SANC00422 Sodwanone Q




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
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
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
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
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
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
MolPort-035-706-385 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
MolPort-046-793-306 0.65 CCCCCCCCCC(=O)OCCC(C)CC\C=C(/C)CCC=C(C)C
MolPort-046-761-474 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
MCULE-3655751389 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
MolPort-020-005-756 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
MolPort-000-720-153 0.65 CC(=O)[C@@]12O[C@@H]1CC1C3CCC4=CC(=O)CCC4(C)C3CCC21C
MolPort-046-596-327 0.65 CC(=O)[C@@]12O[C@]1(C)CC1C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]21C
MolPort-035-706-526 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
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
MolPort-002-508-454 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
MolPort-027-836-480 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
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
MolPort-001-633-124 0.63 CC12CCC3C(C=CC4=CC(=O)CCC34C)C1CCC21CCC(=O)O1
MolPort-002-524-375 0.63 C[C@]12CCC3[C@@H](C=CC4=CC(=O)CC[C@]34C)C1CC[C@@]21CCC(=O)O1
MolPort-044-183-375 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
MolPort-039-052-387 0.63 C[C@H]1C[C@@H]2OC(=O)C(=C)[C@H]2CC=C1\C=C\C(C)=O
MolPort-044-183-373 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
MolPort-044-183-364 0.63 CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
MolPort-028-754-123 0.63 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
MolPort-044-831-066 0.63 C[C@H]1C[C@@H]2OC(=O)C(=C)C2CC=C1\C=C\C(C)=O
MolPort-046-158-426 0.63 CC(C)=C1C[C@@H]2O[C@@]2(C)CC\C=C(C)\CC1=O
MolPort-035-706-457 0.63 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
MolPort-046-153-738 0.63 CC(C)=C1C[C@H]2O[C@@]2(C)CC\C=C(C)/CC1=O
MolPort-001-739-398 0.63 CCC\C=C\C=C\C1C[C@@H](O)[C@@H](O)C(=O)[C@H]1CO
MolPort-044-561-396 0.63 CCCCCCCCCCCCCC(CCCC(O)=O)OC(=O)CCCCCCC\C=C/CCCCCC
MolPort-046-763-810 0.62 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
MolPort-000-691-653 0.62 CC(=O)OCC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
MolPort-002-526-754 0.62 CC(=O)OCC(=O)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-001-788-276 0.62 CCCCCCCC\C=C/CCCCCCCC(=O)OCC
MolPort-002-525-721 0.62 CC1(O)OC[C@]23CC=C4[C@@H](CCC5CC(=O)CC[C@]45C)C2CC[C@H]13
MolPort-002-810-764 0.62 CC(=O)OCC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-762-520 0.62 CC(=O)O[C@]1(CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)=O
MolPort-006-130-881 0.62 CCCCCC\C=C/CCCCCCCC(=O)OCC
MolPort-046-691-203 0.62 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
MolPort-046-691-202 0.62 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
MolPort-039-052-417 0.62 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[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-028-196-343 0.62 O=C(CC1CCCC1)OCC1CCC=CC1
MolPort-035-683-186 0.62 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
MolPort-035-683-171 0.62 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
MolPort-021-783-327 0.62 CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-002-885-840 0.62 CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-003-848-065 0.62 CC(O)C(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-019-918-667 0.62 CCC(C)(C)C(=O)O[C@@H]1C[C@H](C)C=C2C=C[C@@H](C)[C@@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@H]12
MolPort-003-849-214 0.62 CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-003-850-248 0.62 [2H]C([2H])([2H])C(CC)(C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)C([2H])([2H])[2H]
MolPort-002-510-172 0.62 CC(C)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@]4(OC(C)=O)C(C)=O)C3C=C(C)C2=C1
MolPort-003-930-509 0.62 CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-507-345 0.62 CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-001-739-990 0.62 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-009-675-646 0.62 CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12
MolPort-009-019-312 0.62 CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12
MolPort-006-394-569 0.62 CC(O)C(C)(C)C(=O)OC1CC(C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-006-394-822 0.62 [2H]C([2H])([2H])[C@@H](CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-027-564-866 0.62 [2H]C([2H])([2H])C(C)(CC)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-023-220-339 0.62 CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-046-790-507 0.62 C[C@@H]1CC(=O)C=C2C(=O)[C@H]3O[C@H]3[C@@H](C(C)(C)O)[C@@]12C
MolPort-039-339-204 0.62 CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-046-765-473 0.62 [2H]C([2H])([2H])C(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-762-839 0.62 CC[C@H](C)C(=O)O[C@@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
MolPort-046-690-152 0.62 [Na+].CC(O)C(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC([O-])=O)[C@@H]12
MolPort-028-751-166 0.62 CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)C12
MolPort-046-196-750 0.62 CC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@H]12
MCULE-3793958264 0.62 O=C(C1OCCCC=1)C1CC2(CCC2)C1
MCULE-8958095760 0.62 CC(C(C1OCCCC=1)=O)C1CCC1
MCULE-6332676455 0.62 CC(C1C(C(C2OCCCC=2)=O)C1)(C)C
MCULE-5507744017 0.62 C1([C@H](CO)C(=O)[C@H](O)[C@H](O)C1)/C=C/C=C/CCC
MCULE-1844011893 0.62 O=C(C1OCCCC=1)C1C2(CC2)C1
MCULE-2528413632 0.62 CC1C(C=CC(C)=O)=CCC2C(C(OC2C1)=O)=C
MCULE-8100043699 0.62 O=CC1C(/C=C/C=C/CCC)CC(O)C(O)C1=O
MCULE-8874070727 0.62 C1[C@@]2(O[C@@H]2C/C(=C(/C)\C)/C(=O)CC(C)=CC1)C
MCULE-8822838184 0.62 C1C[C@]2(C)C3[C@@H](OC(=O)C)C[C@]4(C)[C@@H](C(=O)COC(=O)C)CCC4C3CCC2=CC1=O
MCULE-8597054153 0.62 O=C(C1OCCCC=1)C1C(C2CC2)C1
MCULE-4810985269 0.62 [C@@]12([H])OC(=O)C([C@@]1([H])CC=C(/C=C/C(=O)C)[C@@H](C)C2)=C
MCULE-8198401941 0.62 C1(O)C(C)C2(C)CCC(C)=CCCC3(C)OC3C(=O)C(C2=C)=C1
MCULE-2122796304 0.62 C(O)(C12CCC(O)CC1(O)CCC1C3=CCC(C3(C)CCC21)C(OCC)=O)=O
MCULE-9512042267 0.62 C12(C)CCC3C(CC=C4CC(O)CCC34C)C1CCC2C(=O)COC(C)=O
MCULE-2646733803 0.62 C123C=CC1(CC1OC1C2)CCCC3
MCULE-9199968322 0.62 C(CCC(=O)OCC)CCCCCCCCC=CCCCCCCCC
MCULE-3486771028 0.62 C(CC(=O)OCC)CCCCCC=CCCCCCCCC
MCULE-9535038485 0.62 C(CC(=O)OCC)CCCCC/C=C\CCCCCCCC
MCULE-5501928946 0.62 C1(=O)CC2(C/C=C(\C)/CC(=O)/C=C(\C)/C)CC(=O)OC2CC1
MCULE-2403352810 0.62 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]
MCULE-9513148820 0.62 O=C1C=C(CCC2OCCCC2)CCC1
MCULE-8166977907 0.62 O=C(OCC1CC=CCC1)CC1CCCC1
MCULE-3362275267 0.62 C1CC=CC2C(C(OCC)=O)C2CC1
MCULE-5998876996 0.62 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
MCULE-6499205732 0.62 O=C1C=C(CCC2OCCCC2)CC1
MCULE-2054566768 0.62 [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
MCULE-8429357063 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
MCULE-4740518260 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
MCULE-7087866108 0.62 C1[C@H](OC([C@@H](C)CC)=O)[C@@]2([H])C(C=C[C@H](C)[C@@H]2CC[C@@H]2C[C@@H](O)CC(=O)O2)=C[C@@H]1C
MCULE-4325649241 0.62 C12=CC(C)CC(OC(C(C)CC)=O)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
MCULE-8183332147 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
MCULE-7655940373 0.62 C12=CC(C)CC(OC(=O)C(C)(C)CC)C1([H])C(C(C)C=C2)CCC1CC(O)CC(=O)O1
MCULE-1891722858 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
MCULE-6419704114 0.62 CCC(C(OC1C2C(C=CC(C2CCC2OC(=O)CC(O)C2)C)=CCC1)=O)C
MCULE-5661885893 0.62 CC[C@@H](C(=O)O[C@@H]1[C@@]2([H])C(C=C[C@@H]([C@@H]2CC[C@H]2OC(=O)C[C@H](O)C2)C)=CCC1)C
MCULE-8390617062 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
MCULE-6632709049 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
MCULE-5613497776 0.62 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)COC(=O)C(C)(C)C
MCULE-7091792733 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]
MCULE-1094526426 0.62 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(C(C)=O)OC(CCCCC)=O
MCULE-1465573856 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]
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]
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]
MCULE-1252077735 0.62 C1CC23CC(=O)OC(=O)C2(CCCC3)CC=1
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]
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