C(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-005-940-683 |
0.64 |
C[C@]12C[C@@H](O)C3C(C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-003-848-427 |
0.64 |
[Na+].CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-690-532 |
0.64 |
[Na+].CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-035-394-990 |
0.64 |
CC12CC(O)C3C(C=CC4=CC(=O)CCC34C)C1CCC21CCC(=O)O1
|
|
| MolPort-046-761-785 |
0.64 |
CC1(C)CCC2=C1CC[C@H]1[C@H]2CC[C@H]2CC(=O)OC[C@]12C
|
|
| MolPort-046-196-931 |
0.64 |
[Na+].CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC(O)CC(O)CC([O-])=O)C12
|
|
| MolPort-002-512-707 |
0.64 |
C[C@]12CCC3C(C=CC4=CC(O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
|
|
| MolPort-046-689-247 |
0.64 |
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-003-800-383 |
0.64 |
CCC(=O)C12C3OC3C(=O)C1C1CC2C=C1
|
|
| MolPort-002-510-498 |
0.63 |
C[C@@H]1CC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-046-596-261 |
0.63 |
C[C@@H]1CC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
|
|
| MolPort-010-969-194 |
0.63 |
CC1CC2C3CCC4CC(=O)CCC4(C)C3=CCC2(C)C1(O)C(=O)COC(C)=O
|
|
| MolPort-006-069-223 |
0.63 |
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-002-526-712 |
0.63 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2=CC=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-026-867-367 |
0.63 |
C=CCCC(=O)C1CCCO1
|
|
| MolPort-023-598-683 |
0.63 |
CC1(CCCCO1)C(=O)CCC=C
|
|
| MolPort-026-241-626 |
0.63 |
CC1(CCCO1)C(=O)CCC=C
|
|
| MolPort-027-564-867 |
0.63 |
[2H]C([2H])([2H])C(C)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CCC(O)=O)[C@@H]12
|
|
| MolPort-046-509-001 |
0.63 |
CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C)C(O)=O
|
|
| MolPort-039-338-507 |
0.63 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C)C(O)=O
|
|
| MolPort-046-762-565 |
0.63 |
CC(=O)OC1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C
|
|
| MolPort-006-665-999 |
0.63 |
CC(=O)OC1CCC2C3C=CC4=CC(=O)CCC4C3CC[C@]12C
|
|
| MolPort-027-720-499 |
0.63 |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MCULE-3728655247 |
0.63 |
O=CC1(COCCC1)CC1CC=CCC1
|
|
| MCULE-6024570055 |
0.63 |
CC1(C(=O)C(CC2CC=CC2)CO1)C
|
|
| MCULE-3359428604 |
0.63 |
C/C(/C)=C/CCC1C(=O)C(C)(C)OC1
|
|
| MCULE-1065163743 |
0.63 |
[C@]12([H])[C@@H](O)C[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)C(=O)COC(=O)C
|
|
| MCULE-5549232456 |
0.63 |
[C@]12(C)CC=C3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1C[C@@H](C)[C@]2(O)C(=O)COC(C)=O
|
|
| MCULE-2660227283 |
0.63 |
C12(C)CC=C3C(CCC4([H])CC(=O)CCC34C)C1CC(C)C2(O)C(=O)COC(C)=O
|
|
| MCULE-5339139192 |
0.63 |
[C@@]1(C(C)=C)([H])CC=C2[C@]3(C)C[C@@H](O)[C@H]([C@@H](CCC(=C)C(C)C)C(O)=O)[C@@]3(C)CC=C2[C@]1(CCC(=O)O)C
|
|
| MCULE-5733786329 |
0.63 |
C(C(=O)O)C[C@]1(C)C2=CC[C@]3(C)[C@@]([H])([C@H](C(=O)O)CC/C=C(/C)\C)[C@H](O)C[C@@]3(C)C2=CC[C@@]1([H])C(=C)C
|
|
| MCULE-7083098838 |
0.63 |
O=C(C12CCCC1C2)C1OCCCC=1
|
|
| MCULE-4846663089 |
0.63 |
O=C(C1OCCCC=1)C1CC2C(C2)CC1
|
|
| MCULE-6631619200 |
0.63 |
O=C(C12CCCCC1C2)C1OCCCC=1
|
|
| MCULE-4735662565 |
0.63 |
O=C(C1OCCCC=1)C1C2C(C2)CCC1
|
|
| MCULE-5957376137 |
0.63 |
O=C(C1OCCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
|
|
| MCULE-1133406846 |
0.63 |
C12=CC(CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(CCCCC)=O)[C@]3(CC1)C)C=C2C)OC(C)=O
|
|
| MCULE-8416626381 |
0.63 |
C/C(/C)=C/CCC1C(=O)COC1
|
|
| MCULE-3416493799 |
0.63 |
CC1C(CC/C=C(\C)/C)C(=O)CO1
|
|
| MCULE-7005445792 |
0.63 |
C1CC2(C)C(C(C(=O)O)(C)C1)CC=C1C2CC(OC(C)=O)C(C)(C=C)C1
|
|
| MCULE-9611860953 |
0.63 |
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-2246615794 |
0.63 |
C12C[C@H](O)[C@@]3([H])[C@@]4(C)CCC(=O)C[C@@]4(CC[C@]3(C)[C@@]1(C)CCC=2[C@H](C)C[C@H](O)[C@@]1([H])C(C)(C)O1)[H]
|
|
| MCULE-2014291882 |
0.63 |
C(OCC)(C1CC=C2C1(C)CCC1C2CCC2(O)CC(O)CCC21CO)=O
|
|
| MCULE-1660597451 |
0.63 |
CC(C1=C2C[C@@H]([C@@H]3[C@@](C)([C@H]2CC1)CC[C@@H]1[C@@]3(CCC(C1(C)C)=O)C)O)(C[C@@H]([C@@H]1C(C)(C)O1)O)C
|
|
| MCULE-4298463614 |
0.63 |
O=C1C(C)(C)[C@@]2([H])[C@]([C@]3([C@@](CC2)(C)[C@]2(C)C(=C(CC2)[C@H](C)C[C@H](O)[C@@H]2C(C)(C)O2)C[C@@H]3O)[H])(C)CC1
|
|
| MCULE-8058775334 |
0.63 |
C12(C)CCC(C=C1C=CC1([H])C3(C(C)(C4(CC3)CCC(=O)O4)CCC12[H])[H])=O
|
|
| MCULE-3370825749 |
0.63 |
[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 |
0.63 |
[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
|
|
| MolPort-002-508-940 |
0.63 |
CCCCCC(=O)O[C@@]1(CCC2C3C=C(C)C4=CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)C(C)=O
|
|
| MolPort-009-019-140 |
0.63 |
CCCC\C=C\C=C/C=C/CCCCCCCC(=O)OC
|
|
| MolPort-001-742-706 |
0.63 |
CC(=O)OC1CC2C(CC1(C)C=C)=CCC1C2(C)CCCC1(C)C(O)=O
|
|
| MolPort-044-559-905 |
0.63 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@]67CC[C@@H](C)[C@H](C)[C@H]6C6=CCC8[C@@]9(C)CCC(=O)C(C)(C)C9CC[C@@]8(C)[C@]6(C)CC7)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
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0.63 |
CCCOC(=O)C12CCC(C)(C)CC1C1=CCC3[C@@]4(C)CC(O)C(O)C(C)(C)C4CC[C@@]3(C)[C@@]1(C)CC2
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0.63 |
C[C@H](C[C@H](O)[C@H]1OC1(C)C)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1
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| MolPort-002-507-180 |
0.63 |
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
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0.63 |
CC12CCC3C(C=CC4=CC(=O)CCC34C)C1CCC21CCC(=O)O1
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C[C@]12CCC3[C@@H](C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
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0.63 |
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])\C=C/CCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(O)=O
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C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1\C=C\C(C)=O
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0.63 |
[2H]C([2H])(\C=C/CCCCCC)C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC(CCCCCCCCCCCCC)CCCC(O)=O
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CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
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CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@@]32C)C1(C)C
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C[C@H]1C[C@@H]2OC(=O)C(=C)C2CC=C1\C=C\C(C)=O
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CC(C)=C1C[C@@H]2O[C@@]2(C)CC\C=C(C)\CC1=O
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CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@@]32C)C1(C)C
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CC(C)=C1C[C@H]2O[C@@]2(C)CC\C=C(C)/CC1=O
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CCC\C=C\C=C\C1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO
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CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
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COC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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CC(=O)OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
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CC(=O)OCC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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CCCCCCCC\C=C/CCCCCCCC(=O)OCC
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CC1(O)OC[C@]23CC=C4[C@@H](CCC5CC(=O)CC[C@]45C)C2CC[C@H]13
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CC(=O)OCC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
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CCCCCC\C=C/CCCCCCCC(=O)OCC
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CCCCCCCCCC(=O)O[C@H]1CCC(=C)\C(C1)=C\C=C1/CCC[C@]2(C)[C@H](CCC12)[C@H](C)CCCC(C)C
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CCCCCCCC(=O)O[C@H]1CCC(=C)\C(C1)=C\C=C1/CCC[C@]2(C)[C@H](CCC12)[C@H](C)CCCC(C)C
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CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12
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O=C(C1OCCCC=1)C1CC2(CCC2)C1
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CC(C(C1OCCCC=1)=O)C1CCC1
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CC(C1C(C(C2OCCCC=2)=O)C1)(C)C
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C1([C@H](CO)C(=O)[C@H](O)[C@H](O)C1)/C=C/C=C/CCC
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O=C(C1OCCCC=1)C1C2(CC2)C1
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CC1C(C=CC(C)=O)=CCC2C(C(OC2C1)=O)=C
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O=CC1C(/C=C/C=C/CCC)CC(O)C(O)C1=O
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C1[C@@]2(O[C@@H]2C/C(=C(/C)\C)/C(=O)CC(C)=CC1)C
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C1C[C@]2(C)C3[C@@H](OC(=O)C)C[C@]4(C)[C@@H](C(=O)COC(=O)C)CCC4C3CCC2=CC1=O
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O=C(C1OCCCC=1)C1C(C2CC2)C1
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[C@@]12([H])OC(=O)C([C@@]1([H])CC=C(/C=C/C(=O)C)[C@@H](C)C2)=C
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C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2=C)=C1
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C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(OCC)=O)=O
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C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(=O)COC(C)=O
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C123C=CC1(CC1OC1C2)CCCC3
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C(CCC(=O)OCC)CCCCCCCCC=CCCCCCCCC
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C(CC(=O)OCC)CCCCCC=CCCCCCCCC
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C(CC(=O)OCC)CCCCC/C=C\CCCCCCCC
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C1(=O)CC2(C/C=C(\C)/CC(=O)/C=C(\C)/C)CC(=O)OC2CC1
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C12=CC[C@]3([H])[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@]4(CC[C@@]3(C)[C@]1(C)CC[C@]1(CC[C@@H](C)[C@H](C)[C@@]21[H])C(O)=O)[H]
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O=C1C=C(CCC2OCCCC2)CCC1
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O=C(OCC1CC=CCC1)CC1CCCC1
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C1CC=CC2C(C(OCC)=O)C2CC1
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O(C(C)=O)[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C(=O)O)CCC(C)(C)C[C@H]4C3=CC[C@@H]12
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O=C1C=C(CCC2OCCCC2)CC1
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[C@@]12(C)CC[C@]3(CCC(C)(C)C[C@@]3([H])C1=CC[C@]1([H])[C@@]3([C@]([H])(C(C)(C)[C@H](CC3)OC(C)=O)CC[C@@]21C)C)C(O)=O
|
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0.62 |
C1(C[C@H](O)C[C@@H](CC[C@H]2[C@@H](C)C=CC3=CCC[C@H](OC([C@@H](C)CC)=O)[C@@]32[H])O1)=O
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0.62 |
C12=C[C@H](C)C[C@H](OC([C@@H](C)CC)=O)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
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C1[C@H](OC([C@@H](C)CC)=O)[C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)=C[C@@H]1C
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C12=CC(C)CC(OC(C(C)CC)=O)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
|
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0.62 |
C12=CC(CC[C@]1(C)C1C(C3CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)OC(C)C
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0.62 |
C12=CC(C)CC(OC(=O)C(C)(C)CC)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
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0.62 |
C12=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
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CCC(C(OC1C2C(C=CC(C2CCC2OC(=O)CC(O)C2)C)=CCC1)=O)C
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CC[C@@H](C(=O)O[C@@H]1[C@@]2([H])C(C=C[C@@H]([C@@H]2CC[C@H]2OC(=O)C[C@H](O)C2)C)=CCC1)C
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C12=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@]1([H])[C@H]([C@@H](C)C=C2)CC[C@@H]1C[C@@H](O)CC(=O)O1
|
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0.62 |
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
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| MCULE-5613497776 |
0.62 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)C(C)(C)C
|
|
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0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(CC)=O)[H]
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| MCULE-1094526426 |
0.62 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCC)=O
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0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCCC)=O)[H]
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| MCULE-1555066285 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CCCCC)=O)[H]
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| MCULE-7225794462 |
0.62 |
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-4960489764 |
0.62 |
C1[C@@H]([C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)CC1)OC([C@@H](C)CC)=O
|
|
| MCULE-5653473871 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@]2(C(C)=O)OC(CC)=O)[H]
|
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| MCULE-1252077735 |
0.62 |
C1CC23CC(=O)OC(=O)C2(CCCC3)CC=1
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|
| MCULE-8140512979 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(=O)C(C)(C)C)[H]
|
|
| MCULE-7519944367 |
0.62 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCCC)=O
|
|
| MCULE-5907023439 |
0.62 |
[C@]1(C(=O)C)(OC(=O)CCCCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4([H])[C@@]3([H])CC[C@]12C
|
|
| MCULE-2997418374 |
0.62 |
C(OCC(CC)CCCC)(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-5174909262 |
0.62 |
C(CCCCCCCC=CCCCCCCCC)(OCCCC)=O
|
|
| MCULE-1401500807 |
0.62 |
O=C1C(CC2CC=CCC2)COCC1
|
|
| MCULE-1124335251 |
0.62 |
C(OC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCCC
|
|
| MCULE-3541447914 |
0.62 |
C(=O)(OCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-5715586535 |
0.62 |
C12(C3C=CC(C45C=CC34CC=CC5)C1([H])COC2)[H]
|
|
| MCULE-4329306127 |
0.62 |
C[C@]12C[C@H](O)[C@]3([H])[C@]4(CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1)C
|
|
| MCULE-4484538949 |
0.62 |
C1C[C@]2(C)C3[C@@H](O)C[C@]4(C)[C@@](O)(C(=O)COC(CCC)=O)CCC4C3CCC2=CC1=O
|
|
| MCULE-5966997792 |
0.62 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(=O)COC(CC)=O)[H]
|
|
| MCULE-5307843642 |
0.62 |
C1[C@@]2(C)C(CC[C@]3([H])[C@]2([H])[C@H](O)C[C@@]2(C)[C@@]3([H])CC[C@]2(O)C(COC(=O)CCC)=O)=CC(=O)C1
|
|
| MCULE-8967422657 |
0.62 |
O1C(C)(C)CCCC1(C)C(=O)C=CCC
|
|
| MCULE-8924549531 |
0.62 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@H](C(O)=O)CCC(=C)C(C)C)[C@H](O)C[C@@]4(C)C=3CC[C@@]2([H])C(C)(C)[C@H]1OC(C)=O
|
|
| MCULE-8274191901 |
0.62 |
[C@@]12(C)C[C@H]([C@]([H])([C@H](C(=O)O)CCC(=C)C(C)C)[C@@]1(C)CCC1[C@@]3(C)CC[C@H](OC(=O)C)C(C)(C)[C@]3([H])CCC2=1)O
|
|
| MCULE-1541926426 |
0.62 |
C1C[C@]2(C)C3=CC[C@@]4([C@@]([C@@H](C[C@@]4(C)C3=CC[C@@]2([H])C([C@H]1O)(C)C)O)([H])[C@H](C(O)=O)CCC(=C)C(C)C)C
|
|
| MCULE-5131625833 |
0.62 |
CCC/C=C/C=C/C(C(C(O)=O)CO)CCC(=O)OC
|
|
| MCULE-9335291007 |
0.62 |
CC1(C(=O)CC[C@@]2(C)[C@H]1CC=C1[C@@]3(C)[C@]([C@H]([C@@H](C3)O)[C@H](C(=O)O)CCC(C(C)C)=C)(C)CC=C12)C
|
|
| MCULE-6259050360 |
0.62 |
[C@@]12(C)CCC(C(C)CCC(O)=O)[C@@]1(C)CCC1[C@@]3(C(C(C)(C)C(CC3)OC(C)=O)CCC2=1)C
|
|
| MCULE-8982382729 |
0.62 |
C12[C@H](C)C[C@]3([C@@]([H])(CC[C@]4([H])C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])CCC=2C(C)CCC(OC)=O)[H]
|
|
| MolPort-046-596-250 |
0.62 |
CCC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-006-113-131 |
0.62 |
CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-002-529-998 |
0.62 |
CCC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-529-231 |
0.62 |
CCCCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
|
|
| MolPort-002-527-902 |
0.62 |
CC(C)(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-596-421 |
0.62 |
CCCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-046-596-379 |
0.62 |
CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-038-386-485 |
0.62 |
CC[C@H](C)C(=O)O[C@H]1CCCC2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-046-689-506 |
0.62 |
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
|
|
| MolPort-001-512-555 |
0.62 |
CCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-000-831-808 |
0.62 |
CCCCCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-000-730-791 |
0.62 |
CCCCCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(C)=O
|
|
| MolPort-000-700-526 |
0.62 |
CC(C)(C)C(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-006-114-296 |
0.62 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
|
|
| MolPort-002-528-065 |
0.62 |
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
|
|
| MolPort-027-849-378 |
0.62 |
CCC(=O)O[C@@]1(CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-046-793-309 |
0.62 |
CCCCCCCCCCOC(=O)CCCCCCC\C=C\CCCCCCCC
|
|
| MolPort-044-183-353 |
0.62 |
CCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-044-183-360 |
0.62 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
|
|
| MolPort-044-183-363 |
0.62 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
|
|
| MolPort-044-183-372 |
0.62 |
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
|
|
| MolPort-001-783-805 |
0.62 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCCCC
|
|
| MolPort-044-561-383 |
0.62 |
CCCCCCCCCC(CCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-044-561-392 |
0.62 |
CCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
|
|
| MolPort-044-561-394 |
0.62 |
CCCCCC\C=C/CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
|
|
| MolPort-046-793-308 |
0.62 |
CCCCCCCOC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-006-115-611 |
0.62 |
CCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-044-561-662 |
0.62 |
CCCCCCCCC(CCCCCCCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
|
|
| MolPort-044-561-663 |
0.62 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
|
|
| MolPort-006-124-971 |
0.62 |
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)CCCC
|
|
| MolPort-006-127-334 |
0.62 |
CCCCCCCCCCCCOC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-002-522-118 |
0.62 |
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-046-596-362 |
0.62 |
CCC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3C(O)C[C@]12C
|
|
| MolPort-046-689-265 |
0.62 |
C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
|
|
| MolPort-006-111-530 |
0.62 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC1CCCC1
|
|
| MolPort-006-118-258 |
0.62 |
CCCC(=O)OCC(=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-006-069-345 |
0.62 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-044-562-376 |
0.62 |
CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-002-135-205 |
0.62 |
CC\C=C\C(=O)C1(C)CCCC(C)(C)O1
|
|
| MolPort-026-241-833 |
0.62 |
CC1(CCCO1)C(=O)CCCC=C
|
|
| MolPort-046-691-378 |
0.62 |
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
|
|
| MolPort-019-931-722 |
0.62 |
CCC\C=C\C=C\C(CCC(=O)OC)C(CO)C(O)=O
|
|
| MolPort-039-338-508 |
0.62 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
|
|
| MolPort-039-339-024 |
0.62 |
CC(C)=CCC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
|
|
| MolPort-039-338-560 |
0.62 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
|
|
| MolPort-039-338-563 |
0.62 |
CC(C)C(=C)CC[C@H]([C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O
|
|
| MolPort-008-346-698 |
0.62 |
CC(CCC(O)=O)C1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(OC(C)=O)C(C)(C)C1CC3
|
|
| MolPort-002-510-983 |
0.61 |
COC(=O)CC1(C)OC2CCCCC2C2C=CCCC12
|
|
| MolPort-046-596-236 |
0.61 |
CC(=O)O[C@@]1(CCC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-002-527-421 |
0.61 |
CC(=O)O[C@@]1(CCC2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)=O
|
|
| MolPort-035-683-228 |
0.61 |
CC(C)C1=CC2=CCC3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
|
|
| MolPort-001-781-437 |
0.61 |
CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(O)=O)C2CC1
|
|
| MolPort-002-507-350 |
0.61 |
CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
|
|
| MolPort-023-221-456 |
0.61 |
CC(C)C1=CC2=CCC3[C@](C)(CCC[C@]3(C)C(O)=O)[C@@H]2CC1
|
|
| MolPort-046-590-621 |
0.61 |
CCOC(=O)[C@H]1[C@H]2CC\C=C/CC[C@@H]12
|
|
| MolPort-028-606-852 |
0.61 |
CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C([O-])=O)C2CC1
|
|
| MolPort-046-591-674 |
0.61 |
CCOC(=O)C1C2CC\C=C/CCC12
|
|
| MolPort-035-784-535 |
0.61 |
CCOC(=O)[C@@H]1[C@H]2CC\C=C/CC[C@@H]12
|
|
| MolPort-046-764-838 |
0.61 |
[Na+].CCC(C)(C)C(=O)O[C@H]1CC(CO)C=C2C=C[C@H](C)[C@H](CC[C@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
|
|
| MolPort-046-689-350 |
0.61 |
C[C@@H]1C[C@H](OC(=O)C(C)(C)C=C)[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1
|
|
| MolPort-044-649-784 |
0.61 |
COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[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-044-649-712 |
0.61 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[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-046-592-361 |
0.61 |
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CCC3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
|
|
| MolPort-001-742-502 |
0.61 |
COC(=O)C12CCC(C)C(C)C1C1=CCC3C4(C)CCC(OC(C)=O)C(C)(C)C4CCC3(C)C1(C)CC2
|
|
| MolPort-046-761-006 |
0.61 |
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@@H]2O[C@@H]2[C@@]2(C)[C@@H]4CC(C)(C)CC[C@]4(C)CC=C32)C1(C)C
|
|
| MolPort-046-156-417 |
0.61 |
C[C@@]12C[C@@H](OC1=O)[C@]1(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]1C2
|
|
| MolPort-000-718-038 |
0.61 |
CC(C)=CCCC1=CCC2C(C1)C(=O)OC2=O
|
|
| MolPort-002-529-818 |
0.61 |
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-006-123-274 |
0.61 |
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(C)=O
|
|
| MolPort-002-510-818 |
0.61 |
CC(=O)O[C@]1(C(C)=O)C(=C)CC2C3CC(=C)C4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-003-941-574 |
0.61 |
CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
|
|
| MolPort-046-692-277 |
0.61 |
CCCC(=O)O[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)C1=O
|
|
| MolPort-046-689-953 |
0.61 |
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)CO
|
|
| MCULE-8638278493 |
0.61 |
O=C(OC1(CCCCC1)C)C1CC2CC1C=C2
|
|
| MCULE-9975844805 |
0.61 |
O=C(OC1(C2CC3CC(C2)CC1C3)C)C1CC2CC1C=C2
|
|
| MCULE-1292912968 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CCC4=C[C@@H](O)CC[C@]34C)C1CC[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-5598436575 |
0.61 |
C(C)(=O)OC1CC2(CC=C3C(=CC(C4(C)C(C(C)CCC(OC)=O)CCC43)=O)C2(C)CC1)[H]
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|
| MCULE-2457325018 |
0.61 |
C1CC(CCCCC(OCC)=O)CCC=1C
|
|
| MCULE-8629208814 |
0.61 |
O=CC1(CCOCC1)CC1CC=CCC1
|
|
| MCULE-8247739375 |
0.61 |
C12=CCC3C(C)(CCC4C(C(OC(C)=O)CCC34C)(C)C)C1(C)CCC1(CCC(C)C(C)C21)C(OC)=O
|
|
| MCULE-7071448896 |
0.61 |
O=C(C1OCCC=1)C1CCC2(CC2)CC1
|
|
| MCULE-2662745028 |
0.61 |
C[C@@]12[C@H]3C(C=C4[C@@H]5C[C@@]6(C)C(=O)O[C@@H]([C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]1C(C)(C)[C@@H](O)CC2)C6)=O
|
|
| MCULE-5246840558 |
0.61 |
[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]
|
|
| MCULE-6899994435 |
0.61 |
O=C(C1OCCC=1)C1CC2(CC2)CCC1
|
|
| MCULE-5816353779 |
0.61 |
O1C(=O)C2C(CC(=CC2)CC/C=C(\C)/C)C1=O
|
|
| MCULE-6481401182 |
0.61 |
[C@]12(C)CCC3C(CC(C4=CC(=O)CC[C@@]43C)=C)C1CC(=C)[C@@]2(C(C)=O)OC(C)=O
|
|
| MCULE-5041290339 |
0.61 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(OC(CCC)=O)C(CO)=O
|
|
| MCULE-2614241915 |
0.61 |
C[C@]12C[C@H](O)[C@]3([H])[C@]4(C=CC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@]2(C(=O)C)OC(=O)CC)C
|
|
| MCULE-3492234187 |
0.61 |
O(C1(CCC2([H])C3([H])CCC4=CC(=O)CCC4(C)C3([H])C(O)CC12C)C(=O)CO)C(=O)CCCC
|
|
| MCULE-2307310731 |
0.61 |
[C@]1(C(=O)CO)(OC(=O)CCC)CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C
|
|
| MCULE-3859706810 |
0.61 |
[H][C@]12[C@@]3(CCC4[C@@](C)([C@@]3([H])[C@@H](O)C[C@]1(C)[C@](C(CO)=O)(OC(CCC)=O)CC2)CCC(=O)C=4)[H]
|
|
| MCULE-7211931015 |
0.61 |
C12=C[C@@H](CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)[H])OC(CCC)=O
|
|
| MCULE-3134302963 |
0.61 |
C(OC(=O)CCCCCCCC=CCCCCCCCC)(=O)CCCCCCCC=CCCCCCCCC
|
|
| MCULE-4945759027 |
0.61 |
OC(C1(CC=CC1)CC1COCC1)=O
|
|
| MCULE-1938313770 |
0.61 |
O=C1C2C3CC(C4C3O4)C2C(C2C3CC(C=C3)C21)=O
|
|
| MCULE-7427942194 |
0.61 |
C(C1CCCC=C1)(=O)C(OCC)OCC
|
|
| MCULE-3146262991 |
0.61 |
C1=CC2C3C=C(C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-6074226479 |
0.61 |
C1=CC2C3C4CCCCC=4C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-6690425983 |
0.61 |
C1=CC2C3C(C)=C(C)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-2603538836 |
0.61 |
C12C(C(=O)OC1=O)C1C=CC2C23CCCCC12C=C3
|
|
| MCULE-8643661135 |
0.61 |
O=C1C2C3C4C=CC4C(C=C3)C2C(=O)O1
|
|
| MCULE-7226741017 |
0.61 |
C12(C3C=CC(C45C=CC34CC=CC5)C1([H])C(=O)OC2=O)[H]
|
|
| MCULE-2754580936 |
0.61 |
C/C(/C)=C/CC([C@H](C(C)=O)[C@@H]1[C@@]2(C)CC=C3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]1O)=C
|
|
| MCULE-7076095662 |
0.61 |
O=C(C1CCCC1)OCC1CC=CCC1
|
|
| MCULE-7633282937 |
0.61 |
C1CC2(C)C3=CCC4(C)C(C(CCC(O)C(O)(C)C)C)CC(O)C4(C)C3=CCC2C(C)(C)C1=O
|
|
| MCULE-9253743476 |
0.61 |
CC1([C@H](OC(=O)C)CC[C@@]2(C)[C@H]1CCC1[C@@]3(C)[C@]([C@@H]([C@H](C(=O)O)CC/C=C(/C)\C)CC3)(C)CCC=12)C
|
|
| MCULE-6834807417 |
0.61 |
C1C2(CCOC(C)(C)C2)CCC(=O)C=1
|
|
| MCULE-3124657861 |
0.61 |
C1[C@]2(CCOC(C)(C)C2)CCC(=O)C=1
|
|
| MCULE-5485844450 |
0.61 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1OC(=O)C
|
|
| MCULE-3583239018 |
0.61 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(=C)C2=C1)OC(C)=O
|
|
| MCULE-3353701926 |
0.61 |
O1C2C1C1CC2C2C1C(C=CC2=O)=O
|
|
| MCULE-3756805391 |
0.61 |
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-5590913017 |
0.61 |
C1C(C)C2(C)CC(O)C(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MolPort-046-765-409 |
0.61 |
C[C@]12CC=C3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-027-836-920 |
0.61 |
C[C@]12CC=C3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
|
|
| MolPort-046-597-649 |
0.61 |
CCCC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
|
|
| MolPort-002-529-747 |
0.61 |
CCCC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
|
|
| MolPort-003-938-896 |
0.61 |
CCCCCCCC\C=C/CCCCCCCC(=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
|
|
| MolPort-046-761-060 |
0.61 |
CCCCCC(O)\C=C\C=C/CCCCCCCC(=O)OC
|
|
| MolPort-039-138-868 |
0.61 |
CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(=O)OC
|
|
| MolPort-021-782-997 |
0.61 |
CCCCCCCC\C=C\CCCCCCCC(=O)OC(=O)CCCCCCC\C=C\CCCCCCCC
|
|
| MolPort-003-941-230 |
0.61 |
CC[C@@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)\C=C(/C)C[C@H](C)[C@@H]1OC(=O)[C@H]1C
|
|
| MolPort-001-917-870 |
0.61 |
CC1(C)CC2(CCO1)CCC(=O)C=C2
|
|
| MolPort-039-339-016 |
0.61 |
CC(C)=CCC[C@H]([C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(O)=O
|
|
| MolPort-002-800-509 |
0.61 |
CC(C)(C)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1
|
|
| MolPort-044-637-463 |
0.61 |
CC(C)=CCCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(OC(C)=O)C(C)(C)C1CC3)C(O)=O
|
|
| MolPort-046-153-164 |
0.61 |
CC(CCC(O)C(C)(C)O)C1CC(O)C2(C)C3=CCC4C(C)(C)C(=O)CCC4(C)C3=CCC12C
|
|
| MolPort-046-067-613 |
0.61 |
CC1(C)C[C@@]2(CCO1)CCC(=O)C=C2
|
|
| MolPort-046-697-187 |
0.61 |
CC1CC=C2C(C)C1(C)CC(O)\C(C)=C\CCC1(C)OC1C2=O
|
|
| MolPort-044-649-739 |
0.61 |
C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)OC[C@](C)(C=O)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
|
|
| MolPort-019-940-195 |
0.60 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CCC4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
|
|
| MolPort-046-690-965 |
0.60 |
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](CC(=O)O3)OC)[C@@H]12
|
|
| MolPort-002-507-110 |
0.60 |
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
|
|
| MolPort-046-763-348 |
0.60 |
CCOC1=CC2=CC[C@H]3[C@H]4CC[C@@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1
|
|
| MolPort-002-528-059 |
0.60 |
CC(=O)OC1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(OC(C)=O)C(C)=O)[C@@H]3C=C(C)C2=C1
|
|
| MolPort-027-846-990 |
0.60 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
|
|
| MolPort-046-763-347 |
0.60 |
CCOC1=CC2=CC[C@H]3[C@H]4CC[C@@](O)(C(=O)COC(C)=O)[C@@]4(C)C[C@H](O)[C@H]3[C@@]2(C)CC1
|
|
| MolPort-046-690-128 |
0.60 |
CC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C
|
|
| MolPort-002-511-489 |
0.60 |
CC\C=C/C=C/CCCCCCOC(C)=O
|
|
| MolPort-039-339-168 |
0.60 |
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
|
|
| MolPort-005-938-238 |
0.60 |
CC(C)(C)OC(=O)C1CC2CC1C=C2
|
|
| MolPort-039-338-562 |
0.60 |
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
|
|
| MolPort-046-793-096 |
0.60 |
CC(=O)[C@H]1CC[C@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-793-877 |
0.60 |
CCOC(=O)C1CC2CC1C=C2
|
|
| MolPort-006-109-476 |
0.60 |
CC\C=C\C=C/CCCCCCCCOC(C)=O
|
|
| MolPort-046-418-969 |
0.60 |
CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
|
|
| MolPort-000-713-964 |
0.60 |
COC1=CC2=CCC3C4CC[C@@]5(CCC(=O)O5)C4(C)CCC3C2(C)CC1
|
|
| MolPort-046-793-139 |
0.60 |
CCC(=O)OC1(CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
|
|
| MolPort-002-691-856 |
0.60 |
CC1=CC2C3C(C4C3C(=O)OC4=O)C1C1C2C(=O)OC1=O
|
|
| MolPort-001-742-444 |
0.60 |
COC(=O)C(=C)[C@@H]1CC=C2C=CC(=O)[C@H](C)[C@@]2(C)C1
|
|
| MolPort-002-510-911 |
0.60 |
COC1=CC2=CC[C@H]3C4CC[C@@]5(CCC(=O)O5)[C@@]4(C)CCC3[C@@]2(C)CC1
|
|
| MolPort-002-507-221 |
0.60 |
COC1=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-046-689-952 |
0.60 |
CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
|
|
| MolPort-006-137-767 |
0.60 |
CCCC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)CC
|
|
| MolPort-019-937-338 |
0.60 |
C[C@H]1[C@H]2OC(=O)[C@@H]1[C@@]1(C)C([C@H]2O)[C@@]2(C)C(=O)C=C(C)C2=CC1=O
|
|
| MolPort-002-526-404 |
0.60 |
CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(C[C@H]5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-046-596-357 |
0.60 |
CC(=O)OC1CC[C@]2(C)C3CC[C@]4(C)[C@@H]5O[C@@]5(CC4C3CC=C2C1)C(C)=O
|
|
| MolPort-006-126-876 |
0.60 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-046-596-572 |
0.60 |
CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(=CC=C4C(C)=O)C3CC=C2C1
|
|
| MolPort-002-511-376 |
0.60 |
CC1CC(CCC=C(C)C)=CCC1COC(C)=O
|
|
| MolPort-046-689-231 |
0.60 |
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-002-528-928 |
0.60 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=CC=C4C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-007-980-828 |
0.60 |
CC(=O)OC1CCC2(C)C3CCC4(C)[C@@H]5O[C@@]5(CC4C3CC=C2C1)C(C)=O
|
|
| MolPort-046-765-468 |
0.60 |
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-035-706-392 |
0.60 |
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
|
|
| MolPort-035-706-216 |
0.60 |
COC(=O)C(=C)[C@@H]1CC[C@@]2(C)CCCC(C)=C2C1
|
|
| MolPort-010-969-193 |
0.60 |
CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5OC45C(C)=O)C3CC=C2C1
|
|
| MolPort-046-697-238 |
0.60 |
CCCC(=O)C1(C)OC(=O)C2(C)C1C=CC1C(O)C(C)CCC21
|
|
| MolPort-027-948-624 |
0.60 |
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC5O[C@@]45C(C)=O)[C@@H]3CC=C2C1
|
|
| MolPort-038-386-633 |
0.60 |
CC(=O)C1OC(=O)CC2C3CCC4=CC(=O)C=CC4(C)C3CCC12C
|
|
| MCULE-6114611450 |
0.60 |
C12=C[C@@H](CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@@](C(C)=O)(OC(C)=O)[C@]3(CC1)C)C=C2C)[H])OC(C)=O
|
|
| MCULE-7623122514 |
0.60 |
C12=CC(CCC1(C)C1C(C3CCC(C(C)=O)(OC(C)=O)C3(CC1)C)C=C2C)OC(C)=O
|
|
| MCULE-4887084385 |
0.60 |
C(CCCOC(=O)C)CCCC=CC=CC
|
|
| MCULE-4868794833 |
0.60 |
O=CC1(COCCC1)CC1CC=CC1
|
|
| MCULE-2496032129 |
0.60 |
OC(C1(CC=CC1)CC1CCOCC1)=O
|
|
| MCULE-4622236046 |
0.60 |
O=C(C1CCOCC1)CC1CC=CCC1
|
|
| MCULE-1853994027 |
0.60 |
CC1(C(C2C=CCCC2)(C=O)CCO1)C
|
|
| MCULE-6020138869 |
0.60 |
C1C2CC(CC2C(=O)OC(C)(C)C)C=1
|
|
| MCULE-2766753223 |
0.60 |
C(=O)(OC(C)C)C1CC2CC1C=C2
|
|
| MCULE-4463064740 |
0.60 |
C(OCC)(C1CC2CC1C=C2)=O
|
|
| MCULE-9683452020 |
0.60 |
C12C3C(C)=CC(C4C3C3C4C(OC3=O)=O)C1C(OC2=O)=O
|
|
| MCULE-5917433710 |
0.60 |
O=C(C1OCCC=1)C1C2(CCOCC2)C1
|
|
| MCULE-1972388021 |
0.60 |
O=C(C1OCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
|
|
| MCULE-4172276793 |
0.60 |
O=C(C12CCCC1C2)C1OCCC=1
|
|
| MCULE-6809618026 |
0.60 |
C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(CC4C3CC=C2C1)OC(C)=O)=O
|
|
| MCULE-1689029135 |
0.60 |
O=C(C1OCCC=1)C1C2C(C2)CCC1
|
|
| MCULE-4136441831 |
0.60 |
C12(C)CCC(=CC1=CCC1([H])C2([H])CCC2(C1([H])CCC12CCC(=O)O1)C)OC
|
|
| MCULE-7276862551 |
0.60 |
[C@@]1(OC(=O)CCC)(C(=O)COC(=O)C)CC[C@@]2([H])[C@]3([H])C[C@@H](C4=CC(=O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)C
|
|
| MCULE-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-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-3933385900 |
0.60 |
[C@]12(C(C)=O)[C@H](O1)CC1[C@]3(C(CC[C@]21C)[C@@]1(C)CC[C@@H](CC1=CC3)OC(C)=O)[H]
|
|
| MCULE-3490442378 |
0.60 |
C1C[C@]2(C)CC[C@@H](C(C(=O)OC)=C)CC2=C(C)C1
|
|
| MCULE-9777116319 |
0.60 |
C1CC2(C(CCCC2)(CC=1)C(OC)=O)CCC(OC)=O
|
|
| MCULE-8824249409 |
0.60 |
C1=CC2C3C=C(C4CC4)C3C1C1C(=O)OC(=O)C12
|
|
| MCULE-7100298727 |
0.60 |
COC([C@H]1[C@H]2C=C[C@H](CC2)C1)=O
|
|
| MCULE-2016791403 |
0.60 |
C(O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]5(C(C)=O)[C@@]([H])(C[C@@]4([H])[C@]3([H])CC=C2C1)O5)(=O)C
|
|
| MCULE-8588952182 |
0.60 |
O1C2CCC=CCCC=CCCC12
|
|
| MCULE-9287144806 |
0.60 |
C1=CC2(C)C3CCC4(C)C(C(C)=O)OC(=O)CC4C3CCC2=CC1=O
|
|
| MCULE-6799150619 |
0.60 |
C1(CC/C=C(/C)\C)CC(C)C(CC=1)COC(C)=O
|
|
| MCULE-2392051619 |
0.60 |
C1C=CC23CC(OC)C2(CCCC3)C=1
|
|
| MCULE-6809736977 |
0.60 |
COC(C1C2C=CC(CC2)C1)=O
|
|
| MCULE-2095449953 |
0.60 |
C12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(C3)OC(C)=O)C1O2
|
|
| MCULE-4894937500 |
0.60 |
[H]C12C=CCCC1(C)C1CC(C3(C)C(C(C)CCC(OC)=O)CCC3C1CC2)OC(C)=O
|
|
| MCULE-7839875220 |
0.60 |
C1=CC23CCCCC2(C(=O)OC3=O)C=C1
|
|
| MCULE-1975394311 |
0.60 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1=CC=C2C(C)=O
|
|
| MCULE-1684395189 |
0.60 |
C1=CC2C(C(CCC2C2(C)C1C(C)(C(CCC)=O)OC2=O)C)O
|
|
| MCULE-2971649214 |
0.60 |
CC(OC1CC2C(C3C(CC=2)C2CC4C(C(=O)C)(C2(C)CC3)O4)(C)CC1)=O
|
|
| MCULE-7195812349 |
0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@H](CC[C@]34C)OC(C)=O)C1=CC=C2C(C)=O)[H]
|
|
| MCULE-1172054424 |
0.60 |
[C@@]12(C(C)=O)CC3C(C)(CCC4C3CC=C3C4(C)CCC(C3)OC(C)=O)[C@@H]1O2
|
|
| MCULE-9723128082 |
0.60 |
C12CC(C=C1)CC2C(OC1(C)CCCC1)=O
|
|
| MCULE-7150467746 |
0.60 |
O=C(C1CCCC=1)C1C2(CCOCC2)C1
|
|
| MCULE-7442709707 |
0.60 |
C(C)(=O)OC1CCC2(C)C3C=CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1
|
|
| MCULE-2841725041 |
0.60 |
O=C(C1C2C1COC2)CC1CC=CCC1
|
|
| MCULE-3580664146 |
0.60 |
C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2C)=C1
|
|
| MCULE-7500403231 |
0.60 |
[C@@]123[C@@]([H])(CCC4=CC(=O)CC[C@]14C)C1CC[C@](O)(C(CO)=O)[C@]1(C[C@@H]2O3)C
|
|
| MCULE-1625834654 |
0.60 |
C123C(CCC4=CC(=O)CCC14C)C1CCC(O)(C(CO)=O)C1(CC2O3)C
|
|
| MCULE-8974355339 |
0.60 |
C12=CC(CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@](OC(C)=O)(C(=O)COC(C)=O)[C@]3(CC1)C)CC2=C)[H])=O
|
|
| MCULE-9103372368 |
0.60 |
C1(=O)C2C3CCC(C=C3)C2C(=O)O1
|
|
| MCULE-1087443932 |
0.60 |
C1CC2C3C(=O)OC(=O)C3C3CCCCC3=C2CC1
|
|
| MCULE-8388945163 |
0.60 |
CC(C(C1OCCC=1)=O)C1CCC1
|
|
| MCULE-2846121944 |
0.60 |
O=C(C1OCCC=1)C1C2(CC2)C1
|
|
| MCULE-5727001856 |
0.60 |
O=C(C12COCC1C2)C1CCCCCC=1
|
|
| MCULE-5992430674 |
0.60 |
C12(C)CCC(=CC1=CCC1([H])C2CCC2(C1CCC2=O)C)OC
|
|
| MCULE-2122490766 |
0.60 |
C1CC23CCCCC2(C(=O)OC3=O)C2CCCCC=12
|
|
| MCULE-5454494701 |
0.60 |
C123CCC4C(C)(CCCC4(C)C(O)=O)C1CC(C1C(OC(=O)C21)=O)C(C(C)C)=C3
|
|
| MCULE-4828595963 |
0.60 |
[C@]12(C)CCC(=CC1=CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)OC
|
|
| MCULE-5053755296 |
0.60 |
C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1C
|
|
| MCULE-9407663226 |
0.60 |
O=C(C12COCC1C2)C1CCCC=1
|
|
| MCULE-8776636782 |
0.60 |
C1CC23C(=O)OC(=O)C2(CCCC3)CC=1
|
|
| MCULE-9683137463 |
0.60 |
CC1CC(C(C2OCCCC=2)=O)C1
|
|
| MCULE-8868589151 |
0.60 |
C1(C)CC23CCCCC2(C(=O)OC3=O)CC=1
|
|
| MCULE-3930781117 |
0.60 |
O=C(C12COCC1C2)C1CCCCC=1
|
|
| MCULE-2469940549 |
0.60 |
CC(C1C(C(C2OCCC=2)=O)C1)(C)C
|
|
| MCULE-9695902470 |
0.60 |
C1(C)(C)C(C)=CCC1CC(O)CC(=O)C(C)C(=O)OCC
|
|
| MCULE-2873851707 |
0.60 |
OC(C1(CC=CC1)CC1OCCCC1)=O
|
|
| MCULE-2039968402 |
0.60 |
C12(C)CCC(C(C)(C)C1C=CC1C3C(C)(C(CC3)OC(C)=O)CCC21)=O
|
|
| MCULE-8526293555 |
0.60 |
C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C)CC(=O)OC
|
|
| MCULE-1537420527 |
0.60 |
[C@]12(C)CCC3C(CCC4=CC(O)CC[C@]34C)C1CC[C@H]2[C@@H](C)CCC(OCC)=O
|
|
| MCULE-5385888311 |
0.60 |
CC1OC(CC2(C(O)=O)CC=CC2)CC1
|
|
| MCULE-9037199231 |
0.60 |
OC(C1(CC=CC1)CC1OCCC1)=O
|
|
| MCULE-4591747967 |
0.60 |
CC(CCC1C(=O)COC1)=C
|
|
| MCULE-2242115329 |
0.60 |
CC1C(CCC(C)=C)C(=O)CO1
|
|
| MCULE-8392723345 |
0.60 |
C12CC=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)O)C)(C)C(=O)OC
|
|
