SANC00288 Clionamine B




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MolPort-027-677-076 0.78 OC1(CCCC1)C(=O)OCCCOC(=O)C1(O)CCCC1
MCULE-4389503380 0.78 OC1(C(OCCCOC(C2(CCCC2)O)=O)=O)CCCC1
MCULE-2855951051 0.78 C1C[C@@]2([H])[C@H](C)CC[C@@]3([H])[C@@H](C)C(=O)O[C@@]23[C@H](O)[C@@]1(O)C
MolPort-035-706-211 0.78 C[C@@H]1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H](O)[C@@]23OC1=O
MolPort-028-298-898 0.76 CC1CC(C)CC(C1)OC(=O)C1CCC(CC1)C(N)=O
MCULE-5577416928 0.76 CC1CC(OC(C2CCC(C(N)=O)CC2)=O)CC(C)C1
MCULE-6002234239 0.76 N[C@H]1[C@@H](C(OC2COCC2)=O)CCC1
MolPort-019-936-864 0.75 CC12CC11C(=O)OCC1(O)C(O)C1CC(C)(C)CC21
MolPort-003-941-163 0.75 CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC
MolPort-000-811-362 0.75 CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC
MolPort-046-689-889 0.75 [2H]C([2H])(OC(=O)CCCCCCCCCCCCCCC)C([2H])(O)C([2H])([2H])OC(=O)CCCCCCCCCCCCCCC
MolPort-038-386-661 0.75 CC(=O)OC1CC(OC2CCC(C)(O)C(C(O)=O)C12C)C(C)(C)O
MolPort-039-052-428 0.75 C[C@H]1[C@H]2C[C@@H]3O[C@]3(C)[C@@H](O)C[C@H]3O[C@]3(C)C[C@@H]2OC1=O
MolPort-006-149-419 0.75 CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC
MolPort-035-832-482 0.75 CC1C2CC(CC1OC(=O)C1CCC(CC1)C(N)=O)C2(C)C
MCULE-6497127843 0.75 C1[C@H]2OC2(C)C[C@]2([H])OC(=O)[C@H]([C@@]2([H])C[C@@H]2O[C@]2(C)[C@H]1O)C
MCULE-9267438003 0.75 CCCCCCCC(OCC(O)COC(CCCCCCC)=O)=O
MCULE-4970138467 0.75 C1C(OC(C)=O)C2(C)C(C(O)=O)C(O)(C)CCC2OC1C(O)(C)C
MCULE-3856724240 0.75 C(CCCCCCCCCCCCCCC)(OCC(O)COC(CCCCCCCCCCCCCCC)=O)=O
MCULE-3087218988 0.75 CC1C(OC(C2CCC(C(N)=O)CC2)=O)CC2C(C)(C)C1C2
MCULE-3458044257 0.75 CC1(OC(=O)CC1)CC1OCCC1
MolPort-046-764-540 0.74 O[C@@H]1C[C@]2(O)C[C@@H](OC2=O)[C@@H]1O
MolPort-003-711-128 0.74 OC1C2CC3C(C2)C(=O)OC13
MolPort-046-509-967 0.74 CCC1(CC)COC(=O)C1O
MCULE-6653977721 0.74 C12C(O)C3CC1C(C3)C(=O)O2
MCULE-3655863434 0.74 CC(C[C@@H](CC(OCCC1OCCC1)=O)CN)C
MCULE-1550233169 0.74 CCCCCCOC(CCCCCN)=O
MCULE-4203063339 0.74 CCC1C2(OC(=O)CC2)COC1
MCULE-1147187446 0.74 CC(C1OCC2(OC(=O)CC2)C1)C
MCULE-5741519726 0.74 CCC1OCC2(OC(=O)CC2)C1
MCULE-5113477360 0.74 CC1OCC2(OC(=O)CC2)C1
MCULE-6072747944 0.74 CC1C(C)C2(OC(=O)CC2)CO1
MCULE-5023084438 0.74 CCCC1C2(OC(=O)CC2)COC1
MCULE-2284449771 0.74 CC(C1C2(OC(=O)CC2)COC1)C
MCULE-1072772249 0.74 C(OCC(O)COCC(O)CO)C(O)COC(=O)CCCCCCCCCCCCCCCCC
MolPort-023-278-240 0.74 CCCCCCCCCCCCCCCCCC(=O)OCC(O)COCC(O)COCC(O)CO
MolPort-039-061-889 0.73 CCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O
MolPort-003-939-304 0.73 CCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O
MolPort-002-511-911 0.73 CCCCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O
MolPort-003-938-959 0.73 CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO
MolPort-007-980-738 0.73 CC1C2CCC3(C)C(C2OC1=O)C(C)(O)CCC3=O
MolPort-021-804-533 0.73 CC(C)CC(=O)OC[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@]1(C)CCC[C@](C)([C@H]1CC3)C(O)=O
MolPort-001-739-535 0.73 CC(C)CCCCCCCCCCCC(=O)OCC(O)CO
MolPort-046-702-894 0.73 CCCCCCCC(=O)OCC(O)CO.CCCCCCCCCC(=O)OCC(O)CO
MolPort-019-937-030 0.73 OCC(O)COC(=O)CCCCCCCC(O)=O
MolPort-003-958-671 0.73 CCCCCCCC(=O)OCC(O)CO
MolPort-003-937-768 0.73 CCCCCCCCCCCC(=O)OCC(O)CO
MolPort-038-386-031 0.73 CC(C)CCCCCCCCCC(=O)OCC(O)CO
MolPort-001-785-559 0.73 CCCCCCCCCCCCCCCC(=O)OCC(O)CO
MolPort-046-690-978 0.73 [2H]C([2H])(O)C([2H])(O)C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCCC
MolPort-044-637-558 0.73 OCCCCCCCCC(=O)OCC(O)CO
MolPort-001-739-454 0.73 CC(C)CCCCCCCCCCC(=O)OCC(O)CO
MolPort-023-298-922 0.73 OCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
MolPort-003-938-659 0.73 CCCCCCCCCCCCCC(=O)OCC(O)CO
MolPort-006-149-150 0.73 CCCCCCCCCC(=O)OCC(O)CO
MolPort-027-673-533 0.73 COC1CCCC(C1)OC(=O)CC1CC2CCC1C2
MolPort-003-939-321 0.73 CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
MCULE-5004596863 0.73 CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@@H]1[C@H](O)[C@@H](O)CO1
MCULE-8038328762 0.73 O(CC(O)CO)C(=O)CCCCCCCCCCCCCCCCCCCCCCCCCO
MCULE-2831547614 0.73 C12C(CCC3(C)C(CCC(C)(O)C13)=O)C(C(=O)O2)C
MCULE-9747489063 0.73 C(CCCCCCCCCCC)(OCC(CO)O)=O
MCULE-1447531931 0.73 O(C(=O)CCCCCCCCCCCCCCC)C[C@H](CO)O
MCULE-7179919472 0.73 C(O)C(O)COC(=O)CCCCCCCCCC(C)C
MCULE-5300589809 0.73 OCC(O)COC(=O)CCCCCCCCCCCC(C)C
MCULE-1466836615 0.73 CCCCCCCCCC(=O)OCC(CO)O
MCULE-3694237093 0.73 CCCCCCCCCCCCCC(=O)OCC(CO)O
MCULE-2198239945 0.73 C(CCCCCCCCCCCCCCCCC)(OCC(CO)O)=O
MCULE-7460625024 0.73 COC1CC(OC(CC2C3CC(CC3)C2)=O)CCC1
MCULE-4565103009 0.73 C(O)C(COC(=O)CCCCCCCCCCCCCCC)O
MCULE-1709238444 0.73 OCC(O)COC(=O)CCCCCCCCCCC(C)C
MCULE-9278936308 0.73 C(O)C(O)COC(=O)CCCCCCCCO
MCULE-2828197080 0.73 C1C[C@@]2(C)[C@]3([H])CC[C@H]4[C@@](O)(COC(=O)CC(C)C)C[C@@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
MCULE-6208791852 0.73 O(C(=O)CCCCCCC)CC(CO)O
MCULE-5138111397 0.73 C(C(=O)O)CCCCCCC(=O)OCC(O)CO
MCULE-4370552590 0.73 C12(C)CCC(C(C)(COC=O)C1CCC(C)C12CCC2(COC(=O)C2)O1)OC=O
MCULE-9373297718 0.73 [C@@]12(C)C(=O)OC[C@@H]1C1(CCC2O1)CO
MCULE-7964218164 0.73 [C@]12(C)CC[C@@H]([C@@](C)(COC=O)C1CC[C@@H](C)[C@@]12CCC2(COC(=O)C2)O1)OC=O
MCULE-8071794315 0.73 [C@]12(C)CC[C@@H]([C@@](C)(COC(C)=O)C1CC[C@@H](C)[C@@]12CC[C@]2(COC(=O)C2)O1)OC(C)=O
MCULE-4758813764 0.73 O=C(C12CC3CC(CC(C3)C1)C2)OC1C(=O)OCC1
MCULE-6730492486 0.73 CC(C1CCCCC1)CC(O[C@@H]1C(C)(C)COC1=O)=O
MCULE-7057530079 0.73 CC(C[C@@H](CC(OCCC1OCCC1)=O)CN)C.Cl
MCULE-4548184691 0.73 CC(C[C@@H](CC(OCCC1OCCCC1)=O)CN)C
MCULE-2210122863 0.73 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(C2(O)C1)OC(C)=O)C(C)=O
MCULE-9637470315 0.73 C(OC1CCCC1)(=O)C(N)C1CCCCC1
MolPort-027-975-759 0.73 CC(CC(=O)O[C@H]1C(=O)OCC1(C)C)C1CCCCC1
MolPort-004-003-685 0.73 O=C(OC1CCOC1=O)C12CC3CC(CC(C3)C1)C2
MolPort-007-980-931 0.73 C[C@@H]1CCC2[C@](C)(COC=O)[C@H](CC[C@]2(C)[C@@]11CCC2(COC(=O)C2)O1)OC=O
MolPort-002-523-817 0.73 C[C@@H]1CCC2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@@]11CC[C@]2(COC(=O)C2)O1)OC(C)=O
MolPort-042-604-240 0.73 Cl.CC(C)C[C@H](CN)CC(=O)OCCC1CCCO1
MolPort-002-511-770 0.72 OCC(O)C(O)C(O)[C@H]1OC(=O)[C@H](O)[C@@H]1O
MolPort-044-649-709 0.72 CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@@H](O)C[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]41C
MolPort-044-649-703 0.72 CC1(C)CC[C@@]23CC[C@]4(C)[C@@](OC2=O)([C@@H]3C1)[C@@H](O)C[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@@]41C
MolPort-046-766-242 0.72 CC[C@]1(C)C[C@@H](OC(=O)CO)C2(C)[C@@H]3C(=O)CCC3(CC[C@H]2C)[C@H](C)[C@@H]1O
MolPort-023-239-054 0.72 COCCCCC(=O)OC1CCC(CC1)C(N)=O
MolPort-039-338-376 0.72 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@H](O)[C@]24OC(=O)[C@@]5(CCC(C)(C)C[C@@H]25)CC[C@@]34C)C1(C)C
MolPort-027-688-578 0.72 CC1CC(OC(=O)CC23CC4CC(CC(O)(C4)C2)C3)C(=O)O1
MolPort-046-666-663 0.72 CCOC(=O)CC1CCC(CN)CC1
MolPort-003-801-785 0.72 C[C@@]12C3CCC(C3)[C@@H]1COC2=O
MolPort-035-706-360 0.72 CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@]2(C)CCC(=O)O2)C1(C)C
MolPort-046-654-344 0.72 CC(C)(C)OC(=O)CC1CCC(CN)CC1
MolPort-035-706-359 0.72 C[C@]1(CCC(=O)O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-035-706-356 0.72 C[C@]1(CCC(=O)O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-046-069-264 0.72 CCOC(=O)C[C@H]1CC[C@H](N)CC1
MolPort-039-338-175 0.72 C[C@]1(CCC(=O)O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]21C
MCULE-8391236776 0.72 O=C1OC2(CC(C3CC3)OC2)CC1
MCULE-2331233440 0.72 COCCCCC(OC1CCC(C(N)=O)CC1)=O
MCULE-2726287435 0.72 C(CC(=O)CCCCCCCCCCCCCC)C(=O)OCC(O)CO
MCULE-6953967851 0.72 C12(C)CCC(OC1=O)(CO)C2(C)C
MCULE-8410074246 0.72 C12(C)C(O)CCC(C(=O)O1)C2(C)C
MCULE-5370791290 0.72 CC1OC(=O)C(OC(CC23CC4CC(C2)(CC(C4)C3)O)=O)C1
MCULE-6607977886 0.72 [C@@]12(C)[C@@H](COC1=O)C1CCC2C1
MCULE-5501824579 0.72 C(OCC)(CCC1CCCC(C1)[NH3+])=O
MCULE-1897125861 0.72 C[C@]12[C@@]3(CC[C@]([H])([C@@]4(CCC(=O)O4)C)[C@@]3([H])CC[C@@]1([C@]1(CCC(=O)C(C)(C)[C@@]1(CC2)[H])C)[H])C
MCULE-7823930803 0.72 O1C(C2C(C1)C1CC2CC1)=O
MCULE-1221636934 0.72 C(OCC)(=O)CC1CCC(N)CC1
MCULE-7764145004 0.72 C[C@]12[C@@]3(CC[C@]([H])([C@@]4(CCC(=O)O4)C)[C@@]3([H])CC[C@@]1([C@]1(CCC(=O)C(C)(C)[C@@]1(CC2)[H])C)[H])C
MCULE-9398025473 0.72 C(OCC)(=O)C[C@@H]1CC[C@@H](N)CC1
MCULE-6981403661 0.72 [C@@H]1(C(OCC)=O)CC[C@@H](CN)CC1
MCULE-4862490045 0.72 C1C(OC(C(C2CCC(O2)C1O)(C)C)=O)CC(CCC)O
MCULE-2225264833 0.72 [C@@H]1(O)[C@@H](O)[C@]2(C)C3[C@H](O)[C@H](O)C(C)[C@]4(O)[C@@H](O)C(=O)O[C@@H]([C@]34C)CC2C(O)(C)C1
MCULE-6381035805 0.72 O1C(C(C)O)CC(CCC)C1=O
MCULE-1115132368 0.72 C(OCCCC)(=O)C(CC(CCC)=O)O
MolPort-046-697-347 0.72 CCCC(O)CC1CC(O)C2CCC(O2)C(C)(C)C(=O)O1
MolPort-019-937-067 0.72 CC1[C@@H](O)[C@@H](O)C2[C@@]3(C)[C@H](O)[C@@H](O)CC(C)(O)C3C[C@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]23C
MolPort-044-755-225 0.72 CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC(=O)[C@@]2(O)C1
MolPort-039-057-346 0.72 CCCC1CC(OC1=O)C(C)O
MolPort-044-637-553 0.71 CCCCCCC(O)CC(=O)OC(CCCCCC)CC(=O)OCC(O)CO
MolPort-044-232-213 0.71 Cl.CC(C)C[C@H](CN)CC(=O)OCCC1CCCCO1
MolPort-044-180-167 0.71 C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@]11CCC2(COC(=O)C2)O1
MolPort-039-052-362 0.71 CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@H]2O[C@H]2[C@@H]2[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]42C)[C@@H]3C1
MolPort-042-624-089 0.71 CC1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]11CCC2(COC(=O)C2)O1
MolPort-002-506-919 0.71 C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]11CCC2(COC(=O)C2)O1
MolPort-023-274-288 0.71 CC(O)CCC(O)CC1CCC(=O)O1
MCULE-4219636891 0.71 C12(C)CCC(C(C)(CO)C1CCC(C)C12CCC2(COC(=O)C2)O1)O
MCULE-9834041839 0.71 NCCCC1C(=O)OCC1
MCULE-8445888741 0.71 C1(CC(O)CCC(O)C)CCC(=O)O1
MCULE-7503668183 0.71 C(=O)(OC(COC(=O)C(C)CCCCCCCCCCCCCCCC)COC(=O)C(C)CCCCCCCCCCCCCCCC)C(C)CCCCCCCCCCCCCCCC
MCULE-5732218015 0.71 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
MCULE-9972291236 0.71 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
MCULE-1493929690 0.71 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
MCULE-5474939153 0.71 C(CCCCCCC)(=O)OC(COC(CCCCCCC)=O)COC(CCCCCCC)=O
MCULE-7404780060 0.71 O=C(CCCCCCCCCCC)OCC(COC(CCCCCCCCCCC)=O)OC(CCCCCCCCCCC)=O
MCULE-5288846423 0.71 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2(O)C1)OC(C)=O)=O
MCULE-5022504225 0.71 C(C)(=O)OC1CC(C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(CO)=O)OC(C)=O)OC(C)=O
MCULE-1870384671 0.71 C1(=O)C[C@@]2([C@@H](C)C(=O)O[C@]2([H])C[C@@]1(O)C)[H]
MCULE-1588246351 0.71 CC1(C2C(CCO2)C1OC(CC1C2CC(CC2)C1)=O)C
MCULE-2216675170 0.71 [C@@H]12[C@@H]3C(CCC(C)CCC[C@]1(O2)C)C(C(=O)O3)C
MCULE-4594429013 0.71 N[C@H]1C(=O)O[C@@H]2[C@H]1CCC2
MCULE-9989956906 0.71 C[C@H](C(C1CC2(COCC2)OCC1)=O)N
MCULE-4475702265 0.71 Cl.C(OCC)(=O)C[C@@H]1CC[C@@H](N)CC1
MCULE-5650193268 0.71 O=C1OC2(CC3CC(CC3)C2)CC1
MCULE-3511978838 0.71 C(OCC)(CC1CCC(CC1)[NH3+])=O.[Cl-]
MCULE-6705258069 0.71 O1C(C2CC3CC2C1C3)=O
MCULE-3588398983 0.71 [Cl-].C(OCC)(CCC1CCCC(C1)[NH3+])=O
MCULE-5500564099 0.71 O=C(OCC)[C@@H]1CC[C@@H](CN)CC1.Cl
MCULE-6387384782 0.71 O=C1OC(C2CC3C(C3)C2)CC1
MCULE-6373960560 0.71 C(=O)(CC(OC(=O)CC(O)CCCCCC)CCCCCC)OCC(O)CO
MCULE-1809408679 0.71 CC(C[C@@H](CC(OCC1COCC1)=O)CN)C
MCULE-3895702028 0.71 CC(C[C@@H](CC(OCCC1OCCCC1)=O)CN)C.Cl
MCULE-6149049272 0.71 CC1(CC[C@@]23CC[C@]4([C@]5([C@H]([C@H]6[C@@H]([C@]4(OC2=O)[C@@H]3C1)O6)[C@]1(CCC(C(C)(C)[C@@H]1CC5)=O)C)C)C)C
MCULE-6857516569 0.71 [C@]12(C)CC[C@@H]([C@@](C)(CO)C1CC[C@@H](C)[C@@]12CCC2(COC(=O)C2)O1)O
MolPort-001-788-458 0.71 CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
MolPort-003-959-730 0.71 CCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
MolPort-035-882-212 0.71 CCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC
MolPort-039-032-955 0.71 CCCCCCCCCCCCCCCCC(C)C(=O)OCC(COC(=O)C(C)CCCCCCCCCCCCCCCC)OC(=O)C(C)CCCCCCCCCCCCCCCC
MolPort-001-779-776 0.71 CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
MolPort-003-938-618 0.71 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
MolPort-003-939-677 0.71 CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC
MolPort-003-913-784 0.71 CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
MolPort-003-939-665 0.71 CCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC
MolPort-003-939-675 0.71 CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC
MolPort-039-338-416 0.71 C[C@@H]1[C@H]2CC(=O)[C@@](C)(O)C[C@H]2OC1=O
MolPort-003-939-760 0.71 CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC
MolPort-006-118-680 0.71 CCCCC(CC)C(=O)OCC(COC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC
MolPort-006-110-980 0.71 CCCCCCC(O)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(O)CCCCCC)OC(=O)CCCCCCCCCCC(O)CCCCCC
MolPort-044-561-353 0.71 CCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCC.CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCC
MolPort-003-939-708 0.71 CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC
MolPort-035-838-844 0.71 CC1(C)C(OC(=O)CC2CC3CCC2C3)C2CCOC12
MolPort-003-941-438 0.71 OC[C@@H](O)[C@@H](O)[C@@H]1OC(=O)[C@H](O)[C@@H]1O
MolPort-046-674-816 0.71 CC(C)(C)OC(=O)C1CCC2(CC(N)C2)CC1
MolPort-046-674-041 0.71 CCOC(=O)C1CCC2(CC(N)C2)CC1
MolPort-044-181-954 0.71 Cl.CCOC(=O)C12CCC(CN)(CC1)CC2
MolPort-003-908-208 0.71 O=C1OC2CC3CC2C1C3
MolPort-046-147-135 0.71 Cl.CC(C)(C)OC(=O)[C@H]1CC[C@H](CN)CC1
MolPort-023-334-436 0.71 Cl.CCOC(=O)C[C@H]1CC[C@H](N)CC1
MolPort-001-787-871 0.71 CCOC(=O)C12CCC(CC1)(CC2)C(N)=O
MolPort-028-617-015 0.71 Cl.CCOC(=O)CC1CCC(N)CC1
MolPort-035-758-127 0.71 Cl.CCOC(=O)[C@H]1CC[C@H](CN)CC1
MolPort-046-596-297 0.70 C[C@@H]1CC2C3CC[C@H]4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(OC(C)=O)C(=O)COC(C)=O)OC(C)=O
MolPort-002-528-922 0.70 C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(=O)COC(C)=O)OC(C)=O
MolPort-002-527-520 0.70 CC(=O)OCC(=O)[C@]1(CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)OC(C)=O
MolPort-002-510-783 0.70 CC(=O)OCC(=O)[C@]1(CCC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C)OC(C)=O
MolPort-046-596-346 0.70 CC(=O)OCC(=O)[C@]1(CCC2C3CC[C@H]4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)OC(C)=O
MolPort-001-742-564 0.70 CCCCCCCCCCCCCCCCC1C(OC)C(C)OC1=O
MolPort-042-605-968 0.70 Cl.CC(C)C[C@H](CN)CC(=O)OCC1CCOC1
MolPort-009-015-394 0.70 C[C@@]12CCC3C(C)(C)CCC[C@]3(C)[C@@H]1CC(=O)O2
MolPort-002-507-502 0.70 C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC(=O)O2
MolPort-035-945-130 0.70 O=C1OCC2CCCCC12
MolPort-035-941-748 0.70 O=C1OC[C@@H]2CCCC[C@H]12
MolPort-035-784-636 0.70 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)O
MolPort-000-742-120 0.70 O=C1CCC2(CCCCC2)O1
MolPort-020-179-507 0.70 C[C@]12CCC3C(C)(C)CCC[C@]3(C)[C@H]1CC(=O)O2
MolPort-003-855-673 0.70 CC(C)C1CCC(C)CC1OC(=O)C(C)O
MolPort-002-510-318 0.70 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(C)O
MolPort-044-435-832 0.70 O=C1OC[C@@H]2CCC[C@H]12
MolPort-023-220-407 0.70 C[C@@]12CC[C@H]3C(C)(C)CCC[C@]3(C)C1CC(=O)O2
MolPort-004-956-042 0.70 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C)O
MolPort-014-449-411 0.70 CC(C)(C)OC(=O)CCCCCCN
MolPort-002-507-185 0.70 C[C@@]12CCC3C(C)(C)CCC[C@]3(C)[C@H]1CC(=O)O2
MolPort-042-622-133 0.70 CC(C)(C)OC(=O)CCCCCCCN
MolPort-046-676-919 0.70 CC(C)(C)OC(=O)CCCCCCCCCN
MolPort-001-932-484 0.70 CC12CCC3C(C)(C)CCCC3(C)C1CC(=O)O2
MCULE-5887680642 0.70 CC[C@@H](C)[C@@H](O)[C@@H](OC(=O)CC(C(=O)O)CC(=O)O)C[C@@H](C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN
MCULE-5997458389 0.70 O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(C2(O)C1)OC(C)=O)C(C)=O
MCULE-6453338024 0.70 C12(C)CCC(OC(C)=O)(C(=O)COC(C)=O)CC1CCC1C3C(C)(CCC21)C(=O)CC3
MCULE-3730159039 0.70 C12(C)CCC(CC#N)C1(C)CC(=O)O2
MCULE-6130411370 0.70 C1CCCCC(C(OCC)=O)(O)CO1
MCULE-8502325069 0.70 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H](C)[C@]2(OC(C)=O)C(=O)COC(C)=O)[H]
MCULE-8200029569 0.70 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@]2(OC(C)=O)C(=O)COC(C)=O)[H]
MCULE-6424168205 0.70 CCOCCCOC(C[C@H](CC(C)C)CN)=O
MCULE-1261967217 0.70 [H]C12CCCCC1(C)C1CC(C3(C)CCC(C3(O)C1C(C2)OC(C)=O)=O)OC(C)=O
MCULE-4024599638 0.70 COCCCOC(C[C@H](CC(C)C)CN)=O
MCULE-8235127159 0.70 N[C@H]1[C@@H](C(OC2CCCC2)=O)CCC1
MCULE-6685197861 0.70 [C@]12(C)CCC3C(CC[C@@]4([H])CC(=O)CC[C@]34C)C1CC[C@]2(OC(C)=O)C(=O)COC(C)=O
MCULE-5599784289 0.70 COCCC(OC(C[C@H](CC(C)C)CN)=O)C
MCULE-3205442871 0.70 C1(=O)OC(C(OC)C1CCCCCCCCCCCCCCCC)C
MCULE-1229465412 0.70 CC1C2(OC(=O)CC2)COC1
MCULE-1833107717 0.70 CC(C[C@@H](CC(OCC1COCC1)=O)CN)C.Cl
MCULE-5019264359 0.70 CCOC(CCCCCCN)=O
MCULE-7333814305 0.70 O=C1O[C@]2(C)CC[C@@]3([C@@](C)([C@@]2([H])C1)CCCC3(C)C)[H]
MCULE-1194167196 0.70 C1(=O)C2CCCCC2C(C)(C)O1
MCULE-8539897246 0.70 C12(C)CCCC(C)(C)C1CCC1(C)OC(=O)CC12
MCULE-4988503905 0.70 C[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)O
MCULE-3625572177 0.70 C1(=O)C2CCCCC2CO1
MCULE-8945189998 0.70 CC1(OC(=O)CC1)CC1CCCCC1
MCULE-5470597952 0.70 CC(OC(CCCCCCN)=O)(C)C
MCULE-5878276346 0.70 C1C[C@H]([C@@H](C[C@@H]1C)OC(=O)[C@H](O)C)C(C)C
MCULE-2524698119 0.70 O1C2(CCCCC2)CCC1=O
MCULE-2525402532 0.70 O=C1[C@@H]2[C@@H](CCC2)CO1
MCULE-7242444959 0.70 O=C1OC(C2C3CCC(CC3)C2)CC1
MCULE-4046698936 0.70 CCOC(CCCCCCCN)=O
MCULE-7136271034 0.70 [C@]12(C)CCCC(C)(C)[C@]1([H])CC[C@@]1(C)OC(=O)C[C@@]12[H]
MCULE-6267686560 0.70 C1(CC(C)CCC1C(C)C)OC(C(C)O)=O
MCULE-6362464632 0.70 CCOC(CCCCCCCCCCCN)=O
MCULE-1680539728 0.70 C1(=O)C2CCCC2CO1
MCULE-1158352226 0.70 CC1(OC(=O)CC1)CC1CCCC1
MCULE-4266690176 0.70 NCCCC1C(=O)OCC1.Cl
MCULE-7342638721 0.70 C1(=O)C(CCCCCC)CC(CO)O1
MCULE-2295390972 0.70 CC(C[C@@H](CC(OCC1CCCC1)=O)CN)C
MCULE-4949572343 0.70 C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C(C)=O
MCULE-8610758166 0.70 [C@@]12(C[C@@H](CCC1(C)[C@@]1(C([C@]3([H])CCC(C(C)CCCC(C)C)C3(CC1)C)CC2=O)[H])OC(C)=O)OC(C)=O
MCULE-2526601791 0.70 [C@@]12(C[C@@H](CC[C@]1(C)[C@@]1([C@]([H])([C@]3([H])CC[C@H]([C@H](C)CCCC(C)C)[C@]3(CC1)C)CC2=O)[H])OC(C)=O)OC(C)=O
MCULE-2646305289 0.70 C(O)(C(=O)OC1CC(C)CCC1C(C)C)C(O)C(=O)OC1CC(C)CCC1C(C)C
MCULE-9764078886 0.70 C(O)(C(=O)O[C@H]1C[C@H](C)CC[C@H]1C(C)C)C(O)C(=O)O[C@H]1C[C@H](C)CC[C@H]1C(C)C
MCULE-4553476026 0.70 CC(C[C@@H](CC(OCC1COCCC1)=O)CN)C
MCULE-6530147897 0.70 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(C2(C1)OC(C)=O)=O
MolPort-002-509-933 0.70 CCCCCCC1CC(CO)OC1=O
MolPort-044-422-322 0.70 Cl.NCCCC1CCOC1=O
MolPort-046-764-553 0.70 C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4[C@]4(O)C[C@@H](O)CC[C@]34C)[C@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
MolPort-046-674-354 0.70 Cl.CCOC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2N
MolPort-046-650-420 0.70 CC(C)(C)OC(=O)CC1(CN)CC2CCC1C2
MolPort-030-065-097 0.70 CC(C)CCCC(C)C1CC[C@H]2C3CC(=O)[C@]4(C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)OC(C)=O
MolPort-002-051-540 0.70 CC(C)C1CCC(C)CC1OC(=O)C(O)C(O)C(=O)OC1CC(C)CCC1C(C)C
MolPort-046-596-432 0.70 CC(=O)OC1C[C@@]2(C)C3C[C@H](OC(C)=O)C4[C@]5(C[C@@]35CC[C@]2(C)C1[C@]1(C)CC[C@@H](O1)C(C)(C)O)CCC(OC(C)=O)C4(C)C
MolPort-000-713-217 0.70 CC(C)CCCC(C)C1CC[C@H]2C3CC(=O)[C@]4(C[C@@H](CCC4(C)[C@H]3CCC12C)OC(C)=O)OC(C)=O
MolPort-002-529-699 0.70 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)OC(C)=O
MolPort-000-699-728 0.70 CC(=O)OC1C[C@@]2(C)C3C[C@H](OC(C)=O)C4[C@]5(C[C@@]35CCC2(C)C1[C@]1(C)CC[C@@H](O1)C(C)(C)O)CCC(OC(C)=O)C4(C)C
MolPort-002-524-865 0.70 CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3C[C@H](OC(C)=O)C4[C@]5(C[C@@]35CC[C@]2(C)[C@H]1[C@@]1(C)CC[C@H](O1)C(C)(C)O)CC[C@H](OC(C)=O)C4(C)C
MolPort-002-761-619 0.70 CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(O)C(O)C(=O)O[C@H]1C[C@H](C)CC[C@H]1C(C)C
MolPort-002-551-535 0.70 O=C(OCC1CO1)C12CC3CC(CC(C3)C1)C2
MolPort-027-835-140 0.69 CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)[C@H]1OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H]1OC(=O)CCCCCCCCCCCCCCCCC
MolPort-000-773-088 0.69 CC(C)[C@@H](C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C)C1CCC2C3CC(=O)OC4C[C@H](OC(C)=O)[C@@H](C[C@]4(C)C3CC[C@]12C)OC(C)=O
MolPort-046-510-922 0.69 Cl.N[C@@H]1[C@@H]2CCC[C@@H]2OC1=O
MolPort-027-700-695 0.69 O=C(OC1CCOC1=O)C1CCCC(C1)C(=O)OC1CCOC1=O
MolPort-035-838-840 0.69 CC(C)COC1CC(OC(=O)C2CCCC2)C1(C)C
MolPort-044-181-966 0.69 CCOC(=O)C12CCC(CC1)(CCC2)C(N)=O
MolPort-027-835-302 0.69 CCOC(=O)[C@@H]1CC[C@H](N)CC1
MolPort-001-508-606 0.69 O=C1OC(=O)C2C3CCC(C3)C12
MolPort-002-527-014 0.69 C[C@H]1C[C@H]2[C@@H]3C[C@H]4CCCC[C@@]4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CC[C@@H](C[C@]12O)OC(C)=O
MolPort-003-801-799 0.69 CC12C3CCC(C3)C1C(=O)OC2=O
MolPort-046-196-078 0.69 O=C1OC(=O)[C@@H]2C3CCC(C3)[C@H]12
MolPort-023-330-031 0.69 O=C1OC(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@H]12
MolPort-046-650-783 0.69 CC(C)(C)OC(=O)C12CC3CC(C1)C(N)C(C3)C2
MolPort-046-659-919 0.69 CCOC(=O)C12CC3CC(C1)C(N)C(C3)C2
MolPort-044-181-952 0.69 CCOC(=O)C12CCC(N)(CC1)CC2
MolPort-046-774-535 0.69 O=C1OC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]12
MolPort-006-394-032 0.69 CCOC(=O)[C@H]1CC[C@H](N)CC1
MolPort-009-198-844 0.69 CCOC(=O)C1CCC(N)CC1
MolPort-014-449-454 0.69 CC(C)(C)OC(=O)C1CCC(N)CC1
MolPort-046-596-575 0.69 CC1CC2[C@@H]3C[C@H]4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(C[C@]12O)OC(C)=O
MolPort-039-333-431 0.69 CCOC(=O)C1(C)CCC(N)CC1
MolPort-046-665-938 0.69 CC(C)(C)OC(=O)C1CCCC(CN)C1
MolPort-002-507-157 0.69 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
MolPort-003-932-567 0.69 CCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCC
MolPort-035-838-853 0.69 CC1(C)C(OC(=O)CCCC2CCCCC2)C2CCOC12
MolPort-003-930-593 0.69 OC[C@H]1[C@H](O)C[C@@H]2OC(=O)C[C@H]12
MolPort-003-933-312 0.69 OC[C@@H]1[C@@H](O)C[C@H]2OC(=O)C[C@@H]12
MolPort-042-604-220 0.69 Cl.CCOCCCOC(=O)C[C@@H](CN)CC(C)C
MolPort-028-959-636 0.69 CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCC
MolPort-028-960-045 0.69 CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCC
MolPort-042-605-839 0.69 Cl.COCCCOC(=O)C[C@@H](CN)CC(C)C
MolPort-003-932-566 0.69 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC
MolPort-027-910-876 0.69 CCC1(CC)C(CC1OC(=O)CCC1CCCO1)OC
MolPort-035-837-843 0.69 COC1CCCC1OC(=O)C(C)CC1CCCCC1
MolPort-046-691-050 0.69 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](CC[C@]4(C)[C@H]3C(=O)C[C@]12C)OC(C)=O
MolPort-020-004-631 0.69 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC
MolPort-016-638-453 0.69 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
MolPort-002-521-942 0.69 CC(=O)OCC(=O)[C@@]1(O)CCC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3C(=O)C[C@]12C
MolPort-046-762-589 0.69 CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C
MolPort-006-148-050 0.69 CC(=O)OCC(=O)C1(O)CCC2C3CCC4CC(=O)CCC4(C)C3C(=O)CC12C
MolPort-042-604-247 0.69 Cl.COCCC(C)OC(=O)C[C@@H](CN)CC(C)C
MolPort-003-932-510 0.69 CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
MolPort-003-846-937 0.69 CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC
MolPort-003-939-676 0.69 CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC
MCULE-1719480745 0.69 Cl.N[C@H]1C(=O)O[C@@H]2[C@H]1CCC2
MCULE-2706829691 0.69 CCCCCCCCCCCCCCCCCC(O[C@@H]([C@@H]1[C@H](OC(CCCCCCCCCCCCCCCCC)=O)[C@@H](OC(CCCCCCCCCCCCCCCCC)=O)CO1)CO)=O
MCULE-2686036350 0.69 C12(CC(N)=O)CCC(OC1=O)(C)C2(C)C
MCULE-8535743264 0.69 [C@]12(C)C[C@@H](OC(C)=O)[C@H](CC1OC(CC1C3[C@@](C)(C(CC3)[C@H](C)[C@@H](OC(C)=O)[C@@H]([C@H](C)C(C)C)OC(C)=O)CCC12)=O)OC(C)=O
MCULE-8454584161 0.69 O=C(C1CC(C(OC2C(=O)OCC2)=O)CCC1)OC1C(=O)OCC1
MCULE-5077964622 0.69 [C@]12(C)CCC3[C@@]([H])(C[C@@H]([C@@]4(O)C[C@@H](OC(C)=O)CC[C@]34C)C)[C@]1([H])C[C@@]1([H])CCCC[C@@]21C(C)=O
MCULE-3380147337 0.69 O=C(OC(C)(C)C)[C@@H]1CC[C@@H](N)CC1
MCULE-1747154121 0.69 CCOC(C1CCC(N)CC1)=O
MCULE-9113973875 0.69 O=C(OCC)[C@@H]1CC[C@H](N)CC1
MCULE-4267876431 0.69 CCOC([C@@H]1CC[C@@H](N)CC1)=O
MCULE-7621841298 0.69 C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4C3CCC2(O)C1)C(OCC)=O
MCULE-6119939936 0.69 C1(=O)C2C3CCC(C3)C2C(=O)O1
MCULE-5544387046 0.69 C1(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)O1
MCULE-6339805118 0.69 CC(COC1C(C)(C)C(OC(C2CCCC2)=O)C1)C
MCULE-7829467157 0.69 C1(=O)OC(C2C3CCC(C3)C12C)=O
MCULE-4379167545 0.69 CC1(C2C(CCO2)C1OC(CCCC1CCCCC1)=O)C
MCULE-6663477256 0.69 O(C(=O)CCCCCCCCCCCCC)C[C@H](CO)OC(=O)CCCCCCCCCCCCC
MCULE-9242433444 0.69 COC1C(OC(C(CC2CCCCC2)C)=O)CCC1
MCULE-9693864821 0.69 C(C)(=O)OC1CC(C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(O)=O)OC(C)=O)OC(C)=O
MCULE-7762100709 0.69 C(CCCCCCCCCCCCCCC)(=O)OC(CO)COC(CCCCCCCCCCCCCCC)=O
MCULE-8050749025 0.69 Cl.COCCC(OC(C[C@H](CC(C)C)CN)=O)C
MCULE-8406212111 0.69 O[C@H]1C[C@H]2OC(=O)C[C@H]2[C@@H]1CO
MCULE-5154596818 0.69 C(CCCCC)(=O)OC(COC(CCCCC)=O)COC(CCCCC)=O
MCULE-2135976842 0.69 [C@H]12C[C@H]([C@H](CO)[C@H]1CC(=O)O2)O
MCULE-4982467169 0.69 Cl.COCCCOC(C[C@H](CC(C)C)CN)=O
MCULE-7653052392 0.69 O(C(=O)CCCCCCCCCCCCCCCCC)CC(CO)OC(=O)CCCCCCCCCCCCCCCCC
MCULE-4601460685 0.69 OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
MCULE-2575838861 0.69 C(C)(=O)OC1CC(C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(OCC)=O)OC(C)=O)OC(C)=O
MCULE-4158331491 0.69 OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC
MCULE-1193081742 0.69 C(C)(=O)OC1CCC2(C)C(O)(C1)CC(C1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(O)C21O)=O
MCULE-5344665361 0.69 CCC1(C(OC(CCC2OCCC2)=O)CC1OC)CC
MCULE-4633279587 0.69 N[C@H]1[C@@H](C(OC2CCC2)=O)CCC1
MCULE-5005045875 0.69 O1C(=O)C[C@@]2([H])[C@H](CO)[C@@H](O)C[C@@]12[H]
MCULE-2711629348 0.69 C12(OC(CC1([H])C(C(O)C2)CO)=O)[H]
MCULE-4303593385 0.69 CCOCCCOC(C[C@H](CC(C)C)CN)=O.Cl
MCULE-8191356703 0.69 OC[C@@H]1[C@@H]2[C@@H](OC(C2)=O)C[C@H]1O
MCULE-1455438480 0.69 O=C(OC1C(OC(CC2OCCC2)=O)CCCC1)CC1OCCC1
MCULE-5745611964 0.69 C1(C(C)(C)C)(C(O)=O)CC(C(=O)O1)(O)C(C)(C)C
MCULE-6769450167 0.69 C1(C2C(=O)CCC2C2C1(OC)C(O)C(C)OC2=O)O
MCULE-5346797960 0.69 CC1C(=O)OC2C1CCC1(C2C(C)C(=O)CC1)C
MCULE-4770939107 0.69 O=C1OC2(CCC3(CC3)CC2)CC1
MCULE-5732525714 0.69 O=C1OC2(C(C3CC3)CCCC2)CC1
MCULE-9949000891 0.69 C123CCC(C)(C)C(OC1=O)C2C1CCC2C4(C)CCC(=O)C(C)(C)C4CCC2(C)C1(CC3)C
MCULE-8100005306 0.69 CCOC(C1(CC2CC(CC2)C1)O)=O
MCULE-2578838881 0.69 C(OCC(O)C)(CCCCCCCCCCC)=O
MCULE-8921407508 0.69 CCOC(CCCCCCN)=O.Cl
MCULE-5646698014 0.69 C12CCC3CC1C(OC2C3)=O
MCULE-8677875109 0.69 O=C1OC2(C3(CCCC3)CC2)CC1
MCULE-2649272831 0.69 Cl.CCOC(CCCCCCCCCCCN)=O
MCULE-4975600587 0.69 C[C@@]12CC[C@@]3([H])C(C)([C@@H](CC[C@]3(C)[C@@]1([H])CC[C@@]1([C@]([C@]3(C)CC[C@@H](C(C)(O)C)O3)([H])CC[C@]12C)[H])OC(=O)C)C
MCULE-2162819446 0.69 Cl.CCOC(CCCCCCCN)=O
MCULE-5686074246 0.69 C1(CCCCCCCCC(=O)OCC(C)CO1)=O
MCULE-6052187979 0.69 O=C1OC2(C3(CCCCC3)CC2)CC1
MCULE-1266207415 0.69 C(CCCCCCCCCCCCCCC)CC(=O)OCC(O)C
MCULE-7682111353 0.69 CC1C(C)C(CCC=O)(O)CO1
MCULE-4637872898 0.69 C1(CCCCCCCCCCCC(O)CCO1)=O
MCULE-6861216774 0.69 C12CC[C@](O)(C(=O)COC(=O)C)C1(C)CCC1C3(C)CCCC[C@@]3(CCC21)C
MCULE-8825559579 0.69 [H]C12CCCCC1(C)C1CCC3(C)C(O)(CCC3C1CC2)C(COC(C)=O)=O
MCULE-5733148236 0.69 COC1CC(OC(C2CCC(=O)CC2)=O)CCC1
MCULE-4014975756 0.69 [C@H]1(C(OCC)=O)[C@@H](N)[C@H]2C[C@@H]1CC2
MCULE-2793755778 0.69 O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2(O)C1)OC(C)=O)=O
MCULE-4348664194 0.69 CC(C[C@@H](CC(OCCCC1CCC1)=O)CN)C
MCULE-1929650335 0.69 C1(COC(=O)CCCCC)COC(=O)C1
MCULE-8676389832 0.69 O=C1CC(COC2COCC2)CCC1
MCULE-6633387383 0.69 C1(CO)COC(=O)C1C(O)CCCC(C)C
MCULE-9357290749 0.69 CCC(CCCOC(C[C@H](CC(C)C)CN)=O)=O
MCULE-6689713414 0.69 C1CC(C(C(O)=O)C)OC1CC(C)OC(=O)C(C1OC(CC(O)C)CC1)C
MCULE-2296852683 0.69 C(OCCCCCCCC)(=O)[C@H](O)CCC(O)=O
MCULE-5062466681 0.69 C(OC(C)CC1CCC(C(C(O)=O)C)O1)(=O)C(C1OC(CC(O)CC)CC1)C
MCULE-6552536822 0.69 C12(C)CCC3C(CCC4CC(=O)CCC34C)C1CC[C@]2(O)C(=O)COC(C)=O
MCULE-3515194273 0.69 C12(C)CCC3C(CCC4([H])CC(=O)CCC34C)C1CC(C)C2(O)C(=O)COC(C)=O
MCULE-6638025729 0.69 C(OC(CC)CC1CCC(C(C(O)=O)C)O1)(=O)C(C1OC(CC(O)CC)CC1)C
MCULE-3311272069 0.69 C(O)(=O)C(C1OC(CC(OC(=O)C(C2OC(CC(OC(=O)C(C)C3OC(CC(C)OC(=O)C(C4OC(CC(O)CC)CC4)C)CC3)C)CC2)C)C)CC1)C
MCULE-1221234916 0.69 C1(COC(=O)CCCC(C)C)COC(=O)C1
MCULE-5225736040 0.69 C1(=O)O[C@@H](CC)C[C@]2([H])CC[C@@]([H])(O2)[C@@H](C)C(=O)O[C@H](CC)C[C@@]2([H])CC[C@]([H])(O2)[C@H](C)C(O[C@@H](C)C[C@@]2(CC[C@@]([H])(O2)[C@@H](C)C(=O)O[C@H](CC)C[C@]2(CC[C@]([H])(O2)[C@@H]1C)[H])[H])=O
MCULE-1708172213 0.69 C12(C)CCC3C(CC([C@@]4(O)CC(OC(C)=O)CCC34C)O)C1CC1CCCCC21C(C)=O
MCULE-9186007157 0.69 O=C1C(C2CCC(CC(OC(=O)C(C)C3OC(CC3)CC(CC)OC(=O)C(C)C3OC(CC3)CC(C)OC(=O)C(C)C3OC(CC3)CC(CC)O1)C)O2)C
MCULE-2171130683 0.69 C1C[C@]2([H])[C@@H](C)C(O[C@H](C)C[C@@]3([H])CC[C@@]([H])([C@H](C)C(O[C@@H](C)C[C@]4([H])CC[C@]([H])([C@@H](C)C(O[C@H](CC)C[C@@]5([H])CC[C@@]([H])([C@H](C)C(O[C@@H](C)C[C@@]1([H])O2)=O)O5)=O)O4)=O)O3)=O
MCULE-4183673196 0.69 O=C1O[C@H](C[C@@H]2CC[C@@H]([C@H](C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@H](C)C(=O)O[C@@H](C)C[C@H]3O[C@@H](CC3)[C@H](C)C(=O)O[C@@H](C)C[C@H]3O[C@@H](CC3)[C@@H]1C)C)O2)CC
MCULE-8137624449 0.69 COC1C(OC(C2CCCC2)=O)CCCC1
MCULE-3163186560 0.69 [C@@H]1([C@H](CCCCC)O)[C@H](CO)COC1=O
MCULE-1133286769 0.69 C12(C)CCC3C(CCC4CC(=O)CCC34C)C1C[C@@H](C)[C@]2(O)C(=O)COC(C)=O
MCULE-4029714793 0.69 CC(C[C@@H](CC(OCC1CCCC1)=O)CN)C.Cl
MCULE-2875168889 0.69 C1(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C1C)=O
MCULE-6371869963 0.69 C12(C)CCC(CC1C(CN)C(OCC)=O)C2(C)C
MCULE-4974350936 0.69 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H](C)[C@]2(O)C(=O)COC(C)=O)[H]
MCULE-3904150578 0.69 C(OCCCCCCCC)(=O)[C@@H](O)CCC(O)=O
MCULE-1811747140 0.69 CCCCCC(O)C1C(CO)COC1=O
MCULE-2410690673 0.69 O(C1CC2C3CCC(C3(C)CCC2C2(C)CCC(O)CC21O)=O)C(C)=O
MCULE-7661980777 0.69 C12(C)CCC3C(CCC4CC(=O)CCC34C)C1CCC2(O)C(=O)COC(C)=O
MCULE-1215497093 0.69 [C@]1([H])([C@H](CCCC(C)C)O)[C@H](CO)COC1=O
MCULE-5076284433 0.69 CC(C[C@@H](CC(OCCO)=O)CN)C
MCULE-7614245346 0.69 CC[C@H]1C[C@H]2CC[C@H]([C@H](C(=O)O[C@H](CC)C[C@H]3CC[C@H](O3)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](CC)C[C@H]3CC[C@H](O3)[C@H](C)C(=O)O1)C)O2
MCULE-1845236526 0.69 C1[C@@]2([H])C[C@@H](OC([C@H]([C@]3([H])CC[C@]([H])(C[C@H](OC([C@@H]([C@@]4([H])CC[C@](C[C@H](CC)OC(=O)[C@H]([C@@]5([H])O[C@]([H])(CC5)C[C@@H](CC)OC(=O)[C@H](C)[C@]([H])(O2)C1)C)([H])O4)C)=O)CC)O3)C)=O)CC
MCULE-1610423744 0.69 C(=O)(C(N)CC12CCC(CC1)C2)OC(C)(C)C
MCULE-1886747215 0.69 C12(CCC(CC1)C2(C)C)CC(N)C(=O)OC(C)(C)C
MCULE-2156139457 0.69 C12(CCC(CC1)(C)C2(C)C)CC(N)C(=O)OC(C)(C)C
MCULE-2578937676 0.69 C(OCCCCCCCC)(=O)[C@@H](O)CCC(O)=O
MCULE-1711527138 0.69 C1(=O)O[C@@H](C)C[C@]2([H])CC[C@@]([H])(O2)[C@@H](C)C(=O)O[C@H](C)C[C@@]2([H])CC[C@]([H])(O2)[C@H](C)C(O[C@@H](C)C[C@@]2(CC[C@@]([H])(O2)[C@@H](C)C(=O)O[C@H](C)C[C@]2(CC[C@]([H])(O2)[C@@H]1C)[H])[H])=O
MCULE-8773729801 0.69 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@@H](O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(=O)COC(C)=O)[H]
MCULE-6362894300 0.69 C(OCCCCCCCC)(=O)[C@H](O)CCC(O)=O
MolPort-039-005-593 0.69 O=C(CC1CCCO1)OC1CCCCC1OC(=O)CC1CCCO1
MolPort-022-400-626 0.69 CC(C)(C)C1(O)CC(OC1=O)(C(O)=O)C(C)(C)C
MolPort-046-697-334 0.69 COC12C(O)C3C(CCC3=O)C1C(=O)OC(C)C2O
MolPort-005-909-607 0.69 CC1(C)CCC23CC[C@]4(C)C(CCC5[C@@]6(C)CCC(O)C(C)(C)C6CC[C@@]45C)C2C1OC3=O
MolPort-002-910-694 0.69 O=C1OC2CC3CCC2C1C3
MolPort-005-909-605 0.69 CC(=O)OC1CC[C@@]2(C)C(CC[C@]3(C)C2CCC2C4C5OC(=O)C4(CCC5(C)C)CC[C@@]32C)C1(C)C
MolPort-020-168-668 0.69 Cl.CCOC(=O)CCCCCCCN
MolPort-003-913-570 0.69 CCCCCCCCCCCCCCCCCC(=O)OCC(C)O
MolPort-007-980-900 0.69 CC1(C)CCC23CC[C@]4(C)C(CCC5[C@@]6(C)CCC(=O)C(C)(C)C6CC[C@@]45C)C2C1OC3=O
MolPort-046-652-977 0.69 CC(C)(C)OC(=O)CC[C@@H]1C[C@H](N)C1(C)C
MolPort-042-684-212 0.69 Cl.CCOC(=O)CCCCCCCCCCCN
MolPort-001-942-581 0.69 CC1COC(=O)CCCCCCCCC(=O)OC1
MolPort-002-525-433 0.69 CC(=O)O[C@@H]1C[C@@H]2[C@H](CC[C@@]2(C)[C@]2(C)CCC3C(C)(C)[C@@H](O)CC[C@]3(C)C12)[C@@]1(C)CC[C@H](O1)C(C)(C)O
MolPort-006-110-692 0.69 CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
MolPort-046-658-349 0.69 CCOC(=O)C1CC2(CC(N)C2)C1
MolPort-003-724-685 0.69 CC1C2CCC3(C)CCC(=O)C(C)C3C2OC1=O
MolPort-003-986-280 0.69 Cl.CCOC(=O)CCCCCCN
MolPort-046-656-007 0.69 CC(C)(C)OC(=O)CCC1CC(N)C1
MolPort-046-656-006 0.69 CCOC(=O)CCC1CC(N)C1
MolPort-044-832-167 0.69 Cl.CC(C)(C)OC(=O)CCCCCCN
MolPort-002-524-308 0.69 CC1(C)CC[C@]23CC[C@]4(C)[C@H](CCC5[C@@]6(C)CCC(=O)C(C)(C)C6CC[C@@]45C)[C@H]2[C@H]1OC3=O
MolPort-002-525-747 0.69 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)C2CC[C@@H]2[C@H](CC[C@@]32C)[C@]2(C)CC[C@@H](O2)C(C)(C)O)C1(C)C
MolPort-035-706-351 0.69 CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H](CC[C@@]32C)[C@]2(C)CC[C@H](O2)C(C)(C)O)C1(C)C
MolPort-028-610-072 0.69 CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](CC)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1
MolPort-046-653-997 0.69 CCOC(=O)[C@@]1(N)C[C@@H]2CC[C@H]1C2
MolPort-044-755-230 0.69 CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C[C@@H](O)[C@@]2(O)C1
MolPort-028-769-611 0.69 COC1CCCC(C1)OC(=O)C1CCC(=O)CC1
MolPort-046-661-844 0.69 CCOC(=O)[C@@]1(N)C[C@H]2CC[C@@H]1C2
MolPort-028-454-105 0.69 COC1CCCCC1OC(=O)C1CCCC1
MolPort-002-529-128 0.69 C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
MolPort-002-529-677 0.69 C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O)OC(C)=O
MolPort-046-668-018 0.69 CCOC(=O)C(C)(N)C1CC2CCC1C2
MolPort-046-596-284 0.69 C[C@@H]1CC2C3CC[C@H]4CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
MolPort-044-183-331 0.69 CCCCCCCCOC(=O)C(O)CCC(O)=O
MolPort-002-911-078 0.69 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CC[C@@]4(C)CCCCC4(C)C3CCC12C
MolPort-019-939-292 0.69 CC[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](CC)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1
MolPort-044-183-332 0.69 CCCCCCCCOC(=O)[C@@H](O)CCC(O)=O
MolPort-002-695-755 0.69 CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
MolPort-019-931-873 0.69 CC(C)CCCC(O)C1C(CO)COC1=O
MolPort-042-621-670 0.69 Cl.CC(C)C[C@H](CN)CC(=O)OC1CCCC1
MolPort-044-561-335 0.69 CCCCCCCCOC(=O)[C@H](O)CCC(O)=O
MolPort-038-947-156 0.69 CC(C)(C)OC(=O)[C@@]1(N)C[C@H]2CC[C@@H]1C2
MolPort-039-101-184 0.69 CCCCCC(O)C1C(CO)COC1=O
MolPort-044-207-043 0.69 Cl.CC(C)C[C@H](CN)CC(=O)OCC1CCCC1
MolPort-002-139-541 0.69 CC(=O)OCC(=O)C1(O)CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
MolPort-046-637-865 0.69 CC(C)C[C@H](CN)CC(=O)OCCO
MolPort-005-944-142 0.69 CC(C)CCC[C@H](O)[C@@H]1[C@H](CO)COC1=O
MolPort-005-944-424 0.69 CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](CC)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1
MolPort-005-944-425 0.69 CC[C@@H]1C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O1
MolPort-001-739-880 0.69 CCCCC[C@H](O)[C@@H]1[C@H](CO)COC1=O
MolPort-001-739-478 0.69 CC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC1CCC(O1)C(C)C(O)=O
MolPort-001-739-456 0.69 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC1CCC(O1)C(C)C(=O)OC(C)CC1CCC(O1)C(C)C(=O)OC(C)CC1CCC(O1)C(C)C(O)=O
MolPort-001-739-452 0.69 CCC(O)CC1CCC(O1)C(C)C(=O)OC(CC)CC1CCC(O1)C(C)C(O)=O
MolPort-001-739-451 0.69 CCC(O)CC1CCC(O1)C(C)C(=O)OC(C)CC1CCC(O1)C(C)C(O)=O
MolPort-036-395-985 0.69 CCOC(=O)C1(CN)CC2CCC1C2
MolPort-044-566-609 0.69 C[C@@H]1CC2C3CC[C@H]4CC(CC[C@]4(C)C3CC[C@]2(C)[C@@]1(O)C(=O)COC(C)=O)OC(C)=O
MolPort-044-561-627 0.69 [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])OC(=O)[C@@H](O)CCC(O)=O
MolPort-044-561-626 0.69 [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])OC(=O)[C@H](O)CCC(O)=O
MolPort-035-942-341 0.69 CCOC(=O)[C@@H]1[C@H](N)[C@H]2CC[C@@H]1C2
MolPort-000-770-963 0.69 CC1CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)OC(C)CC2CCC(O2)C(C)C(=O)O1
MolPort-002-319-534 0.69 C[C@@H]1CC2C3CCC4CC(=O)CCC4(C)C3CCC2(C)[C@@]1(O)C(=O)COC(C)=O
MolPort-046-663-742 0.69 CC(C)(C)OC(=O)[C@@]1(N)C[C@@H]2CC[C@H]1C2
MolPort-002-508-500 0.69 CC(=O)OCC(=O)[C@@]1(O)CCC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-668-017 0.69 CC(C)(C)OC(=O)C(C)(N)C1CC2CCC1C2
MolPort-002-515-674 0.69 C[C@H]1C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@@H](O2)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O1
MolPort-046-666-295 0.69 CC(C)(C)OC(=O)[C@@H]1[C@H](N)[C@H]2CC[C@@H]1C2
MolPort-046-697-174 0.68 CC(CC(=O)CC12C3CC1C(CO)(CC3)OC2=O)C(O)=O
MolPort-001-739-547 0.68 CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO
MolPort-002-806-662 0.68 CC(=O)OCC12COC(=O)C1(C)C1CCC2O1
MolPort-001-739-548 0.68 CCCCCC(O)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OC(CCCCC)CC(O)CC(=O)OCC(O)C(O)C(O)C(O)CO
MolPort-003-801-801 0.68 CC12CCC(O1)C1(C)C2COC1=O
MolPort-035-742-821 0.68 CC1(C)C2CCC1(C)C(C2)OC(=O)C1CC2CCC1O2
MolPort-021-804-444 0.68 CC(C)CCCC(O)C1CC(CO)OC1=O
MolPort-005-944-035 0.68 CCC(C)CCC(O)C1CC(CO)OC1=O
MolPort-042-604-237 0.68 Cl.CC(C)C[C@H](CN)CC(=O)OCC1CCCOC1
MolPort-003-801-803 0.68 CC12CCC(O1)C1COC(=O)C21C
MolPort-001-739-450 0.68 CC(C)CCC(O)C1CC(CO)OC1=O
MolPort-046-196-808 0.68 O.CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)C(C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(O)=O)C(O)=O
MolPort-044-561-153 0.68 CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(O)=O)C(O)=O
MolPort-001-739-872 0.68 CCCC[C@@H](C)[C@@H](OC(=O)CC(CC(O)=O)C(O)=O)[C@H](C[C@@H](C)C[C@H](O)CCCCC(O)C[C@H](O)[C@H](C)N)OC(=O)CC(CC(O)=O)C(O)=O
MolPort-023-276-664 0.68 CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(O)=O)C(O)=O
MolPort-003-941-374 0.68 CCCCC(C)C(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CCCCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(O)=O)C(O)=O
MolPort-005-944-332 0.68 CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(O)=O)C(O)=O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(O)=O)C(O)=O
MolPort-016-580-769 0.68 CCCC(C)CC(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CCCCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(O)=O)C(O)=O
MolPort-016-580-768 0.68 CCCC(C)CC(OC(=O)CC(CC(O)=O)C(O)=O)C(CC(C)CC(O)CCCCC(O)CC(O)C(C)N)OC(=O)CC(CC(O)=O)C(O)=O
MolPort-030-004-859 0.68 O=C1OC2CC3CC1C2O3
MolPort-002-806-685 0.68 CC(C)(C)C(=O)OCC12CCC(O1)C1(C)C2COC1=O
MolPort-039-052-518 0.68 CC(C)(O)[C@@H]1[C@H]2C[C@@]3(C)[C@@]4(CO4)[C@@H]4O[C@@H]4[C@@]3(O)[C@H]1C(=O)O2
MolPort-003-925-080 0.68 CCCCCCCCC1CCC(=O)O1
MolPort-003-960-177 0.68 CCCCC1OC(=O)CC1C
MolPort-014-449-419 0.68 CC(C)(C)OC(=O)CCCCCN
MolPort-006-127-186 0.68 CCCCCCCCCCCCCCCCOC(=O)C(C)O
MolPort-012-675-344 0.68 CCOC(=O)C(O)C1CCCC1
MolPort-046-793-321 0.68 CCCCCCCCCCCCC1CCC(=O)O1
MolPort-001-783-878 0.68 CCOC(=O)C1(O)CCCCC1
MolPort-000-856-082 0.68 CCCCCC1CCC(=O)O1
MolPort-001-786-937 0.68 CCCCC1CCC(=O)O1
MolPort-006-135-426 0.68 CCCCC1(CC)CCC(=O)O1
MolPort-002-525-941 0.68 CC(C)CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4CCC(=O)[C@@]4(C)CCC23)C1
MolPort-002-527-680 0.68 CCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
MolPort-002-528-068 0.68 CCCCCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
MolPort-037-963-927 0.68 O=C1CC2(CCCC2)CO1
MolPort-028-950-793 0.68 O=C1OCCC11CCCC1
MolPort-046-596-518 0.68 CCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CCC(=O)[C@@]4(C)CCC23)C1
MolPort-046-596-517 0.68 CCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CCC(=O)[C@@]4(C)CCC23)C1
MolPort-046-596-503 0.68 CC(C)CCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CCC(=O)[C@@]4(C)CCC23)C1
MolPort-001-769-697 0.68 CCCCCCC1CCC(=O)O1
MolPort-001-505-414 0.68 CCC(=O)OC1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
MolPort-002-508-358 0.68 CC(=O)O[C@@H]1CCC2[C@@H]3C[C@H](O)[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-508-092 0.68 CCCC[C@@]1(CC)CCC(=O)O1
MolPort-030-004-755 0.68 O=C1CC2(CO1)CCCCC2
MolPort-002-894-299 0.68 CC1(C)CC2(CCCCC2)C(=O)O1
MolPort-002-893-997 0.68 CCCCCCCCCCCCCCOC(=O)C(C)O
MolPort-001-783-108 0.68 CCCCCCCC1CCC(=O)O1
MolPort-002-721-819 0.68 CC1(C)C2CCC1(C)C(C2)OC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-001-792-843 0.68 CCOC(=O)CCCCCN
MolPort-002-799-027 0.68 CCCCCCCCCCCCC[C@H]1CCC(=O)O1
MolPort-046-764-869 0.68 CCC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@H]23)C1
MolPort-046-588-195 0.68 CCCCCCCCCCCCCCC1CCC(=O)O1
MolPort-002-514-760 0.68 CCCCCCCCCC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CCC(=O)[C@@]4(C)CCC23)C1
MCULE-9749184314 0.68 NC1CC(COC2C(=O)OCC2)C1
MCULE-3519389937 0.68 [C@@]12(C(=O)O)CC[C@](C(=O)O1)(C)C2(C)C
MCULE-7183014842 0.68 C12(CCC(C(=O)O1)(C)C2(C)C)C(O)=O
MCULE-5785108605 0.68 [C@@H](OC(=O)CCCCCCCCCCCCCCCCC)(CO)[C@H]1OC[C@H](O)[C@H]1O
MCULE-2852098862 0.68 [C@H]1(O)C(=O)OC[C@@H](O)[C@@H](O)[C@@H]1O
MCULE-9560339671 0.68 C(OCCCC)(C12C(CCCC1)O2)=O
MCULE-9496730471 0.68 CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](C(O)=O)CC(=O)O)[C@@H](OC(=O)CC(C(=O)O)CC(=O)O)C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](N)C
MCULE-9714224858 0.68 C1C[C@]2(C)[C@@]3([H])[C@H](OC(C)=O)[C@@H](OC(=O)C)[C@]4(C)[C@]([H])(C(C)=O)CC[C@]54O[C@@]35CC[C@@]2([H])C[C@H]1O
MCULE-7129252959 0.68 CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](C(=O)O)CC(=O)O)C(OC(=O)C[C@@H](CC(=O)O)C(O)=O)C[C@@H](C)C[C@H](C)CCCCCC[C@H](O)[C@H](C)N
MCULE-8266315164 0.68 C(OC)(=O)C(OC(=O)CCO)C(N)C1CCCC1
MCULE-3055125444 0.68 C12(COC(C)=O)COC(=O)C1(C)C1CCC2O1
MCULE-5378991050 0.68 C(C)(=O)OC1CCC23C4CCC5(C)C(CCC5C4(CCC2(O)C1)OC3=O)C(O)=O
MCULE-1379322390 0.68 COC(C1C2(CCCC2)OCC1O)=O
MCULE-4381848131 0.68 C12C(=O)OCC1C1OC2CC1
MCULE-5725391426 0.68 C12CC3C1(CC(=O)CC(C)C(=O)O)C(=O)OC2(CO)CC3
MCULE-1899400964 0.68 C(CCC(O)C1CC(CO)OC1=O)(C)C
MCULE-6690548447 0.68 C12(C)C(=O)OCC1C1(CCC2O1)C
MCULE-6844552180 0.68 C12(C)C(=O)OCC1C1OC2(C)CC1
MCULE-6532932932 0.68 C(CCC(O)C1CC(CO)OC1=O)C(C)C
MCULE-9096510159 0.68 Cl.CC(C[C@@H](CC(OCC1COCCC1)=O)CN)C
MCULE-7819400835 0.68 O(C(=O)CC(O)CC(OC(CC(O)CC(OC(CC(O)CC(O)CCCCC)=O)CCCCC)=O)CCCCC)CC(O)C(O)C(O)C(O)CO
MCULE-9972476176 0.68 O(CC(O)C(O)C(O)C(O)CO)C(=O)CC(CC(OC(CC(CC(O)CCCCC)O)=O)CCCCC)O
MCULE-9498905440 0.68 C(C)(CCC(O)C1CC(CO)OC1=O)CC
MCULE-3219692660 0.68 CC1(C2(C(OC(C3C4OC(CC4)C3)=O)CC1CC2)C)C
MCULE-2730699276 0.68 COC(COC(C[C@H](CC(C)C)CN)=O)C
MCULE-8323856650 0.68 [C@@H]12[C@@H]3C(CCC4(O[C@@H]4CC[C@]1(O2)C)C)C(C(=O)O3)C
MCULE-7490992029 0.68 C12(C)C(=O)OCC1C1(CCC2O1)COC(=O)C(C)(C)C
MCULE-1287745372 0.68 OC(=O)C[C@H](CC(=O)O[C@H]([C@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@@H](CCCC)C)C[C@@H](CCCCCC[C@@H](C[C@@H]([C@@H](C)N)O)O)C)C(=O)O
MCULE-6795744166 0.68 CCCCC(C)C(OC(CC(CC(O)=O)C(O)=O)=O)C(CC(C)CCCCCCC(O)CC(O)C(C)N)OC(CC(CC(O)=O)C(O)=O)=O
MCULE-9561383442 0.68 [C@]12(C)[C@@]3(CO3)[C@@H]3O[C@@H]3[C@@]1(O)[C@@H]1[C@H](C(O)(C)C)[C@H](OC1=O)C2
MCULE-6886898773 0.68 C(CC(C)CC(O)CCCCC(O)CC(O)C(N)C)(OC(=O)CC(C(=O)O)CC(=O)O)C(CC(C)CCC)OC(=O)CC(C(=O)O)CC(=O)O
MCULE-2441900275 0.68 [C@H](OC(=O)C[C@H](CC(O)=O)C(O)=O)(C[C@@H](C)CCCCCC[C@H](C[C@H](O)[C@H](C)N)O)[C@H](OC(C[C@H](CC(O)=O)C(O)=O)=O)[C@H](C)CCCC
MCULE-9044570295 0.68 CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O
MCULE-2278887022 0.68 CCCC[C@H]([C@@H](OC(CC(C(=O)O)CC(=O)O)=O)[C@@H](OC(=O)CC(C(=O)O)CC(=O)O)C[C@H](C[C@H](O)CCCCC(O)C[C@H](O)[C@@H](N)C)C)C
MCULE-7478716973 0.68 C(CC(C)CCCCCCC(O)CC(O)C(N)C)(OC(=O)CC(C(=O)O)CC(=O)O)C(CC(C)CCC)OC(=O)CC(C(=O)O)CC(=O)O
MCULE-3303098127 0.68 [C@]12(C)CC[C@@H](C[C@]1([H])CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC(CCC)=O
MCULE-6017377745 0.68 [C@]12(C)CC[C@@H](C[C@]1([H])CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)OC(CCCCC)=O
MCULE-8645033672 0.68 C1(C)(CCC(C)C1(C)C)C(=O)OC1CC(C)CCC1C(C)C
MCULE-3493601656 0.68 CC(OC(CCCCCN)=O)(C)C
MCULE-4198145336 0.68 [C@]12(C)[C@@H](CC[C@@H]3[C@@H]1CC[C@]1([C@H]3CC[C@@H]1OC(CC)=O)C)CC([C@H](C)C2)=O
MCULE-5773106371 0.68 [C@H]1(CCCCC)CCC(=O)O1
MCULE-9161382840 0.68 C(OCCCCCCC)(C(O)C)=O
MCULE-9283902739 0.68 [C@H]1(CCCCCCCC)CCC(=O)O1
MCULE-7923543295 0.68 C1(CCCCCCCC)CCC(=O)O1
MCULE-6794732521 0.68 C1(CCCCCCCCCCCCCC)OC(=O)CC1
MCULE-3656974410 0.68 C1(CCCCC1)CC[C@@H](O)C(=O)OCC
MCULE-5815442718 0.68 [C@H]1(CCCCCCC)CCC(=O)O1
MCULE-9785937218 0.68 CCOC(C1(CCCCC1)O)=O
MCULE-3923374138 0.68 C(=O)(OCC)CCCCCN
MCULE-5170425987 0.68 [C@]12(C)CC[C@H](C[C@]1([H])CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)OC(CCC(C)C)=O
MCULE-4238522485 0.68 CCOC(C(C1CCCC1)O)=O
MCULE-2807523360 0.68 CCOC(C(C1CCCCC1)(O)C)=O
MCULE-2532326235 0.68 C(CCCCCCCCCCCC)COC(=O)C(O)C
MCULE-4630773741 0.68 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(O)(CCC4C3CCC2(C1)[H])C(C)=O
MCULE-9581789180 0.68 C12(CCCCC1)C(=O)OC(C)(C)C2
MCULE-1729218168 0.68 O=C(C(C)(C)C)OC1CCC2(C)C3CCC4(C)C(CCC4C3CCC2(C1)[H])=O
MCULE-2055025440 0.68 C12(C)CCC3C(CCC4CC(=O)CCC34C)C1CCC2OC(CC)=O
MCULE-6975680728 0.68 C(COC(=O)C(O)C)CCCCCCCCCCCCCC
MCULE-2172174471 0.68 C(C1CCC(=O)O1)CCC
MCULE-7270856780 0.68 C(CC)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CCC2(C1)[H])=O
MCULE-2896315370 0.68 C12(CC3CC(CC(C3)C1)C2)C(=O)OC1([H])CC2C(C)(C)C1(C)CC2
MCULE-8658118167 0.68 C1(CCC(CCCCC)O1)=O
MCULE-2892818509 0.68 C1(C)CC(=O)OC1CCCC
MCULE-8274362783 0.68 C1(CCC(CCCCCC)O1)=O
MCULE-3192940634 0.68 [C@@H]1(C)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](OC(CC)=O)CC[C@@]4([H])[C@]3([H])CC[C@]2(CC1=O)[H]
MCULE-3267310825 0.68 C(C)(=O)OC1CCC2(C)C3CC(O)C4(C)C(CCC4C3CCC2(C1)[H])C(C)=O
MCULE-7551069261 0.68 O1[C@](CCCC)(CC)CCC1=O
MCULE-9018416843 0.68 CCCCCCCC1OC(=O)CC1
MCULE-6093481655 0.68 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CCC2(C1)[H])C(CO)=O
MCULE-7211376504 0.68 C1(CC[C@]([H])(CCCCCCCCCCCCC)O1)=O
MCULE-1276159909 0.68 [C@]12(C)CCC(C[C@]1([H])CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCCCCCCCC)=O
MCULE-6316511737 0.68 [C@]12(C)CCC(C[C@]1([H])[C@@H](O)C[C@@]1([H])C3[C@@](C)([C@@H](CC3)OC(C)=O)CCC12)=O
MCULE-3819484185 0.68 O=C(OCC)C1CCCC(N)C1
MCULE-7184057449 0.68 C(=O)(C1CCCC(N)C1)OC(C)(C)C
MCULE-8883595286 0.68 Cl.O=C(OC(C)(C)C)[C@@H]1CC[C@@H](N)CC1
MCULE-8000665740 0.68 Cl.O=C(OCC)[C@@H]1CC[C@@H](N)CC1
MCULE-5805189235 0.68 CC(CCOC(C[C@H](CC(C)C)CN)=O)C
MCULE-9128871412 0.68 CCC(COC(C[C@H](CC(C)C)CN)=O)C
MCULE-3590968283 0.68 CC(C[C@@H](CC(OCCCCCCO)=O)CN)C
MCULE-9968377826 0.68 CCCCCOC(C[C@H](CC(C)C)CN)=O
MCULE-7835655773 0.68 CCCC(OC(C[C@H](CC(C)C)CN)=O)C
MCULE-4953629126 0.68 CCOC(C1CCC(N)CC1)=O.Cl
MCULE-4729772189 0.68 CCCCOC(C[C@H](CC(C)C)CN)=O
MCULE-9131760924 0.68 O=C(OCC)[C@@H]1CC[C@H](N)CC1.Cl
MCULE-9913260968 0.68 CC1C(C)C(CCC(O)=O)(O)CO1
MCULE-8836235812 0.68 C(O)(C(OCCCCCCCCCCCC)=O)C(O)C(OCCCCCCCCCCCC)=O
MCULE-4249862277 0.68 [C@]123C[C@H](CC[C@]1(C)C1CC[C@]4(C(C[C@]5([C@]4(CCCC5)C(C)=O)[H])[C@@]1(C[C@@H]2O3)[H])C)OC(C)=O
MCULE-6212471740 0.68 [C@]123CC(CC[C@]1(C)C1CC[C@]4(C(CCC4=O)C1C[C@@H]2O3)C)OC(C)=O
MCULE-5987300664 0.68 C(C)(=O)OC1CCC23C4CCC5(C)C(CCC5C4(CCC2(O)C1)OC3)C(OCC)=O
MCULE-6361669466 0.68 C123CC(CCC1(C)C1C(C4CC5C(C(=O)C)(CCCC5)C4(CC1)C)CC2O3)OC(=O)C
MCULE-4402945072 0.68 CCOC(C(OC1CC(OC)CCC1)=O)C
MCULE-4808159942 0.68 C(C)(=O)OC1CC2(O)CCC3C4(O)CCC(C4(C)CCC3C2(COC(C)=O)CC1)C(COC(C)=O)=O
MCULE-6312322049 0.68 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CC3C2(C1)O3)=O
MCULE-7790649198 0.68 CC1C(C(OCCCC(N)=O)=O)CCC(=O)C1
MCULE-4114264368 0.68 C1(COC(=O)CCCCCCCCCCCCCCCCC)OC1
MCULE-7172004328 0.68 C(O)(C(OCCCCCCCC)=O)C(O)C(OCCCCCCCC)=O
MCULE-2482956240 0.68 O1C(=O)C2C(O)C3CC1C2C3
MCULE-7344639720 0.68 C(O[C@@H]([C@@H]1[C@H](O)[C@@H](O)CO1)CO)(=O)CCCCCCCCCCC
MolPort-028-752-420 0.68 Cl.CCOC(=O)[C@@H]1CC[C@H](N)CC1
MolPort-029-940-482 0.68 Cl.CCOC(=O)[C@H]1CC[C@H](N)CC1
MolPort-006-704-069 0.68 CC(C)(C)OC(=O)C1CCCC(N)C1
MolPort-046-662-300 0.68 CCOC(=O)CC1(CN)CCC(C)C1
MolPort-046-662-299 0.68 CC1CCC(CN)(CC(=O)OC(C)(C)C)C1
MolPort-046-661-297 0.68 CC(C)(C)OC(=O)[C@@H]1CCC[C@@H](N)C1
MolPort-046-650-968 0.68 CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1CN
MolPort-046-657-822 0.68 CCOC(=O)[C@@H]1CCC[C@@H]1CN
MolPort-023-333-870 0.68 Cl.CCOC(=O)C1CCC(N)CC1
MolPort-014-981-845 0.68 CCOC(=O)C1CCCC(N)C1
MolPort-044-182-038 0.68 Cl.CCOC(=O)C12CCC(N)(CC1)CC2
MolPort-046-147-396 0.68 Cl.CC(C)(C)OC(=O)[C@@H]1CC[C@H](N)CC1
MolPort-044-559-308 0.68 Cl.CC(C)(C)OC(=O)[C@H]1CC[C@H](N)CC1
MolPort-046-657-818 0.68 CCOC(=O)CC1(CN)CCCC1
MolPort-046-651-298 0.68 CCOC(=O)C[C@@H]1CCC[C@H]1N
MolPort-046-653-891 0.68 CC(C)(C)OC(=O)C[C@@H]1CCC[C@H]1N
MolPort-046-653-904 0.68 CCOC(=O)[C@@H]1CCC[C@@H](N)C1
MolPort-046-656-002 0.68 CC(C)(C)OC(=O)CC1(CN)CCCC1
MolPort-046-689-903 0.68 [2H]C([2H])(OC(=O)CCCCCCCCCCCCCCC)C1([2H])OC1([2H])[2H]
MolPort-046-689-901 0.68 CCCCCCCCCCCCCCCC(=O)OCC1CO1
MolPort-046-689-905 0.68 [2H]C([2H])(OC(=O)CCCCCCCCCCCCCCCCC)C1([2H])OC1([2H])[2H]
MolPort-035-785-280 0.68 CCCCCCCCCCCCCCCCCC(=O)OCC1CO1
MolPort-046-764-823 0.68 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC1CO1
MolPort-046-689-894 0.68 [2H]C([2H])(OC(=O)CCCCCCCCCCC)C1([2H])OC1([2H])[2H]
MolPort-046-764-985 0.68 CCCCCCCCCCCCCCCCCC(=O)O[13CH2][13CH]1[13CH2]O1
MolPort-046-689-891 0.68 CCCCCCCC(=O)OCC1CO1
MolPort-046-764-988 0.68 CCCCCCCCCCCCCCCCCCCCCC(=O)OCC1CO1
MolPort-046-692-973 0.68 CCCCCCCCCCCC(=O)OCC1CO1
MolPort-046-689-899 0.68 [2H]C([2H])(OC(=O)CCCCCCCCCCCCC)C1([2H])OC1([2H])[2H]
MolPort-046-196-820 0.68 CCCCCCCCCCCCCC(=O)OCC1CO1
MolPort-028-796-920 0.68 CC1CC(=O)CCC1C(=O)OCCCC(N)=O
MolPort-023-311-453 0.68 CCCCCCCCOC(=O)C(O)C(O)C(=O)OCCCCCCCC
MolPort-046-596-281 0.68 CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(C[C@H]5CCCCC45C(C)=O)C3C[C@@H]3O[C@]23C1
MolPort-002-691-849 0.68 CC1CC(C(C)=O)[C@@]2(C)CCC3C(C[C@@H]4O[C@@]44CC(CC[C@]34C)OC(C)=O)C12
MolPort-028-425-315 0.68 CCOC(C)C(=O)OC1CCCC(C1)OC
MolPort-002-512-194 0.68 CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(C[C@@H]5CCCC[C@@]45C(C)=O)[C@@H]3C[C@@H]3O[C@]23C1
MolPort-044-755-186 0.68 CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3C[C@H]3O[C@@]23C1
MolPort-002-536-158 0.68 CC(=O)O[C@@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CC5CCCCC45C(C)=O)C3C[C@@H]3O[C@]23C1
MolPort-002-510-027 0.68 CC(=O)OC1CC[C@]2(C)C3CC[C@@]4(C)C(CCC4=O)C3C[C@@H]3O[C@]23C1
MolPort-001-932-118 0.68 CC(=O)OC1CCC2(C)C3CCC4(C)C(CC5CCCCC45C(C)=O)C3CC3OC23C1
MolPort-046-679-060 0.68 COCCOCCC12CC(C1)(C2)C(N)C(=O)OC
MolPort-003-927-860 0.68 CC1(C)[C@]2(C)CC[C@]1(OC2=O)C(O)=O
MolPort-023-221-617 0.68 CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1O
MolPort-000-263-269 0.68 CC1(C)C2(C)CCC1(OC2=O)C([O-])=O
MolPort-023-279-182 0.68 CCCCCCCCCCCC(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1O
MolPort-000-252-877 0.68 CC1(C)C2(C)CCC1(OC2=O)C(O)=O
MolPort-023-220-291 0.68 O[C@@H]1COC(=O)[C@H](O)[C@@H](O)[C@@H]1O
MolPort-001-790-984 0.68 CC1(C)[C@@]2(C)CC[C@@]1(OC2=O)C(O)=O
MolPort-001-769-052 0.68 CC1(C)C2(C)CC[C@]1(OC2=O)C(O)=O
MolPort-035-681-248 0.68 CC1(C)C2(C)CC[C@@]1(OC2=O)C(O)=O
MolPort-044-561-716 0.68 CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(O)=O)C(O)=O
MolPort-001-740-083 0.68 CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(O)=O)C(O)=O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@H](C)N)OC(=O)CC(CC(O)=O)C(O)=O
MolPort-039-052-686 0.68 CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@]2(C)[C@@H](CC[C@@]22O[C@]22CC[C@H]3C[C@@H](O)CC[C@]3(C)[C@@H]12)C(C)=O
MolPort-035-789-846 0.67 CC1CCC2C(C1)C(=O)OC2=O.CC1CCCC2C1C(=O)OC2=O
MolPort-007-550-481 0.67 CC(=O)OC1CCC2(C)C(CCC3C4CC(O)C(O)(C(C)=O)C4(C)CCC23)C1
MolPort-028-785-510 0.67 CCC(C)C(=O)OC1CCCCC1C(=O)OC
MolPort-042-689-369 0.67 Cl.CCC(=O)CCCOC(=O)C[C@@H](CN)CC(C)C
MolPort-044-235-465 0.67 Cl.CC(C)C[C@H](CN)CC(=O)OCCCC1CCC1
MolPort-027-636-963 0.67 O=C1OC(=O)C2CC(CCC12)C1CCC2C(C1)C(=O)OC2=O
MolPort-003-926-121 0.67 O=C1OC(=O)[C@@H]2CCCC[C@H]12
MolPort-001-762-694 0.67 O=C1OC(=O)C2C1C1CCC2CC1
MolPort-046-148-302 0.67 Cl.CC(C)(C)OC(=O)C1CC2(CC(N)C2)C1
MolPort-002-558-967 0.67 CC(C)CCOC(=O)C1CCCCC1O
MolPort-006-124-747 0.67 CC12CCCCC1C(=O)OC2=O
MolPort-046-666-267 0.67 CCOC(=O)[C@]12C[C@H]1C[C@H](N)C2
MolPort-002-528-904 0.67 CC(=O)O[C@@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4C[C@H](O)[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]23)C1
MolPort-046-284-921 0.67 COC(=O)C(O)C1CCCCO1
MolPort-046-690-051 0.67 [Na+].CCCCCCCCOC(=O)[C@@H](O)CCC([O-])=O
MolPort-003-983-984 0.67 O=C1OC(=O)[C@@H]2CCCC[C@@H]12
MolPort-046-765-564 0.67 CC1CCC[C@H]2[C@@H]1C(=O)OC2=O
MolPort-046-596-276 0.67 CC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4C[C@@H](O)[C@](O)(C(C)=O)[C@@]4(C)CCC23)C1
MolPort-001-792-389 0.67 O=C1OC(=O)C2CCCCC12
MolPort-004-964-457 0.67 CCCCCC(=O)OC[C@H](CO)OC(=O)CCCCC
MolPort-046-146-527 0.67 CCC1CC2C(C1)C(=O)OC2=O
MolPort-005-899-351 0.67 CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)COC(=O)C1CCC(CC1)C(C)(C)C
MolPort-000-165-824 0.67 O=C1OC(=O)C2CCCC12
MolPort-046-674-873 0.67 COCCOCCC12CC(C1)(C2)C(N)C(O)=O
MolPort-003-926-568 0.67 O=C1OC(=O)[C@H]2CCCC[C@H]12
MolPort-005-942-541 0.67 O=C1OC(=O)[C@@H]2CCC[C@H]12
MolPort-046-654-330 0.67 CC(C)(C)OC(=O)[C@]12C[C@H]1C[C@H](N)C2
MolPort-001-792-087 0.67 CC1CCC2C(C1)C(=O)OC2=O
MolPort-046-148-731 0.67 Cl.CC(C)(C)OC(=O)C12CCC(CC1N)C2(C)C
MolPort-042-675-236 0.67 CC1CC2OC2C2OC2C(O)CC(=O)O1
MolPort-042-604-236 0.67 Cl.COC(C)COC(=O)C[C@@H](CN)CC(C)C
MolPort-039-052-520 0.67 CC(C)(O)[C@@H]1[C@@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(CO3)[C@]1(C)[C@@H]2O
MolPort-046-596-395 0.67 CC(=O)OCC(=O)[C@@]1(O)CCC2C3C[C@@H]4O[C@@]44CC5(CC[C@]4(C)C3CC[C@]12C)OCCO5
MolPort-005-945-638 0.67 CC(C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(C)[C@H](CCC[C@]22CO2)[C@@]2(C)CCC3(COC(=O)C3)O[C@@]12C
MolPort-002-529-499 0.67 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H]4O[C@@]44CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5
MolPort-042-622-137 0.67 OC(=O)C(F)(F)F.CC(C)C[C@H](CN)CC(=O)OC1CCOC1
MolPort-003-665-993 0.67 CC(C)(O)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C
MCULE-3632791279 0.67 C1CC2C3C(=O)OC(=O)C3C3CCCCC3C2CC1
MCULE-9798190812 0.67 [C@]12([H])CCCC[C@]1([H])C(OC2=O)=O
MCULE-1432015498 0.67 C1(C2CCC3C(OC(C3C2)=O)=O)CCC2C(OC(C2C1)=O)=O
MCULE-4934426493 0.67 C1(CCCCC1O)C(OCCC(C)C)=O
MCULE-1926051156 0.67 CCOC1CCC2(OC(=O)CC2)CC1
MCULE-7489766483 0.67 O1C(=O)C2C(CC(CC2)C)C1=O
MCULE-4729478099 0.67 O=C1OC(C2CC3C(C3)CC2)CC1
MCULE-6841972287 0.67 C1CC2CCC1C1C(=O)OC(=O)C21
MCULE-1215527065 0.67 C123CCCC1C1C4(C)C(=O)OC56CCCC5C5C(C1C2C5(C)C(=O)O3)C46
MCULE-5606997243 0.67 C12(C)CC(OC1(C)CCC2CC(O)=O)=O
MCULE-6472848653 0.67 C12(C)CC(OC1(C)CCC2CC(OC)=O)=O
MCULE-1146911541 0.67 [C@@]12([H])CCCC[C@@]1([H])C(OC2=O)=O
MCULE-8272277568 0.67 C1(=O)C2C(C)(CCCC2)C(=O)O1
MCULE-3533399458 0.67 O=C1[C@@H]2[C@@H](CCC2)C(=O)O1
MCULE-3340764436 0.67 O1C(=O)C2CCCC2C1=O
MCULE-4118366006 0.67 O=C1OC2(C3C(C3)CCC2)CC1
MCULE-6093566981 0.67 O1C(=O)C2C(CCCC2)C1=O
MCULE-5802669356 0.67 O1C(=O)[C@@]2([C@@]([H])(CCCC2)C1=O)[H]
MCULE-6504649884 0.67 [C@]12(C)CC[C@]3([C@@]([H])(CCC4C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@H](O)[C@]2(O)C(C)=O)[H]
MCULE-7465283526 0.67 C12(C)CCC3C(CCC4([H])CC(CCC34C)OC(C)=O)C1CC(O)C2(O)C(C)=O
MCULE-3287003871 0.67 Cl.CCC(CCCOC(C[C@H](CC(C)C)CN)=O)=O
MCULE-5166027721 0.67 CCC(C(OC1C(C(OC)=O)CCCC1)=O)C
MCULE-4332080566 0.67 Cl.CC(C[C@@H](CC(OCCCC1CCC1)=O)CN)C
MCULE-9664101023 0.67 [C@@H](CO)(OC(=O)CCCCC)COC(=O)CCCCC
MCULE-9054447399 0.67 CCOC(C1(CC2CC(CC2)C1)N)=O
MCULE-4149070828 0.67 COC(C(C1OCCCC1)O)=O
MCULE-4460966232 0.67 C(C)(=O)OC1CC(O)C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(OCC)=O)OC(C)=O
MCULE-1809509655 0.67 C(C)(=O)OC1CC(O)C2(COC(C)=O)C3C(CC4(C)C(CCC4(O)C3CCC2(O)C1)C(O)=O)OC(C)=O
MCULE-5745499351 0.67 C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C(OC)=O
MCULE-9770371640 0.67 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CCC2(C1)[H])C(C(O)=O)([H])OC(C)=O)=O
MCULE-5043130196 0.67 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(CC5C4(C3CCC2(C1)[H])O5)C(OC)=O)OC(C)=O
MCULE-2561263089 0.67 Cl.COC(COC(C[C@H](CC(C)C)CN)=O)C
MCULE-9589147901 0.67 COC(C1(CC(C2CC2)OC1)O)=O
MCULE-7396094924 0.67 C(C)(=O)OC1CCC2(C)C3(C1)CCC1(C4CCC(C(C)CCC(C)C(C)C)C4(C)CC4C21O4)O3
MCULE-7849230922 0.67 CCCC1C(C(N)=O)(O)COC1
MCULE-5799986466 0.67 C1C(C)OC(CC(O)C2OC2C2OC21)=O
MCULE-6080310100 0.67 C1(OCC2(CC[C@]3([C@@]([C@H]([C@@H]([C@@]4([C@]3([H])CCC[C@]34OC3)C)OC(C)=O)OC(=O)C(C)C)(C)O2)C)C1)=O
MCULE-8535981390 0.67 [C@]12(C)[C@@]3(CO3)[C@@H]3O[C@@H]3[C@@]1(O)[C@@H]1[C@H](C(O)(C)C)[C@H](OC1=O)[C@H]2O
MCULE-1638230723 0.67 [C@]123CC4(CC[C@]1(C)[C@@]1([H])CC[C@]5([C@@]([H])(CC[C@]5(O)C(=O)COC(C)=O)[C@@]1(C[C@@H]2O3)[H])C)OCCO4
MCULE-5890565313 0.67 C123C(=O)OC4C5OC(=O)C(C5C(C)(C)O)C(CC1(O2)[H])(O)C34C
MCULE-7857517846 0.67 O=C1O[C@]2([H])[C@H](C(C)(O)C)[C@]1([C@]1([C@]3([C@]2([H])OC(=O)[C@@]23O[C@]2([H])C1)C)O)[H]
MCULE-5806529662 0.67 O1[C@@H]2C[C@@]3([C@H]4C(=O)O[C@H]([C@H]4C(C)(C)O)[C@@H]4[C@]3(C)[C@]12C(=O)O4)O
MCULE-3811447344 0.67 O=C1O[C@]2([H])[C@@H](C(C)(O)C)[C@]1([C@]1([C@]3([C@]2([H])OC(=O)[C@@]23O[C@]2([H])C1)C)O)[H]
MCULE-2219029999 0.67 CCCCCOC(C[C@H](CC(C)C)CN)=O.Cl
MCULE-9001466037 0.67 CC1C(CCC=O)(O)COC1
MCULE-4885135712 0.67 [C@@]12(O)[C@@H]3[C@H](C(C)(C)O)[C@@H](OC3=O)[C@H]3OC(=O)C([C@@]4(OC14)[H])[C@@]23C
MCULE-8140752933 0.67 O=C1C23C4CCC5(C)C(CCC5C4(CCC2(O)CC(O)CC3)O1)C(O)=O
MCULE-4566201442 0.67 C(C)(=O)OC1CCC23C4CCC5(C)C(CCC5(C4(CCC2(O)C1)OC3=O)[H])C(COC(C)=O)=O
MCULE-4820439136 0.67 C(=O)(C(N)CC12CCC(CC1)CC2)OC(C)(C)C
MCULE-9788880463 0.67 [C@]12(O)[C@H](O)C[C@](C)(O)[C@@]1([H])COC(=O)C2
MCULE-2801722499 0.67 COCCCOC(C1(C#N)CCCCC1)=O
MCULE-4436809428 0.67 CCOC(C1(CCC2(CC2)CC1)O)=O
MCULE-4365764816 0.67 C12C3C4C5C6C(=O)OC(=O)C6C(C34)C1C25
MCULE-8070889162 0.67 Cl.CCCC(OC(C[C@H](CC(C)C)CN)=O)C
MCULE-5527486908 0.67 CCOC([C@H]1[C@@H](N)CCCC1)=O
MCULE-7656733819 0.67 [Cl-].C(OCC)(=O)C1CCCC(C1)[NH3+]
MCULE-9453378682 0.67 CCOC(C1(C2(CCCCC2)CC1)O)=O
MCULE-7474748877 0.67 O1CC1COC(=O)C1(CCCCC1)OCCCCCC
MCULE-5466130343 0.67 CC(C1C2(OC(=O)CC2)CCCCC1)C
MCULE-2698051262 0.67 C123CC(OC1=O)C1C(CCC4CC5(OCCO5)CC[C@]14C)C2CCC3C1(C)OCCO1
MCULE-7562706031 0.67 O=C(C1CCCCC1C(OCC1OC1)=O)OCC1OC1
MCULE-7767133904 0.67 Cl.CC(CCOC(C[C@H](CC(C)C)CN)=O)C
MCULE-8153921503 0.67 CC1C2(OC(=O)CC2)CCCCC1
MCULE-1249557418 0.67 OC12CC3(C(OCC(COC(C45CC6CC(C4)(CC(C6)C5)O)=O)=O)=O)CC(C1)CC(C3)C2
MCULE-2622314247 0.67 O=C1OC(C2OCCCC2)CC1
MCULE-8035552835 0.67 O=C1CCC2(C)C3CC(C4(C)C(CCC4C3CCC2C1)C(C)=O)OC(C)=O
MCULE-2430600704 0.67 C1(N)(CC2CCC1CC2)C(=O)OC(C)(C)C
MCULE-5818513894 0.67 CCOC(C1C(N)CCCC1)=O
MCULE-7686762418 0.67 CCOC(C1(CCCCC1)N)=O
MCULE-4890322731 0.67 CC(C[C@@H](CC(OCCC1C(=O)OCC1)=O)CN)C
MCULE-9164476075 0.67 CCOC(C(C1CCCCC1)N)=O
MCULE-1064677882 0.67 C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3CC(C2(C1)[H])=O
MCULE-3511140251 0.67 C(C)(=O)OC1CCC2(C)C(C1)(C(CC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CCC12[H])=O)[H]
MCULE-6353355359 0.67 [H]C1(C2C(CC3(C)C(O)(CCC3C2CCC1=O)C(COC(C)=O)=O)=O)C=O
MCULE-6021466428 0.67 CC(C[C@@H](CC(OCC1CCC1)=O)CN)C
MCULE-2525840784 0.67 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CC3C2(C1)O3)C(C)=O)OC(C)=O
MCULE-3214222128 0.67 Cl.CCC(COC(C[C@H](CC(C)C)CN)=O)C
MCULE-9656444801 0.67 O=C(OC(C)(C)C)C1(CCCCC1)CN
MCULE-2878802445 0.67 Cl.CC(C[C@@H](CC(OCCCCCCO)=O)CN)C
MCULE-3270674120 0.67 C12(CCC(C(=O)O1)(C)C2(C)C)C(=O)[O-].[K+]
MCULE-7008830141 0.67 CCOC(C(C1C2CC3CC(C2)CC1C3)CN)=O
MCULE-8545439383 0.67 C(C)(=O)OC1CC(C2(C)C3CCC4(C)C(CC(C4C3CCC2(C1)[H])OC(C)=O)=O)OC(C)=O
MCULE-8484970973 0.67 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CCC2(C1)[H])OC(C)=O)=O
MCULE-3681893040 0.67 CC(C[C@@H](CC(OCCCCCO)=O)CN)C
MCULE-8893695655 0.67 [C@H](N)(CCC1CCCCC1)C(OCC)=O
MCULE-2197107348 0.67 CCOC(C1(C2(CCCC2)CC1)O)=O
MCULE-8146156452 0.67 C123C(=O)OC(=O)C41C1C4C4CC1C2C34
MCULE-9532339549 0.67 C(=O)(C(N)CC1(CCCC1)C)OC(C)(C)C
MCULE-7023353223 0.67 [C@H]1(CCCC[C@H]1N)C(=O)OCC
MCULE-1799525044 0.67 C12(C)C(C(C)=O)CCC1([H])C1(C([H])(C3(C)CCC(CC3(CC1)[H])OC(C)=O)CC2OC(C)=O)[H]
MCULE-1049276685 0.67 C12(C)CCC34C(C(C(CC3)(C)C)OC4)C1CCC1C2(C)CCC2C1(C)CCC(OC2(C)C)=O
MCULE-7274335954 0.67 O=C(CCCCCCCCN(=O)=O)OCCCCC
MCULE-9335657790 0.67 C(=O)(C(N)CC1(CCCCC1)C)OC(C)(C)C
MCULE-5264607179 0.67 CCC1C2(OC(=O)CC2)CCCCC1
MCULE-3706458013 0.67 C(C)(=O)OC1CCC2(C)C(C1)(CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(C21O)=O)[H]
MCULE-5796871422 0.67 O=C(CCCCCCCCCN(=O)=O)OCCCCC
MCULE-7642014287 0.67 CCCC(CC(OC1C(C)(C)C2C1CCCO2)=O)C
MCULE-3260658865 0.67 O(CCO)C(C1CCCCC1)=O
MCULE-5565774738 0.67 CCOC(C1(C(N)CCCC1)C)=O
MCULE-7545525454 0.67 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(C2(C1)[H])=O
MCULE-7401166688 0.67 C(C1(CCCCC1)N)C(OCC)=O
MCULE-6195295001 0.67 O=C(CCCCCCCN(=O)=O)OCCCCC
MCULE-8259185454 0.67 C(C)(=O)OC1C2(C)C(CCC2C2CCC3CC(O)CCC3(C)C2C1)C(C)=O
MCULE-6421050214 0.67 C(C)(=O)OC1CCC2(C3CCC4(C)C(CCC4(C3CCC2(O)C1)[H])C(OCC)=O)C(OCC)=O
MCULE-5591785573 0.67 O=C([C@H](C1CCCCC1)N)OC(C)(C)C
MCULE-8110952824 0.67 C(COC(=O)CCCCCCCCCCCCCC)(OC(CCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCCCC
MCULE-7622809574 0.67 C1(O)(C)CC(=O)OC1(CC(C)C)C(=O)O
MCULE-5102294443 0.67 O=C(CCCCC(=O)N)OCC
MCULE-9308259026 0.67 C1(CC)(C(OC)=O)OC21CC1CC2CC1
MCULE-5512054492 0.67 Cl.C(CCCCCN)(OCC)=O
MCULE-1532429896 0.67 CC(OC(CC1(CCCCC1)N)=O)(C)C
MCULE-1567987378 0.67 O(C(=O)CCCCCCCCCCCCCCC)C(CO)CO
MCULE-9230551266 0.67 Cl.CCCCOC(C[C@H](CC(C)C)CN)=O
MCULE-3267443071 0.67 C(OC(C)(C)C)(=O)[C@@H](N)C1CCCCC1
MCULE-8426921444 0.67 CC(OC(C1(CCCCC1)N)=O)(C)C
MolPort-023-221-898 0.67 CCCCOC(=O)C(C)(O)C(=O)CCC
MolPort-046-697-173 0.67 CC(C)CC1(OC(=O)CC1(C)O)C(O)=O
MolPort-006-145-740 0.67 CC1(C)COC(=O)CCCCC(=O)OC1
MolPort-002-799-014 0.67 O=C1OC(=O)C23C4C2C2CC4C4C2C134
MolPort-028-949-196 0.67 Cl.CC(C)(C)OC(=O)CCCCCN
MolPort-046-667-496 0.67 CCOC(=O)C1CCCCC1(C)N
MolPort-046-673-520 0.67 CC(C)(C)OC(=O)CC(N)C12CC3CC(CC(C3)C1)C2
MolPort-046-673-640 0.67 CCOC(=O)C1(CN)CC2CCC1CC2
MolPort-002-473-729 0.67 Cl.CCOC(=O)CCCCCN
MolPort-021-458-643 0.67 CC(C)(C)OC(=O)CC1(N)CCCCC1
MolPort-039-052-698 0.67 C[C@]1(O)C[C@@H](O)[C@]2(O)CC(=O)OC[C@H]12
MolPort-046-666-286 0.67 CC(C)(C)OC(=O)C(CN)C1CCCCC1
MolPort-046-662-298 0.67 CCOC(=O)[C@](C)(N)C1CCCCC1
MolPort-042-605-872 0.67 Cl.CCCC(C)OC(=O)C[C@@H](CN)CC(C)C
MolPort-046-651-878 0.67 CC(C)(C)OC(=O)C1(N)CCCC1(C)C
MolPort-046-656-003 0.67 CC1CCCC1(N)C(=O)OC(C)(C)C
MolPort-046-655-999 0.67 CC(C)(C)OC(=O)[C@@H]1CCC[C@]1(C)N
MolPort-046-655-093 0.67 CCOC(=O)[C@@H]1CCC[C@]1(C)N
MolPort-027-713-806 0.67 Cl.CCOC(=O)CC1(CN)CCCCC1
MolPort-002-515-454 0.67 CC1(OCCO1)C1CCC2C3CCC4CC5(CC[C@]4(C)C3C3CC12C(=O)O3)OCCO5
MolPort-046-652-685 0.67 CCOC(=O)CC(N)C12CC3CC(CC(C3)C1)C2
MolPort-042-604-235 0.67 Cl.CC(C)C[C@H](CN)CC(=O)OCCCCCCO
MolPort-046-658-679 0.67 CC(C)(C)OC(=O)[C@](C)(N)C1CCCCC1
MolPort-042-605-841 0.67 Cl.CCCCCOC(=O)C[C@@H](CN)CC(C)C
MolPort-046-658-828 0.67 CC(C)(C)OC(=O)C(N)C1(C)CCCCC1
MolPort-046-660-958 0.67 CC(C)(C)OC(=O)C1(N)C2CC3CC(C2)CC1C3
MolPort-025-916-379 0.67 CCOC(=O)CC(C)(N)C1CCCCC1
MolPort-020-158-630 0.67 COCCCOC(=O)C1(CCCCC1)C#N
MolPort-042-605-753 0.67 Cl.CCCCOC(=O)C[C@@H](CN)CC(C)C
MolPort-046-702-560 0.67 CC(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O
MolPort-042-605-840 0.67 Cl.CC(C)CCOC(=O)C[C@@H](CN)CC(C)C
MolPort-029-260-119 0.67 CCOC(=O)C(N)C12CC3CC(CC(C3)C1)C2
MolPort-039-052-508 0.67 CC(C)(O)[C@@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-046-146-601 0.67 Cl.CCOC(=O)[C@@H]1CCCC[C@@H]1CN
MolPort-035-839-518 0.67 CCCC(C)CC(=O)OC1C2CCCOC2C1(C)C
MolPort-046-147-142 0.67 CCOC(=O)CC(N)CC1CCCC1
MolPort-003-211-156 0.67 OC12CC3CC(C1)CC(C3)(C2)C(=O)OCC(=O)COC(=O)C12CC3CC(CC(O)(C3)C1)C2
MolPort-003-932-235 0.67 O=C(OCC1CO1)C1CCCCC1C(=O)OCC1CO1
MolPort-013-566-433 0.67 CCOC(=O)CC(N)C1CCCCC1
MolPort-039-033-307 0.67 CCCCCCCCCCCCCCCCCCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC
MolPort-011-492-153 0.67 CCOC(=O)C1(N)CCCCC1
MolPort-011-470-405 0.67 CC(C)(C)OC(=O)C(N)C1CCCCC1
MolPort-039-032-946 0.67 [Cl-].CCOC(=O)CCCCC[NH3+]
MolPort-046-690-980 0.67 CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
MolPort-044-194-949 0.67 CC(C)(C)OC(=O)C(N)[C@H]1CC[C@H](CN)CC1
MolPort-044-755-236 0.67 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
MolPort-003-983-485 0.67 CCCCCCCCCCCCCCCC(=O)OC(CO)CO
MolPort-044-232-210 0.67 Cl.CCC(C)COC(=O)C[C@@H](CN)CC(C)C
MolPort-000-738-438 0.67 [K+].CC1(C)C2(C)CCC1(OC2=O)C([O-])=O
MolPort-044-723-545 0.67 CCOC(=O)CCCCC(N)=O
MolPort-000-001-038 0.67 CCOC(=O)CC1(N)CCCCC1
MolPort-046-689-525 0.67 CC(C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O)CC(=O)OCCCCCCCCC(O)=O
MolPort-038-386-810 0.67 Cl.CCOC(=O)C1CCCC(N)C1
MolPort-006-121-741 0.67 OCCOC(=O)C1CCCCC1
MolPort-046-147-320 0.67 Cl.CC(C)(C)OC(=O)CC1(CN)CCCCC1
MolPort-046-656-549 0.67 CC(C)(C)OC(=O)[C@@](C)(N)C1CCCCC1
MolPort-003-813-002 0.67 CC1(C)CCC23COC1C2C1CCC2C4(C)CCC(=O)OC(C)(C)C4CCC2(C)C1(C)CC3
MolPort-003-801-588 0.67 CCOC(=O)C1CCCCC1N
MolPort-044-181-968 0.67 Cl.CCOC(=O)C12CCC(N)(CC1)CCC2
MolPort-046-202-753 0.67 Cl.CC(C)(C)OC(=O)[C@@H]1CCC[C@H](N)C1
MolPort-039-052-420 0.67 CC(C)(O)[C@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-046-415-713 0.67 Cl.CCOC(=O)[C@@H]1CCC[C@H](N)C1
MolPort-046-203-155 0.67 Cl.CCOC(=O)[C@H]1CCC[C@@H](N)C1
MolPort-002-084-097 0.67 CC(=O)OC1(C2CC3CC(C2)CC1C3)C(O)=O
MolPort-002-806-680 0.66 CC(=O)OCC12CCC(O1)C1C(=O)OC(=O)C21C
MolPort-002-312-408 0.66 CC1(C)C2(C)CCC1(OC2=O)C(=O)OC1CCCCC1
MolPort-005-933-758 0.66 O=C1OC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@H]12
MolPort-003-665-556 0.66 C[C@]12C3CCC(O3)[C@@]1(C)C(=O)OC2=O
MolPort-002-112-119 0.66 CCOC(=O)C1CC(=O)OC11CCCCC1
MolPort-003-983-935 0.66 C[C@]12[C@@H]3CC[C@@H](O3)[C@@]1(C)C(=O)OC2=O
MolPort-002-806-661 0.66 CC(=O)OC1CCC(=O)C2COC(=O)C12C
MolPort-023-220-347 0.66 CCCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1CC1OC1CCCCC)OC(=O)CCCCCCCC1OC1CC1OC1CCCCC
MolPort-001-508-621 0.66 O=C1OC(=O)C2C3CCC(O3)C12
MolPort-001-832-709 0.66 O=C1OC(=O)C2[C@@H]3CC[C@@H](O3)C12
MolPort-001-740-366 0.66 CC(=O)O[C@@H]1CC2[C@@]3(C)CCC(OC(=O)CC(O)=O)C(C)(C)C3CC[C@@]2(C)[C@]2(C)CCC(O)(C12)[C@]1(C)CCC(O1)C(C)(C)O
MolPort-003-801-794 0.66 CC12CCC(O1)C1(C)C2C(=O)OC1=O
MolPort-002-083-762 0.66 COC(=O)C1CC(=O)OC11CCCCC1
MolPort-003-801-795 0.66 CC12CCC(O1)C1C(=O)OC(=O)C21C
MolPort-028-785-513 0.66 COC(=O)C(OC(=O)C1CC2CCC1C2)C1CC1
MolPort-046-691-052 0.66 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)OC(C)=O
MolPort-046-691-053 0.66 CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
MolPort-028-798-520 0.66 CCCCCC(=O)OC(C)CCCCN(C)C
MolPort-028-264-946 0.66 O=C(OC1CCCCC1C#N)C1CCCC1
MolPort-029-887-062 0.66 C[C@H]1C[C@@H]2OC(=O)[C@@H](CO)[C@@H]2[C@@H]1CO
MolPort-046-689-892 0.66 CCCCCC(=O)OCC1CO1
MolPort-019-940-197 0.66 CC1CCC2C(C)(CO)C(O)CCC2(C)C11CCC(CO)(CC([O-])=O)O1
MolPort-002-527-306 0.66 CC(=O)O[C@H]1C[C@@H]2[C@@]3(C[C@@]33CC[C@H](OC(C)=O)C(C)(C)C13)CC[C@]1(C)[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)CC[C@H](O1)C(C)(C)O
MolPort-044-182-003 0.66 Cl.CCOC(=O)C12CCC(N)(CC1)C2
MolPort-035-836-437 0.66 O=C(CC1CC2CCC1C2)OC1CCCCC1C#N
MolPort-046-762-741 0.66 CCOC(=O)[C@H](N)[C@@H](O)CCCCCCCCCCCC(C)C
MolPort-046-764-822 0.66 [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC1CO1
MolPort-009-194-735 0.66 CC(C)C1CC(CO)OC1=O
MolPort-009-037-890 0.66 O=C(OC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
MolPort-000-768-905 0.66 CC(=O)O[C@@H]1CC2[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)C3CC[C@@]2(C)[C@]2(C)CC[C@@H](C12)[C@@]1(C)CC[C@H](O1)C(C)(C)O
MolPort-006-113-028 0.66 CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
MolPort-046-686-138 0.66 CCCC1CCC(CC1)OC(=O)[C@H]1CC[C@@H](CC1)[C@H]1CC[C@H](CCC)CC1
MolPort-006-114-548 0.66 O=C(OCC1CCCCC1)C1CCCCC1
MolPort-006-121-634 0.66 O=C(OC1CCCCC1)C1CCCCC1
MolPort-009-448-476 0.66 CC(C)C1CCC(C)CC1OC(=O)CO
MolPort-002-911-157 0.66 CC(OC(C)=O)C1CCC2C3CC[C@H]4CC(=O)CCC4(C)C3CCC12C
MolPort-002-525-091 0.66 CC(=O)O[C@@]1(C)CCC2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-042-620-667 0.66 CC(N)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C
MolPort-002-526-033 0.66 CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4CCC(=O)[C@@]4(C)CCC23)C1
MolPort-046-659-073 0.66 CCOC(=O)CCC1(N)CCCC1
MolPort-002-529-718 0.66 CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-596-296 0.66 CC(=O)O[C@@]1(C)CCC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-046-662-882 0.66 CCOC(=O)[C@@H]1C[C@H](C(C)N)C1(C)C
MolPort-002-510-675 0.66 CC(=O)O[C@@H]1CC2[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)C3CC[C@@]2(C)[C@]2(C)CC[C@@H](C12)[C@]1(C)CC[C@@H](O1)C(C)(C)O
MolPort-002-721-821 0.66 O=C(OCCC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
MolPort-046-588-794 0.66 CCC[C@H]1CC[C@@H](CC1)OC(=O)[C@H]1CC[C@@H](CC1)[C@H]1CC[C@H](CCC)CC1
MolPort-002-911-104 0.66 CCC(=O)OC1CCC2(C)[C@@H](CCC3C4C[C@@H](C)[C@](O)(C(C)=O)C4(C)C[C@@H](OC(=O)CC)C23)C1
MolPort-002-510-249 0.66 CC(=O)O[C@H]1CC2[C@@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)CC[C@@H](C12)[C@]1(C)CC[C@@H](O1)C(C)(C)O
MolPort-001-011-601 0.66 OC(=O)CCCCCCCCCCC1CCOC1=O
MolPort-002-810-564 0.66 CC(CCC([O-])=O)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC(C)=O
MolPort-002-506-980 0.66 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1
MolPort-002-501-868 0.66 O=C(CCCCC(=O)OCC1CCCCC1)OCC1CCCCC1
MolPort-002-911-086 0.66 CC(=O)OC1CCC2C3CCC4CCC(=O)CC4(C)C3CCC12C
MolPort-002-911-090 0.66 CC(=O)OC1CCC2C3CCC4CCCC(=O)C4(C)C3CCC12C
MolPort-002-319-523 0.66 CC(=O)OC1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
MolPort-046-592-190 0.66 C[C@H](COC(C)=O)[C@H]1CC[C@@]2(C)C(=O)CCC[C@]12C
MolPort-000-841-145 0.66 CC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CCC(=O)[C@@]4(C)CCC23)C1
MolPort-046-674-313 0.66 CCOC(=O)C1CCCC(N)CC1
MolPort-003-657-323 0.66 CC(=O)OC1CCC2(C)C(CCC3C4CCC(=O)C4(C)CCC23)C1
MolPort-001-781-618 0.66 CCCC1CCC(=O)O1
MolPort-019-937-227 0.66 CC12CCCC(C)(C1CCC13CC(CCC21)C1(CO)OC31)C(O)=O
MolPort-039-052-426 0.66 CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)OCC
MolPort-003-715-499 0.66 CC1(CCCCC1)C(=O)OCC12CC3CC(CC(C3)C1)C2
MolPort-012-621-693 0.66 CCOC(=O)C1(O)CCCC1
MolPort-028-247-153 0.66 CCC1CCCCC1OC(=O)CCC1CCCO1
MolPort-000-840-843 0.66 CC(=O)OC1CCC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-038-975-453 0.66 CCCC(CCOC(=O)CC(C)(C)CC(C)=O)OC(=O)CC(C)(C)CC(C)=O
MolPort-046-677-937 0.66 CC(C)(C)OC(=O)C1CCCC(N)CC1
MCULE-6865797639 0.66 C12(C)C(C3OC1(CC3)COC(C)=O)C(OC2=O)=O
MCULE-4357444587 0.66 C12(CCC(C(=O)O1)(C)C2(C)C)C(=O)OC1CCCCC1
MCULE-5847145918 0.66 NC(C1(CC(C2CC2)OC1)O)=O
MCULE-5895686237 0.66 C12(CCC(C(OC1=O)(C)C2(C)C)O)C(O)=O
MCULE-6806511173 0.66 C12(C)C3(C)CCC(O3)C1C(OC2=O)=O
MCULE-7151248589 0.66 O=C1[C@]2([C@]3(O[C@@](CC3)([H])[C@@]2(C)C(=O)O1)[H])C
MCULE-7638289663 0.66 CC12C(OC(=O)C1(C1CCC2O1)C)=O
MCULE-1557043772 0.66 C12(C)C(CCC(=O)C1COC2=O)OC(C)=O
MCULE-6795818385 0.66 C1(=O)OC([C@H]2[C@@H]3CC[C@@H](O3)[C@@H]12)=O
MCULE-9858063647 0.66 O1C2CCC1(C)C1C2C(OC1=O)=O
MCULE-2925091645 0.66 C12(C)C3CCC(O3)(C)C1C(OC2=O)=O
MCULE-4609166757 0.66 N[C@H]1[C@@H](C(OC2COC2)=O)CCC1
MCULE-7914716746 0.66 C1(CC(OC21CCCCC2)=O)C(OCC)=O
MCULE-1715684738 0.66 O1[C@H]2CC[C@@H]1[C@]1(C)C(=O)OC([C@]12C)=O
MCULE-6647214156 0.66 C1(CC(OC21CCCCC2)=O)C(OC)=O
MCULE-7561066553 0.66 C1(=O)OC(C2C3CCC(O3)C12)=O
MCULE-7687309103 0.66 CC(C[C@@H](CC(OCCCOCC=C)=O)CN)C
MCULE-6394099577 0.66 C(OC(=O)CCCCCCCC1OC1CC1OC1CCCCC)(COC(CCCCCCCC1OC1CC1OC1CCCCC)=O)COC(=O)CCCCCCCC1OC1CC1OC1CCCCC
MCULE-9646801653 0.66 C1C2OC(C3C(=O)OC(=O)C32C)C1
MCULE-2692138769 0.66 COC(C(C1CC1)OC(C1C2CC(CC2)C1)=O)=O
MCULE-4698039751 0.66 N[C@H]1[C@H]2[C@H](OC(C2)=O)C1
MCULE-6328601195 0.66 NC1CC(C(OC2COCC2)=O)C1
MCULE-8338562644 0.66 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(CCC4(O)C3CCC2(C1)[H])C(OC)=O)OC(C)=O
MCULE-4343105549 0.66 CC12CC(O)C3([H])C4(CCC(OC(=O)C)CC4([H])CCC3([H])C1([H])CCC2(O)C(=O)COC(=O)C)C
MCULE-8269449734 0.66 [C@@]12([H])[C@@H](OC(=O)[C@H]1CO)C[C@H](C)[C@@]2([H])CO
MCULE-6528195979 0.66 O=C(OC1C(C#N)CCCC1)CC1C2CC(CC2)C1
MCULE-4470386600 0.66 CC1(OC(C(O)=O)CC1)CC1OCCC1
MCULE-6863418195 0.66 CCCCCC(OC(CCCCN(C)C)C)=O
MCULE-9601802108 0.66 CC(C(N)=O)(CC1OCCC1)O
MCULE-5889356931 0.66 C12(CCC(=O)O1)C1CCC(C1(C)C)(C)C2=O
MCULE-4123193439 0.66 O=C(C1CCCC1)OC1C(C#N)CCCC1
MCULE-1782582084 0.66 O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CCC2(C1)[H])C(COC(C)=O)=O
MCULE-6111041066 0.66 C12[C@H](OC(=O)CC)CC3(C)[C@@]([C@H](C)CC3C1CC[C@@]1([H])CC(CCC21C)OC(=O)CC)(O)C(=O)C
MCULE-5904589168 0.66 C12C3C4C5C3C1C1C(=O)OC(=O)C1C5C24
MCULE-8161821906 0.66 CC(C[C@@H](CC(OC(C(C)C)C)=O)CN)C
MCULE-8359484872 0.66 CCC1C(OC(CCC2OCCC2)=O)CCCC1
MCULE-9326778595 0.66 CCC1OCC(CC=O)(O)C1
MCULE-6302347162 0.66 CC(CCC(OC1CCCCC1)=O)(N)C
MCULE-8822755404 0.66 CC1C(CCC(O)=O)(O)COC1
MCULE-1649172188 0.66 C1(=O)C(C(C)C)CC(CO)O1
MCULE-5613600579 0.66 O1C(=O)CC2C(C=O)CCC12
MCULE-6878377699 0.66 C12C3C4C5C(=O)OC(=O)C5C1C1C2(C)C3(C)C41
MCULE-1557076999 0.66 CC(COC(C[C@H](CC(C)C)CN)=O)C
MCULE-5004716450 0.66 CCC(OC(C[C@H](CC(C)C)CN)=O)C
MCULE-6669624919 0.66 O=C1OC(=O)C2(CC3CC(CC3)C2)C1
MCULE-2326775471 0.66 C12C3C4C5C(=O)OC(=O)C5C1C15C2C3C41CCCC5
MCULE-5141373173 0.66 CC(C1OCC(CC=O)(O)C1)C
MCULE-6996056409 0.66 C12C3C4C5C(=O)OC(=O)C5C1C1C2(C)C3C41
MCULE-4219779686 0.66 C12C3C4C5C(=O)OC(=O)C5C1C1C2(COC(=O)C)C3C41
MCULE-3230541026 0.66 CCCC(OC(CC(CC(C)=O)(C)C)=O)CCOC(CC(CC(C)=O)(C)C)=O
MCULE-7834175041 0.66 C12CCC(C(C)OC(=O)C)C1(C)CCC1C3(C)CCC(=O)C[C@]3([H])CCC21
MCULE-9108579368 0.66 [C@]12(C)CCCC(=O)[C@]1(C)CC[C@@H]2[C@H](C)COC(C)=O
MCULE-7170701411 0.66 O=C(C1CCCCC1)OC1CCCCC1
MCULE-7548186826 0.66 C12CC3CC(CC(C3)C1COC(=O)C1(CCCCC1)C)C2
MCULE-1416228379 0.66 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1)OC(C)=O
MCULE-1003241522 0.66 C12(C)CCC(C(C)=O)CC1CCC1C3C(C)(CCC21)C(OC(C)=O)CC3
MCULE-3480016146 0.66 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CCC2(C1)[H])C(O)=O
MCULE-5682812292 0.66 CC1(C(OCC23CC4CC(CC(C4)C2)C3)=O)CCCCC1
MCULE-3837802763 0.66 C1CCCC(COC(CCCCC(OCC2CCCCC2)=O)=O)C1
MCULE-7489729502 0.66 C1(CCCCCC)CCOC1=O
MCULE-2670149083 0.66 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@@H]2C(O)=O)[H]
MCULE-4418743794 0.66 C1(C(CCCCCCCCCCC(O)=O)CCO1)=O
MCULE-8762650671 0.66 O=C1CCC2(C)C(C1)(CCC1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC(C21)OC(C)=O)[H]
MCULE-9865183654 0.66 C(C)(=O)OC1CCC2(C)C3CCC4(C)CC(CC4C3CCC2(C1)[H])=O
MCULE-2429094011 0.66 C1(CC(C)CCC1C(C)C)OC(=O)C1CCC(C(=O)OC2CC(C)CCC2C(C)C)CC1
MCULE-3385554756 0.66 O=C1CC2(C)C3CCC4(C)C(CCC4C3CCC2(CC1)[H])OC(C)=O
MCULE-7551178459 0.66 C12CCC3(C)C(CCC3C1CCC1CCCC(=O)C21C)OC(=O)C
MCULE-3166371929 0.66 C12(C)CCC3C(CCC4([H])CC(=O)CCC34C)C1CCC2(C)OC(C)=O
MCULE-9697320146 0.66 [C@]12(C)CCC3[C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)C1CC[C@]2(C)OC(C)=O
MCULE-7861314355 0.66 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2OC(C)=O)[H]
MCULE-9064624408 0.66 [H]C12CCCCC1(C)C1CCC3(C)C(CCC3C1CC2=O)OC(C)=O
MCULE-9338438818 0.66 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2(C1)[H])=O
MCULE-9145127134 0.66 C(OCC)(=O)C1(CCCC1)O
MCULE-6702392455 0.66 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2(C1)[H])=O
MCULE-8890616965 0.66 CCC[C@@]1(CC[C@@](OC([C@@]2(CC[C@@]([C@@]3(CC[C@@](CCC)(CC3)[H])[H])(CC2)[H])[H])=O)(CC1)[H])[H]
MCULE-9486731192 0.66 C(CCCCCCCCCCCCCCCCCCCCC)[C@@H](O)C(=O)OCC
MCULE-3897208487 0.66 C12(C)CCC3C(CCC4CC(=O)CCC34C)C1CCC2OC(C)=O
MCULE-8904342066 0.66 CC(C1C(OC(CO)=O)CC(C)CC1)C
MCULE-4292201487 0.66 C1(C(OCC2CCCCC2)=O)CCCCC1
MCULE-3647202316 0.66 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)CCC(O)=O)CCC4C3CCC2(C1)[H])=O
MCULE-9962130573 0.66 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2C1)OC(C)=O
MCULE-4303008298 0.66 C12C(C)(C)C(C)(C(OC(=O)CCCC)C1)CC2
MCULE-4802281287 0.66 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@]2([H])CC(OC)=O)[H]
MCULE-7049308679 0.66 O=C(OCC)C(O)(CC)CCC(C)C
MCULE-6475414699 0.66 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CCC2C1)C(OC)=O
MCULE-4327573427 0.66 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)CC(OC)=O)CCC4C3CCC2(C1)[H])OC(C)=O
MCULE-2811712616 0.66 [C@]1(C(OCC)=O)(C(N)=O)O[C@]21CCC1C3C(CC[C@]21C)[C@@]1(C)CCC(CC1CC3)OC(C)=O
MCULE-5092264479 0.66 [C@]123CCC4(C[C@]1(C)C1C(C5CC[C@](O)(C(=O)COC(C)=O)[C@]5(CC1)C)C[C@@H]2O3)OCCO4
MCULE-7356710351 0.66 C123CCC4(CC1(C)C1C(C5CCC(O)(C(=O)COC(C)=O)C5(CC1)C)CC2O3)OCCO4
MCULE-4216057923 0.66 C1(C)(C(OC)=O)C2CCC3(O2)COC(=O)C13
MCULE-9881348957 0.66 OC([C@H]1[C@@H]2[C@]3(O[C@@H]1CC3)COC2=O)=O
MCULE-3986602871 0.66 C12C3CC4C(OC(=O)C14)C3OC2=O
MCULE-7262891035 0.66 COC(C1C2(CC(C)C2)OCC1O)=O
MCULE-4784759877 0.66 Cl.CC(C[C@@H](CC(OCCC1C(=O)OCC1)=O)CN)C
MCULE-4090127882 0.66 COC(C1C2(CCC2)OCC1O)=O
MCULE-9812539497 0.66 [C@@H]1(OC(CC(C)C)=O)[C@@H](OC(CC(C)C)=O)[C@H](OC(CC(C)C)=O)[C@@H]([C@H](OC(CC(C)C)=O)[C@H]1OC(CC(C)C)=O)OC(C)=O
MCULE-8411552473 0.66 CCOC(C(C1(OCC)CCCC1)N)=O
MCULE-6202267745 0.66 C12(C)C(C(O)=O)OC(=O)C(CC1)C2(C)C
MCULE-6723069628 0.66 [C@@H]1(OC(CC(C)C)=O)[C@@H](OC(CC(C)C)=O)[C@H](OC(CC(C)C)=O)[C@@H]([C@H](OC(CC(C)C)=O)[C@H]1OC(CC(C)C)=O)O
MCULE-4043691024 0.66 [C@]12(C)CC[C@@H]([C@@](C)(COC(C)=O)C1CC[C@@H](C)[C@@]12CC[C@](CCOC(C)=O)(COC(C)=O)O1)OC(C)=O
MCULE-8662466947 0.66 COC(C1C(C2CCC2)OCC1O)=O
MCULE-1808937858 0.66 COC(C1C2(C(C)CC2)OCC1O)=O
MCULE-7593468940 0.66 COC(C1C(C2CC2)OCC1O)=O
MCULE-2301043539 0.66 C12(CCC3CC13)OC2(CC)C(OC)=O
MCULE-5597519105 0.66 O1C(CC(CCCC)C1=O)C(O)=O
MCULE-9225722842 0.66 NCC1C2(CCC2)CC(=O)O1
MCULE-7922357873 0.66 COC(C1C(C2CC2)(C)OCC1O)=O
MolPort-002-511-382 0.66 CCOC(=O)[C@]1(O[C@@]11CCC2C3CCC4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O)C(N)=O
MolPort-002-806-682 0.66 COC(=O)C1(C)C2CCC3(COC(=O)C13)O2
MolPort-002-691-850 0.66 CC(=O)OCC(=O)[C@@]1(O)CCC2C3C[C@@H]4O[C@@]44CCC5(C[C@]4(C)C3CC[C@]12C)OCCO5
MolPort-042-683-850 0.66 OC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2
MolPort-002-730-171 0.66 O=C1OC2C3CC4C2OC(=O)C4C13
MolPort-002-538-377 0.66 CCC[C@@]1(OC11CCCCC1)C(=O)OCC
MolPort-023-188-921 0.66 CCOC(=O)C(N)C1(CCCC1)OCC
MolPort-002-510-311 0.66 CCCCC1CC(OC1=O)C(O)=O
MolPort-002-529-771 0.66 C[C@@H]1CCC2[C@](C)(COC(C)=O)[C@H](CC[C@]2(C)[C@@]11CC[C@](CCOC(C)=O)(COC(C)=O)O1)OC(C)=O
MolPort-002-800-217 0.66 CC(C)CC(=O)O[C@H]1[C@@H](O)[C@@H](OC(=O)CC(C)C)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C
MolPort-002-800-219 0.66 CC(C)CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@H](OC(=O)CC(C)C)[C@@H](OC(=O)CC(C)C)[C@@H]1OC(=O)CC(C)C
MolPort-044-232-209 0.66 Cl.CC(C)C[C@H](CN)CC(=O)OCCC1CCOC1=O
MolPort-045-999-023 0.66 CC(C)CC1CC(C)(OC1=O)C(O)=O
MolPort-009-606-894 0.65 O=C(OC12CC3CC(CC(C3)C1)C2)C(C(=O)OC12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2
MolPort-006-705-234 0.65 Cl.CCOC(=O)CC1(N)CCCCC1
MolPort-006-708-703 0.65 Cl.CCOC(=O)[C@@H]1CCCC[C@H]1N
MolPort-005-312-846 0.65 Cl.CCOC(=O)[C@@H](N)C1CCCC1
MolPort-003-987-191 0.65 CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-941-243 0.65 CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-395-647 0.65 Cl.CCOC(=O)C1CCCCC1N
MolPort-020-004-233 0.65 Cl.CC(C)(C)OC(=O)[C@@H](N)C1CCCCC1
MolPort-035-395-350 0.65 Cl.CC(C)(C)OC(=O)C(N)C1CCCCC1
MolPort-002-712-548 0.65 CC12CC(=O)C(C)(C1)C1C2C(=O)OC1=O
MolPort-027-677-813 0.65 CCCCOC1CC(OC(=O)CC2CCCO2)C1(C)C
MolPort-029-943-062 0.65 CC1CCC(=O)CC(O)C(O)CC(=O)O1
MolPort-002-054-033 0.65 Cl.CCOC(=O)[C@@H]1CCCC[C@@H]1N
MolPort-035-838-868 0.65 CC(C)(C)CCCC(=O)OC1C2CCOC2C1(C)C
MolPort-000-000-893 0.65 Cl.CCOC(=O)C1(N)CCCCC1
MolPort-046-202-877 0.65 Cl.CCOC(=O)C(N)CC1CCCCC1
MolPort-038-949-459 0.65 Cl.CCOC(=O)C(CN)C1C2CC3CC(C2)CC1C3
MolPort-044-562-058 0.65 Cl.CCOC(=O)C1C(N)C2CCC1CC2
MolPort-046-203-251 0.65 Cl.CC(C)(C)OC(=O)[C@@H](N)CC1CCCCC1
MolPort-044-729-861 0.65 Cl.CC(C)(C)OC(=O)C1(N)CCCCC1
MolPort-046-203-249 0.65 Cl.CC(C)(C)OC(=O)[C@H](N)CC1CCCCC1
MolPort-046-142-156 0.65 Cl.CCOC(=O)C1(C)CCCCC1N
MolPort-046-033-537 0.65 CC(C)[C@@H](C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C
MolPort-045-971-553 0.65 Cl.CCOC(=O)C(N)C1CCCCC1
MolPort-035-865-489 0.65 CC(C)C(C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
MolPort-046-202-992 0.65 Cl.CCOC(=O)[C@@H](N)CC1CCCCC1
MolPort-042-604-223 0.65 Cl.CC(C)C[C@H](CN)CC(=O)OCC1CCC1
MolPort-046-202-989 0.65 Cl.CCOC(=O)[C@H](N)CC1CCCCC1
MolPort-044-559-291 0.65 Cl.CCOC(=O)[C@@H]1[C@@H](N)C2CCC1CC2
MolPort-042-604-244 0.65 Cl.CC(C)C[C@H](CN)CC(=O)OCCCCCO
MolPort-046-203-252 0.65 Cl.CC(C)(C)OC(=O)C(N)CC1CCCCC1
MolPort-028-196-369 0.65 COC1CCCC(C1)OC(=O)CC(C)(C)C
MolPort-046-165-294 0.65 O=C1OC2CCC1C2
MolPort-001-759-209 0.65 O=C1CC2(CCCC2)C(=O)O1
MolPort-001-759-208 0.65 O=C1CC2(CCCCC2)C(=O)O1
MolPort-011-888-834 0.65 CC1(CC(=O)OC1=O)C1CCCCC1
MolPort-046-689-697 0.65 C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-111-468 0.65 OC1CCCCC1CC1CCOC1=O
MolPort-044-744-207 0.65 O=C1CC(C2CCCCC2)C(=O)O1
MCULE-8356365817 0.65 CCOC(C1(C2(CCCCC2)C1)N)=O
MCULE-7827870007 0.65 CCCCOC1C(C)(C)C(OC(CC2OCCC2)=O)C1
MCULE-9053073116 0.65 CCOC(C1(C2(CCCCC2)CC1)N)=O
MCULE-3970463821 0.65 CCOC(C(C1CCCCC1)N)=O.Cl
MCULE-4323865421 0.65 C1[C@@]2(C)[C@@]([H])(C(OC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@H]([C@H]([C@H](O)[C@H](C)C(C)C)O)C)[C@@]4(C)CC[C@]23[H])=O)C[C@H](O)[C@@H]1O
MCULE-5982025088 0.65 CCCCCCOC(CCC(CN)=O)=O
MCULE-4319354097 0.65 C1(=O)C2(CCCCC2)CC(=O)O1
MCULE-2958157123 0.65 C1C2CC(OC2=O)C1
MCULE-7074922238 0.65 C1CCCCCCC2C(=O)OC(=O)C2CC1
MCULE-4135648769 0.65 O=C1CCC2(C)C3C(CC4(C)CC(CC4C3CC(C2(C1)[H])OC(C)=O)OC(C)=O)OC(C)=O
MCULE-8068742263 0.65 O1C(CC2(C)C3CCC4(C)C(CCC4C(C)CCCC(C)C)C3CCC2(CC1=O)[H])=O
MCULE-3682020697 0.65 C1(=O)OCCC1CC1CCCCC1O
MCULE-9436615479 0.65 C(C)(=O)OC1CCC2(C)C3(O)C(CC4(C)C(CCC4C3CCC2(C1)[H])C(C)([H])OC(C)=O)=O
MCULE-8239017299 0.65 C1(=O)C2(CCCC2)CC(=O)O1
MCULE-4952533681 0.65 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(CCC4C3CCC2C1)C(OC)=O)=O
MCULE-5503440146 0.65 C12(C)CC(C(CC1OC(C)=O)C2(C)C)=O
MCULE-2484787933 0.65 C(C)(=O)OC1CCC2(C)C3C4C(C5(C)C(C(C)CCC(OC)=O)CCC5C3CCC2C1)O4
MCULE-9893905164 0.65 [C@]12(C)COC(C[C@]1([H])CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
MCULE-7280371406 0.65 C1(=O)C2(C(C)CCC2C)CC(=O)O1
MCULE-5957923165 0.65 C1(=O)C2(CCC(C)(C)C2)CC(=O)O1
MCULE-4356138438 0.65 C1(=O)C2(CCCC2(C)C)CC(=O)O1
MCULE-5093874653 0.65 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(CCC4C3C(CC2(C1)[H])OC(C)=O)C(C)=O)OC(C)=O
MCULE-6425068550 0.65 CCOC1C2(CCCCC2)C(OC(C(C)C)=O)C1
MCULE-1864544364 0.65 COC1CC(OC(CC(C)(C)C)=O)CCC1
MCULE-1596854323 0.65 C1(OC(C2(C1)CCCC(C)(C)C2)=O)=O
MCULE-4581149680 0.65 O1C(CC2CC3CC2C1C3)=O
MCULE-5753583761 0.65 CC1(C(=O)OC(=O)C1)CC1CCCC1
MCULE-3068806367 0.65 O[C@@]1(C)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@@]21C
MCULE-4600250952 0.65 O1C(C(C)(C)C2(CCC3(C)C4(C)CCC5(C)CCC(C(C)C)C5(C4(CCC3C2(C)CC1=O)[H])[H])[H])=O
MCULE-5769297339 0.65 C1(OC(=O)CC(C1)CC(N)=O)C1CC(CC(C)C1=O)C
MCULE-9965708201 0.65 NC(C(O)=O)C(C1OCCCC1)O
MCULE-3980084942 0.65 C1CC2(C)C3C(O)CC4(C5(OC(=O)CC5)CCC4C3CC3C(=O)C(C23C#N)C1=O)C
MCULE-4967146360 0.65 Cl.CC(C[C@@H](CC(OCCCOCC=C)=O)CN)C
MCULE-2484704323 0.65 C1(=O)OC2(C(C(OCC)=O)C1C(OCC)=O)CCCCC2
MCULE-5165751246 0.65 [C@@]12(CC[C@@H](C[C@]1(CC[C@]1([H])C2CC[C@]2([C@]1(O)CC[C@@H]2C(=O)COC(C)=O)C)OC(C)=O)OC(C)=O)C(O)=O
MCULE-3511196057 0.65 C1(=O)OC2(C(C(OCC)=O)C1C(OCC)=O)CCCC2
MCULE-1234200924 0.65 N[C@H]1[C@H]2[C@H](OC(C2)=O)C1.Cl
MCULE-4397501862 0.65 C1(CC)(C(OC)=O)C2(O1)CCCC2
MCULE-7427420843 0.65 C1(CC)(C(OC)=O)OC21CCCCC2C
MCULE-3376318794 0.65 C1(O)C(O)C(OC1([H])C(O)CO)=O
MCULE-5825826400 0.65 C1(CC)(C(OC)=O)OC21CCCC2C
MCULE-9572110024 0.65 O1[C@@H]([C@@]([H])(CO)O)[C@H]([C@@H](O)C1=O)O
MCULE-9137674819 0.65 C(CCCCCCCCCCOCCO)(NN)=O
MCULE-2223180687 0.65 C1(CC)(C(OC)=O)OC21CCCC2(C)C
MCULE-6506100666 0.65 O[C@H]1C(=O)O[C@@H]([C@H](O)CO)[C@H]1O
MCULE-7480849231 0.65 C1(O[C@H]([C@@H](CO)O)[C@H](O)[C@@H]1O)=O
MCULE-5186719264 0.65 C1(CC)(C(OC)=O)OC21CCC(C)(C)C2
MCULE-2836319148 0.65 CC(C[C@@H](CC(OCC(C(C)(C)C)=O)=O)CN)C
MCULE-5891588113 0.65 C(C)(=O)OC1CCC2(C3CCC4(C)C(CCC4(C3CCC2(C1)OC(C)=O)[H])C(OCC)=O)C(O)=O
MCULE-7354559084 0.65 CCC1OCC(C(OC)=O)(O)C1
MCULE-5710223347 0.65 C(C)(=O)OC1CCC2(C3CCC4(C)C(CCC4(C3CCC2(C1)OC(C)=O)[H])C(OCC)=O)C(OCC)=O
MCULE-4197557912 0.65 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CC(C4(O)C3CCC2(C1)[H])OC(C)=O)C(OC)=O)=O
MCULE-8972726907 0.65 OC(C1OC2(CCOCC2)CC1)=O
MCULE-2866591530 0.65 C1(CC)(C(OC)=O)C2(O1)CCC(CC2)C
MCULE-3217769885 0.65 [C@H]1([C@@H](O)CO)OC(=O)[C@@H](O)[C@H]1O
MCULE-8179711931 0.65 O=C1[C@@H](O)[C@@H](O)[C@@H]([C@H](CO)O)O1
MCULE-9817109387 0.65 C1(CC)(C(OC)=O)OC21CCCC(C)C2
MCULE-7753615786 0.65 [C@H]1([C@@H](O)CO)OC(=O)[C@@H](O)[C@@H]1O
MCULE-9973838052 0.65 CC(COCCOC(C[C@H](CC(C)C)CN)=O)C
MCULE-2342881544 0.65 C1(CC)(C(OC)=O)OC21CCC(C)C2
MCULE-8616425185 0.65 CC(CCOCCOC(C[C@H](CC(C)C)CN)=O)C
MCULE-1977398131 0.65 O=C(CCCCCCCCCN(=O)=O)OCCC
MCULE-2723398556 0.65 O=CC1(OC2COCC2)CCCCC1
MCULE-5782370861 0.65 COC(C1(CC(C(C)C)OC1)O)=O
MCULE-6052457026 0.65 [C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)C
MCULE-6406474540 0.65 C(CCC)CC1OC(=O)CC(O)C1
MCULE-8432062278 0.65 O=C(OCC)C1(CCCC1)CN
MCULE-3312548940 0.65 COC1(COCC1)CC1C(=O)CCCC1
MCULE-2988430147 0.65 COC1(COCC1)CC1C(=O)CCC1
MCULE-4132662846 0.65 C1[C@@H](C(=O)OCC)[C@@H](N)CC1
MCULE-5866370686 0.65 CC(COC(C[C@H](CC(C)C)CN)=O)C.Cl
MCULE-3601767113 0.65 [C@H]1(C(OCC)=O)CCC[C@@H]1N
MCULE-1298825602 0.65 C[C@@H](C(C1CC2(CCCC2)OCC1)=O)N
MCULE-5882871091 0.65 [C@]12(C)CCC(C[C@]1([H])CCC1C2CC[C@]2(C1CCC2=O)C)OC(CCC(O)=O)=O
MCULE-2186277279 0.65 [C@@H]1(C(OCC)=O)CCC[C@H]1N
MCULE-8985485469 0.65 [C@]12(C)CCC3C(CCC4CC(=O)CC[C@]34C)C1CCC2OC(CCC(O)=O)=O
MCULE-5912053047 0.65 Cl.CC(C[C@@H](CC(OC(C(C)C)C)=O)CN)C
MCULE-9793938299 0.65 O1C(C)COC(CCCCCCCCC1=O)=O
MCULE-7811996561 0.65 Cl.CCC(OC(C[C@H](CC(C)C)CN)=O)C
MCULE-1305947087 0.65 [C@H]1(C(=O)OCC)CCC[C@H]1N
MCULE-7151904075 0.65 [C@@H]1(C(OCC)=O)CCC[C@H]1N
MCULE-9857282632 0.65 O=C(OCC)C1CCCC1N
MCULE-6957813411 0.65 [C@H]1(C(OCC)=O)CCC[C@@H]1N
MCULE-6298538601 0.65 N[C@@H]1C[C@@H](C(OC2CCCCC2)=O)C1
MCULE-3680658466 0.65 CC(OC([C@H]1[C@@H](N)CCC1)=O)(C)C
MCULE-4252409704 0.65 C(C1(CCCC1)N)C(OCC)=O
MCULE-2712758437 0.65 C1(CN)(C(OC(C)(C)C)=O)CCCC1
MCULE-9324644701 0.65 [C@H]1(CCC[C@@H]1N)C(OCC)=O
MCULE-8141379492 0.65 NCCCCCCCC(N)C(OC(C)(C)C)=O
MCULE-9904981004 0.65 OC1(CC(C2CC2)OC1)CC=O
MCULE-7952590862 0.65 CC(OC([C@H]1[C@@H](N)CCC1)=O)C
MCULE-3606897920 0.65 O(CC)C([C@H]1CCC[C@H]1N)=O
MCULE-7704533798 0.65 CCOC(C(OC1CC(C)CCC1)=O)C
MCULE-3381359888 0.65 C(CCC(=O)OC1CCC2(C)C3CC(O)C4(C)C(C(C)CCC(OC)=O)CCC4C3CCC2(C1)[H])(O)=O
MCULE-4369283647 0.65 C(C)(=O)OC1CCC2(COC(C)=O)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C(COC(C)=O)(O)[H]
MCULE-2030922775 0.65 CC(OCCOC(C1C2CC(CC2)C1)=O)C
MCULE-6119098533 0.65 [C@@]12(C)[C@]([H])([C@@]3([H])[C@@]([H])([C@]4(C)[C@]([H])(CC3)C[C@H](OC(=O)CCC(=O)O)CC4)CC1)CC[C@]2([H])[C@H](C)CCC(=O)O
MCULE-2160708628 0.65 Cl.CC(CCC(OC1CCCCC1)=O)(N)C
MCULE-3974011024 0.65 C(O)(CCC(=O)OC1CCC2(C)C3CC(C4(C)C(C(CC(OC)=O)C)CCC4C3CCC2C1)=O)=O
MCULE-5484555816 0.65 CC1C(C2(CCCC2)CN)(O)COC1
MCULE-4393484878 0.65 [H]C12CC(O)CCC1(C)C1C(O)CC3(C)C(O)(CCC3C1CC2)C(COC(C)=O)(O)[H]
MCULE-8149747814 0.65 N[C@@H]1C[C@H](C(OC2CCCCC2)=O)C1
MCULE-5261625105 0.65 CCOCCCC(OCC1(CCCC1)O)=O
MCULE-4737304523 0.65 NC1CC(C(OC2CCCCC2)=O)C1
MCULE-9742320916 0.65 C1(=O)C(CC(CO)O)CC(CCCCC)O1
MCULE-8340874786 0.65 CCOC(C(OC1CCC(C(C)(C)C)CC1)=O)C
MCULE-2166645203 0.65 CCCCCCC(C(OCC)=O)(N)C
MCULE-7132205778 0.65 C(OC(=O)CCCCCCC)C(OC(=O)CCCCCCC)C
MCULE-4174963674 0.65 C(OCC)(=O)C(CCCCCC)(CC)N
MCULE-3866090573 0.65 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CCC2C1)C(C)=O)=O
MCULE-8438074507 0.65 C(C)(=O)OC1CCC2(C)C(C1)CC(C1C3CCC(C(C)CCC(OC)=O)C3(C)C(CC21)OC(C)=O)OC(C)=O
MCULE-1541540687 0.65 [C@]12(C)C[C@@H](OC(C)=O)C3[C@@]([H])(CCC4C[C@@H](CC[C@]34C)OC(C)=O)C1C[C@@H](C)[C@@H]2C(C)=O
MCULE-3304455720 0.65 C(C(C1OC1CCCCCCCC)O)CCCCCC(=O)O
MCULE-3619299828 0.65 O=C1CCC2(C)C3C(C4CCC(C(C)CCC(OC)=O)C4(C)C(C3)=O)C(CC2C1)OC(C)=O
MCULE-4679494869 0.65 CCOC(C1(C(C)CCCCC1)O)=O
MCULE-5078134243 0.65 [C@@]12(C)C(C(C)CCC(O)=O)CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](CC3(C[C@H]1OC(C)=O)[H])OC(C)=O)C[C@@H]2OC(C)=O)[H]
MCULE-4481261571 0.65 C12(C)CCC3(C(C(C(C)=O)CC3)C1CCC1C2(C)CCC2C1(C)CCC(OC(C)=O)C2(C)C)COC(C)=O
MCULE-5846128365 0.65 [C@@]12(C)[C@@H](C(C)=O)CCC1[C@]1(C([C@H](OC(C)=O)C2)[C@@]2(C)CCC(C[C@@]2(CC1)[H])=O)[H]
MCULE-1923893741 0.65 C1(CCCCCCCCCCC(CCCO1)=O)=O
MCULE-1554552667 0.65 [C@]12(C)CC[C@@]3([C@@]([H])(CC(CC3)(C)C)[C@]1(C)CC[C@@]1(C)[C@]3([C@@](C)([C@@H](C)OC(=O)CC3)CC[C@@]12[H])[H])CO
MCULE-3542504418 0.65 [C@@]12(C)[C@@]([H])(C(C)=O)CCC1[C@]1(C([C@@]3(C)CC[C@H](C[C@@]3(CC1)[H])OC(C)=O)C(=O)C2)[H]
MCULE-8044512953 0.65 O=C(C1CCCCC1)OC(=O)C1CCCCC1
MCULE-6950807309 0.65 C1(C(C)C)C2N3[C@@]45CCC[C@H]4C2(CCC2C4(OC(=O)C2(C(O)CC4)C)C)C(C(CC5)C3)(C)CC1
MCULE-9390870362 0.65 C12(C)CCC3(C([H])(C(OC(C)=O)CC4([H])CC(CCC34C)OC(C)=O)C1([H])CCC2([H])C(C)CCC(OC)=O)[H]
MCULE-2541218317 0.65 C12(C)CCCC(C)(C)C1CCC(C)(OC(=O)C)C2CC(=O)C
MCULE-5932174453 0.65 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C(CC2(C1)[H])=O)OC(C)=O
MCULE-6307141804 0.65 [C@@]12(C)CC[C@@]3(C([C@H](C(C)=O)CC3)[C@@]1([H])CCC1[C@@]2(C)CCC2[C@]1(C)CC[C@H](OC(C)=O)C2(C)C)COC(C)=O
MCULE-7068476910 0.65 [C@@]123CC[C@]4([C@@](C)(CCC[C@@]4(C)C(O)=O)C1CC[C@@]([C@H](OC(C)=O)C2)(C)C3)[H]
MCULE-3715816254 0.65 [H]C12CCCCC1(C)C1CCC3(C)C(C(CC3C1CC2)OC(C)=O)C(C)(OC(C)=O)[H]
MCULE-6768684955 0.65 O=C(C(O)O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
MCULE-6610625549 0.65 C(CCC1C(C)(C)OC(C1)=O)(C)=O
MCULE-8058925190 0.65 C(OCCO)(=O)CCCCCCCCCCCCC
MCULE-6821432182 0.65 C(CC(=O)OCCO)CCCCCCCCCCCCCCC
MCULE-2073701736 0.65 C12C(OC(=O)C)CC3CC(CCC3(C)C1CC(OC(=O)C)C1(C)C(CCC21)C(C)CCC(=O)O)OC(=O)C
MCULE-3743283246 0.65 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CCC2(C1)[H])=O)=O
MCULE-4037087067 0.65 [H]C12CCCCC1(C)C1CCC3(C)C(CCC3C1C(C2)=O)OC(C)=O
MCULE-9565336805 0.65 [C@@]12(C)[C@@]([H])([C@H](C)OC(C)=O)CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](C[C@]3(CC1)[H])OC(C)=O)C(=O)C2)[H]
MCULE-8657283989 0.65 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CCC2(C1)[H])C(C)(O)[H])=O
MCULE-1910533357 0.65 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CCC2(C1)[H])C(C)([H])OC(C)=O)=O
MCULE-7191742655 0.65 C(C)(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3C(CC2(C1)[H])=O
MCULE-2639127831 0.65 [C@@]12(C)[C@@H]([C@H](C)CCC(OC)=O)CCC1C1C([C@@]3(C)CC[C@H](C[C@]3(C[C@H]1OC(C)=O)[H])OC(C)=O)C[C@@H]2OC(C)=O
MCULE-1130314529 0.65 C1CC2(C)C(CC(OC(C)=O)C3C2CC(O)C2(C(C(CCC(=O)OC)C)CCC32)C)CC1OC(=O)C
MCULE-8277780600 0.65 C1(=O)C2CC3CC(CC(C3)C2)O1
MCULE-6981792497 0.65 O=C(C(O)O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
MCULE-3005523814 0.65 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)CCC(OC)=O)CCC4C3C(CC2(C1)[H])=O)OC(C)=O
MCULE-7056405953 0.65 C(CC(=O)OCCO)CCCCCCCCCCCCC
MCULE-3924618601 0.65 C12(CC3CC(C1)C(C(C3)C2)=O)OC(C)=O
MCULE-4871356889 0.65 [C@]12(C)CCC(CC1CC(C1C2CC[C@]2(C1CCC2OC(C)=O)C)=O)OC(C)=O
MCULE-7020466973 0.65 C12C(=O)CC3(C)C(CCC3C1CC[C@@]1(C)CC(CCC21C)OC(=O)C)=O
MCULE-4486017707 0.65 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3C(CC2(C1)[H])=O
MCULE-8124522954 0.65 C12(C)C(C(C)CCC(OCC)=O)CCC1C1C(C3(C)CCC(CC3CC1OC(C)=O)OC(C)=O)CC2O
MCULE-2818578072 0.65 O(C1CC2CC(O)CCC2(C)C2C1C1C(C)(C(O)C2)C(C(C)CCC(OC)=O)CC1)C(C)=O
MCULE-1285882043 0.65 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(CCC4C3CCC2(C1)[H])C(C)=O)=O
MCULE-5050677531 0.65 CC1OCC(CCC=O)(O)C1
MCULE-2559421369 0.65 C1(C(=O)OC2CC3C(C)(C)C2(C)CC3)CC1(C)C
MCULE-2480789384 0.65 C123CCC4(C(C)(CCCC4(C)C(O)=O)C1CCC(C(OC(C)=O)C2)(C)C3)[H]
MCULE-5587832169 0.65 C12(CCC(C(=O)O1)(C)C2(C)C)C(N)=O
MCULE-2972804830 0.65 [C@]12(CC[C@](C(=O)O1)(C)C2(C)C)C(N)=O
MCULE-7712905681 0.65 O=C([C@H]([C@]1(OC(=O)CC1)C(=O)O)CCCCCCCCCC)O
MCULE-6404780549 0.65 C1[C@](OC(C1)=O)([C@@H](C(O)=O)CCCCCCCCCC)C(O)=O
MCULE-8910579080 0.65 CCCCCCCCCCC(C1(C(=O)O)OC(=O)CC1)C(=O)O
MCULE-3811478133 0.65 C(O)(C1CC2(C3C41CC(CC3)OC4=O)OCCO2)=O
MCULE-3109239959 0.65 C1(C2OC(=O)C(C)C2O)OC(CCC(=O)O)CCC1
MCULE-8225708718 0.65 C12(CCC(C(=O)O1)(C)C2(C)C)C(OC)=O
MCULE-4872732447 0.65 C12(CCC(C(=O)O1)(C)C2(C)C)C(OCC)=O
MCULE-3498660084 0.65 C12(CCOC(C)(C)C1)C(CC(=O)O2)C#N
MCULE-4332598389 0.65 C1C(C)OC(=O)CC(O)C(O)CC(=O)C1
MCULE-1313808086 0.65 [C@H](N)(CCC1CCCCC1)C(OCC)=O.Cl
MCULE-2170818284 0.65 [C@@H]1(O)C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)[C@@H](O)[C@H](O)[C@@H](C)C(C)C)CC[C@H]4[C@@H]3COC(=O)[C@H]2C[C@@H]1O
MCULE-4084225680 0.65 Cl.C(C1(CCCCC1)N)C(OCC)=O
MCULE-5621548150 0.65 COC(C(C1(COC(C)CC1)O)C)=O
MCULE-2033731298 0.65 CC(CCCC(OC1C(C)(C)C2C1CCO2)=O)(C)C
MCULE-3893623605 0.65 O=C([C@H](C1CCCCC1)N)OC(C)(C)C.Cl
MCULE-4675578239 0.65 Cl.CCOC(C1C(N)CCCC1)=O
MCULE-2536498192 0.65 CC(C[C@@H](CC(OCC1CCC1)=O)CN)C.Cl
MCULE-1030194046 0.65 CCOC(C1(CCC2(CC2)CC1)N)=O
MCULE-3083481818 0.65 C12(CCC(C1(C)C)C2)CC(N)C(=O)OC(C)(C)C
MCULE-3259808089 0.65 CCOC([C@H]1[C@@H](N)CCCC1)=O.Cl
MCULE-8053383303 0.65 CC(OC(C1(CCCCC1)N)=O)(C)C.Cl
MCULE-1436187600 0.65 Cl.CC(C[C@@H](CC(OCCCCCO)=O)CN)C
MCULE-4819555160 0.65 CCOC(C1(C2(CCCC2)CC1)N)=O
MCULE-4217639702 0.65 COCCCCOC(C[C@H](CC(C)C)CN)=O
MCULE-3852652744 0.65 Cl.CCOC(C(C1C2CC3CC(C2)CC1C3)CN)=O
MCULE-2838994886 0.65 [H]Cl.C(OC(C)(C)C)(=O)[C@@H](N)C1CCCCC1
MCULE-6922009105 0.65 C12(C)CC(C3C1C(=O)OC3=O)(CC2=O)C
MCULE-3907391294 0.65 Cl.CCOC(C1(CCCCC1)N)=O
MCULE-2293858646 0.65 C[C@]12CC[C@]3([H])[C@]4(C[C@@H](O)[C@@H](O)C[C@]4([H])C(=O)OC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)[C@@H](O)[C@H](O)[C@H](C)C(C)C)C
MCULE-3158116515 0.65 [C@@H]1(O)C[C@@]2([C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)[C@@H](O)[C@H](O)[C@H](C(C)C)C)CC[C@@]4([H])[C@]3([H])COC(=O)[C@@]2([H])C[C@@H]1O)C
MCULE-6800321608 0.65 Cl.CCOC(C1(C(N)CCCC1)C)=O
MCULE-4459164266 0.65 C12(CCC(C1)C2)CC(N)C(=O)OC(C)(C)C
MolPort-001-939-898 0.65 CCOC(=O)C1C(C(=O)OCC)C2(CCCC2)OC1=O
MolPort-002-083-859 0.65 CCOC(=O)C1C(C(=O)OCC)C2(CCCCC2)OC1=O
MolPort-006-668-320 0.65 CC1CC(C)C(=O)C(C1)C1CC(CC(N)=O)CC(=O)O1
MolPort-042-604-252 0.65 Cl.CC(C)C[C@H](CN)CC(=O)OCCCOCC=C
MolPort-046-419-899 0.65 Cl.N[C@@H]1C[C@H]2OC(=O)C[C@@H]12
MolPort-002-524-650 0.65 CC(=O)OCC(=O)[C@H]1CC[C@]2(O)[C@@H]3CC[C@@]4(C[C@H](CC[C@@]4(C3CC[C@]12C)C(O)=O)OC(C)=O)OC(C)=O
MolPort-002-524-738 0.65 CC(=O)O[C@H]1C[C@@]2(C)[C@@H]3C[C@H](OC(C)=O)C4[C@]5(C[C@@]35CC[C@]2(C)[C@H]1[C@@]1(C)CC[C@H](O1)C(C)(C)OC(C)=O)CC[C@H](OC(C)=O)C4(C)C
MolPort-000-761-014 0.65 CC(=O)OC1C[C@@]2(C)C3C[C@H](OC(C)=O)C4[C@]5(C[C@@]35CC[C@]2(C)C1[C@]1(C)CC[C@@H](O1)C(C)(C)OC(C)=O)CCC(OC(C)=O)C4(C)C
MolPort-002-507-103 0.65 OCC(O)[C@@H]1OC(=O)[C@H](O)[C@@H]1O
MolPort-046-702-544 0.65 OC[C@@H](O)[C@H]1OC(=O)[C@H](O)[C@H]1O
MolPort-003-934-459 0.65 OC[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@@H]1O
MolPort-003-934-457 0.65 OC[C@@H](O)[C@@H]1OC(=O)[C@H](O)[C@H]1O
MolPort-042-604-217 0.65 CC(C)CCOCCOC(=O)C[C@@H](CN)CC(C)C
MolPort-006-069-094 0.65 OC[C@@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
MolPort-001-781-812 0.65 OCC(O)C1OC(=O)C(O)C1O
MolPort-042-621-235 0.65 CC(C)(C)OC(=O)[C@H]1CC[C@@H](CC1)C(=O)NN
MolPort-002-911-505 0.65 OC[C@H](O)C1OC(=O)[C@@H](O)[C@H]1O
MolPort-009-653-460 0.65 O.O.O.[Na+].C[C@@H]1CCC2[C@](C)(CO)[C@@H](O)CC[C@]2(C)[C@@]11CC[C@@](CO)(CC([O-])=O)O1
MolPort-046-419-530 0.65 O=C1OC2C3CC(CC13)C2=O
MolPort-003-929-463 0.65 OC[C@H](O)[C@@H]1OC(=O)[C@H](O)[C@@H]1O
MolPort-001-917-558 0.65 NNC(=O)CCCCCCCCCCOCCO
MolPort-002-525-586 0.65 OC[C@@H](O)[C@@H]1OC(=O)[C@H](O)[C@@H]1O
MolPort-044-180-773 0.65 [Na+].CC1CCC2C(C)(CO)C(O)CC[C@]2(C)C11CCC(CO)(CC([O-])=O)O1
MolPort-046-687-487 0.65 OC(=O)C1CCC2(CCOCC2)O1
MolPort-001-970-706 0.65 C[N+](C)(C)CCCCOC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-003-929-829 0.65 OC[C@H](O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
MolPort-002-523-509 0.65 C[C@@H]1CC[C@H]2C(C[N+](C)(C)C)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12
MolPort-027-685-472 0.65 CCOCCCC(=O)OCC1(O)CCCC1
MolPort-044-770-145 0.65 COC(=O)[C@@]1(O)CCCC[C@H]1N
MolPort-006-118-709 0.65 CCCCCCCC(=O)OCC(C)OC(=O)CCCCCCC
MolPort-002-509-034 0.65 CC1COC(=O)CCCCCCCCC(=O)O1
MolPort-006-117-583 0.65 CCCCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCCCC
MolPort-002-511-266 0.65 CCCCCC1CC(CC(O)CO)C(=O)O1
MolPort-046-765-279 0.65 CCCCCCCCCCC[C@@H]1C[C@@H](O)[C@@H](CCCCCC)C(=O)O1
MolPort-046-597-082 0.65 C[C@]12CCC3C(CC[C@H]4CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(O)=O
MolPort-004-781-253 0.65 CCOC(=O)[C@H]1CCC[C@H]1N
MolPort-004-781-252 0.65 CCOC(=O)[C@@H]1CCC[C@@H]1N
MolPort-028-175-700 0.65 CC(C)OCCOC(=O)C1CC2CCC1C2
MolPort-004-781-219 0.65 CCOC(=O)[C@H]1CCC[C@@H]1N
MolPort-044-729-931 0.65 CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1N
MolPort-019-931-693 0.65 CCCCCC1CC(O)CC(=O)O1
MolPort-033-425-603 0.65 CC(C)(C)OC(=O)C1(CN)CCCC1
MolPort-013-880-757 0.65 CCOC(=O)C1(CN)CCCC1
MolPort-020-250-437 0.65 CCOC(=O)CC1(N)CCCC1
MolPort-035-741-502 0.65 CCOC(C)C(=O)OC1CCC(CC1)C(C)(C)C
MolPort-002-521-727 0.65 C[C@]12CCC3C(CCC4CC(=O)CC[C@]34C)C1CCC2OC(=O)CCC(O)=O
MolPort-046-194-982 0.65 CC(C)(C)OC(=O)C(N)CCCCCCCN
MolPort-021-608-355 0.65 CC(C)(C)OC(=O)C1CCCC1N
MolPort-021-458-642 0.65 CC(C)(C)OC(=O)CC1(N)CCCC1
MolPort-046-158-370 0.65 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
MolPort-022-371-651 0.65 CCOC(=O)C1(C)CCCC1N
MolPort-042-621-298 0.65 Cl.CCCOC(=O)C[C@@H](CN)CC(C)C
MolPort-011-905-098 0.65 CCCCCCC(C)(N)C(=O)OCC
MolPort-020-166-742 0.65 Cl.CC(C)(N)CCC(=O)OC1CCCCC1
MolPort-002-514-990 0.65 C[C@]12CCC3C(CC[C@H]4CC(CC[C@]34C)OC(=O)CCC(O)=O)C1CCC2=O
MolPort-042-605-756 0.65 Cl.CC(C)COC(=O)C[C@@H](CN)CC(C)C
MolPort-044-206-783 0.65 Cl.CC(C)C[C@H](CN)CC(=O)OC(C)C(C)C
MolPort-042-605-754 0.65 Cl.CCC(C)OC(=O)C[C@@H](CN)CC(C)C
MolPort-046-195-920 0.65 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
MolPort-046-765-241 0.65 CCCCCCCCCC(=O)OCCO
MolPort-042-646-621 0.65 CC(=O)O[C@@H]1C[C@@]2(C)C(CCC2C(C)=O)C2CC[C@@H]3CC(=O)CC[C@]3(C)C12
MolPort-046-700-661 0.65 O=C1CCC2(CCC2)O1
MolPort-046-702-171 0.65 N.CCCCCCC(O)CCCCCCCCCCC(=O)OCCO
MolPort-046-597-784 0.65 C[C@@H]1CC2C3CCC4C[C@@H](CC[C@]4(C)C3[C@@H](C[C@]2(C)C1C(C)=O)OC(C)=O)OC(C)=O
MolPort-002-523-453 0.65 CC(=O)OC[C@]12CC[C@H](C1[C@H]1CCC3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2)C(C)=O
MolPort-002-510-507 0.65 CC(=O)O[C@@H]1C[C@@]2(C)C(CC[C@@H]2C(C)=O)[C@@H]2CC[C@H]3CC(=O)CC[C@]3(C)C12
MolPort-044-721-395 0.65 CC1(C)CC1C(=O)OC1CC2CCC1(C)C2(C)C
MolPort-002-527-894 0.65 CC(CCC(O)=O)C1CC[C@H]2[C@@H]3[C@@H](CC4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C)OC(C)=O)OC(C)=O
MolPort-002-510-947 0.65 CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3C4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)C23)C1
MolPort-006-131-978 0.65 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C)OC(C)=O
MolPort-002-157-048 0.65 CCCCCC12CCC(CC1)(CC2)OC(=O)C1CC2(C1)CC(C2)C(=O)OC12CCC(CCCCC)(CC1)CC2
MolPort-005-938-050 0.65 CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(O)O
MolPort-006-116-047 0.65 CCCCCCCCCCCC(=O)OCCO
MolPort-006-116-048 0.65 CCCCCCCCCCCCCCCC(=O)OCCO
MolPort-006-123-673 0.65 CCCCCCCCCCCCCC(=O)OCCO
MolPort-007-980-878 0.65 CC(=O)O[C@@H]1C[C@@]23C[C@]1(C)CCC2[C@]1(C)CCC[C@](C)([C@H]1CC3)C(O)=O
MolPort-002-527-300 0.65 C[C@@H]1CC2[C@@H]3CCC4C[C@@H](CC[C@]4(C)C3[C@@H](C[C@]2(C)[C@H]1C(C)=O)OC(C)=O)OC(C)=O
MolPort-046-763-804 0.65 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
MolPort-046-763-805 0.65 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O)OC(C)=O
MolPort-002-530-195 0.65 C[C@H](OC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C(=O)C[C@]12C)OC(C)=O
MolPort-002-801-259 0.65 COC(=O)CC[C@@H](C)[C@H]1CCC2C3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)C3C[C@H](OC(C)=O)[C@]12C)OC(C)=O)OC(C)=O
MolPort-002-156-325 0.65 CCCC1CCC(CC1)C1CCC(CC1)OC(=O)C1CC2(C1)CC(C2)C(=O)OC1CCC(CC1)C1CCC(CCC)CC1
MolPort-039-338-034 0.65 CC(C)[C@@H]1CC[C@@H](C)CC1OC(=O)C(O)O
MolPort-002-911-109 0.65 CC(=O)OC1CCC2(C)C3C(CC[C@@]2(C)C1)C1CCC(=O)C1(C)CC3=O
MolPort-002-146-422 0.65 CC(=O)OC12CC3CC(C1)C(=O)C(C3)C2
MolPort-046-417-640 0.65 C.C.C.C.CCCCCCCCCCCCCCCCCC(=O)OCCO
MolPort-001-917-575 0.65 O=C1CCCCCCCCCCC(=O)OCCC1
MolPort-029-943-009 0.65 CCCCCCCCC1OC1C(O)CCCCCCC(O)=O
MolPort-046-683-527 0.65 C.CCCCCCC(O)CCCCCCCCCCC(=O)OCCO
MolPort-002-818-343 0.65 CC(=O)OC1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(CC1CC3=O)OC(C)=O
MolPort-044-755-252 0.65 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@H]23)C1
MolPort-002-154-428 0.65 CCCC12CCC(CC1)(CC2)OC(=O)C1CC2(C1)CC(C2)C(=O)OC12CCC(CCC)(CC1)CC2
MolPort-001-902-971 0.65 CC(=O)CC1C(C)(CCC2C(C)(C)CCCC12C)OC(C)=O
MolPort-000-653-730 0.65 O=C1OC2CC3CC(C2)CC1C3
MolPort-039-052-586 0.65 CC(C)C1CCC2(C)C3CC[C@]45CCC[C@H]4C2(CCC2C4(C)CCC(O)C2(C)C(=O)O4)C1N5C3
MolPort-005-895-375 0.65 CC12CC3(C)CC(COC(=O)C45CC6CC(CC(C6)C4)C5)(C1)CC(COC(=O)C14CC5CC(CC(C5)C1)C4)(C2)C3
MolPort-046-596-277 0.65 CC(OC(C)=O)C1CCC2C3CC[C@H]4C[C@@H](CC[C@]4(C)C3C(=O)C[C@]12C)OC(C)=O
MolPort-003-987-728 0.65 CC1(C)[C@@]2(C)CC[C@@]1(OC2=O)C(N)=O
MolPort-001-739-289 0.65 CCCCCCCCCC[C@H](C(O)=O)[C@@]1(CCC(=O)O1)C(O)=O
MolPort-035-785-189 0.65 CCCCCCCCCCC(C(O)=O)C1(CCC(=O)O1)C(O)=O
MolPort-000-198-782 0.65 COC(=O)C12CCC(C)(C(=O)O1)C2(C)C
MolPort-000-711-930 0.65 CC1(C)CC2(CCO1)OC(=O)CC2C#N
MolPort-019-931-850 0.65 CC1C(O)C(OC1=O)C1CCCC(CCC(O)=O)O1
MolPort-030-005-181 0.64 Cl.NCC1CC2(CCC2)C(=O)O1
MolPort-003-934-944 0.64 OC[C@H]1OC(=O)[C@H](O)[C@@H](O)[C@@H]1O
MolPort-006-822-499 0.64 CCCCCCCCCCCC(=O)OCCOCC(OCCO)C1OCC(OCCO)C1OCCO
MolPort-001-785-881 0.64 OCC1OC(=O)C(O)C(O)C1O
MolPort-046-764-394 0.64 O[13CH2][13C@H]1O[13C](=O)[13C@H](O)[13C@@H](O)[13C@@H]1O
MolPort-002-507-930 0.64 O=C1CC(C2CCCO2)C(=O)O1
MolPort-046-764-638 0.64 OC[C@H]1O[13C](=O)[C@H](O)[C@@H](O)[C@@H]1O
MolPort-001-983-370 0.64 OC(=O)C1CC(=O)OC11CCCC1
MolPort-002-507-312 0.64 OC[C@H]1OC(=O)[C@H](O)[C@@H](O)C1O
MolPort-044-752-442 0.64 Cl.NCC1OC(=O)CC11CCC1
MolPort-023-173-715 0.64 CC1(C)C(OC(=O)COC2CCCC2)C2CCCOC12
MolPort-003-666-440 0.64 OC[C@@H]1OC(=O)[C@@H](O)[C@H](O)[C@H]1O
MolPort-002-537-185 0.64 O=C1CC(C#N)C2(CCCCC2)O1
MolPort-044-616-306 0.64 CC(C)(C)OC(=O)C1CC2(C1)CCC(CN)O2
MolPort-000-696-712 0.64 OC(=O)C1CC(=O)OC11CCCCC1
MolPort-000-205-498 0.64 CC12COC3(CC1CCC23C)C([O-])=O
MolPort-039-052-476 0.64 CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H](CC[C@@]23C)[C@]2(C)CCC(=O)O2)[C@@]1(C)CCC(O)=O
MolPort-000-422-207 0.64 CC12COC3(CC1CCC23C)C(O)=O
MolPort-046-673-942 0.64 CC(C)(C)OC(=O)C1C2CCCC(N)C12
MolPort-020-092-317 0.64 O=C(CC1CCCO1)OC1CCC(CC1)OC(=O)CC1CCCO1
MolPort-046-675-101 0.64 CCOC(=O)C1C2CCCC(N)C12
MolPort-016-582-410 0.64 Cl.CCCCCCOC(=O)CCC(=O)CN
MolPort-046-419-746 0.64 O=C1OC(=O)C23CC12CCC3
MolPort-042-604-257 0.64 Cl.COCCCCOC(=O)C[C@@H](CN)CC(C)C
MolPort-046-687-943 0.64 Cl.CCOC(=O)C1(N)CC11CCCCC1
MolPort-046-677-668 0.64 CC(C)(C)OC(=O)CC1CC(N)C1(C)C
MolPort-042-644-561 0.64 CC(=O)OCC(=O)C1CCC2C3CC[C@H]4CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-806-679 0.64 CC(=O)OCC1C(C)(COC(C)=O)C2CCC1(C)O2
MolPort-035-919-416 0.64 O=C1OC(=O)[C@@H]2CCCCC[C@H]12
MolPort-002-530-098 0.64 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-338-096 0.64 C[C@@]1(O)C[C@]23C[C@@H]1CC[C@H]2[C@]12CCC[C@](C)([C@H]1CC3)C(=O)OC2
MolPort-002-911-085 0.64 CC(=O)OC1CCC2C3CCC4CC(=O)[C@@H](CC4(C)C3CCC12C)OC(C)=O
MolPort-039-052-419 0.64 CC(C)(O)[C@H]1CC[C@](C)(O1)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]21C
MolPort-044-755-251 0.64 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-046-592-144 0.64 CC(=O)OCC1C2C3CC1C(=O)C23
MolPort-046-762-592 0.64 CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-836-439 0.64 BrC12CC3CC(C1)CC(CC(=O)OC1CCOC1)(C3)C2
MolPort-002-733-286 0.64 NC(=O)C1CC(=O)OC11CCCC1
MolPort-006-113-065 0.64 CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
MolPort-003-959-958 0.64 CCCCCCCC(=O)OCCC(C)C
MolPort-003-960-016 0.64 CCCCCCCC(=O)OCCCCCC
MolPort-006-112-127 0.64 CCCCCCCOC(=O)CCCCCC
MolPort-001-792-066 0.64 CCCCC(O)C(=O)OCC
MolPort-044-727-772 0.64 [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([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
MolPort-006-110-656 0.64 CCCCCCCCCCCCCCCC(=O)OCCCC
MolPort-006-110-604 0.64 CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C
MolPort-044-727-771 0.64 CCCCCCCCCCCC[13CH2][13CH2][13CH2][13C](=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
MolPort-044-727-618 0.64 CCCCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCC)CCCCCCCCC(O)=O
MolPort-044-727-616 0.64 CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCC)CCCCCCCCC(O)=O
MolPort-044-727-600 0.64 CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCC)CCCCCCCC(O)=O
MolPort-006-116-294 0.64 CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
MolPort-044-561-664 0.64 CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
MolPort-044-561-661 0.64 CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCCC(O)=O
MolPort-006-125-957 0.64 CCCCCCCCCCCCCC(=O)OCC(CC)CCCC
MolPort-003-939-325 0.64 CCCCCCCCCCCCCCCCCC(=O)OCCCC
MolPort-001-942-579 0.64 O=C1CCCCCCCCC(=O)OCCCCCCO1
MolPort-006-149-179 0.64 CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C
MolPort-006-133-953 0.64 CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC
MolPort-006-132-893 0.64 CCCCCCCC(=O)OCC(CC)CCCC
MolPort-006-131-773 0.64 CCCCCCCCC(=O)OCC(CC)CCCC
MolPort-006-128-681 0.64 CCCCCCCCCOC(=O)CCCCCCCCC
MolPort-044-561-382 0.64 CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(O)=O
MolPort-006-126-898 0.64 CCCCCCCCCCCC(=O)OCCCCCC
MolPort-003-940-317 0.64 CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC
MolPort-006-121-762 0.64 CCCCCCCCCCCCCC(=O)OCCCCCCCC
MolPort-006-125-956 0.64 CCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC
MolPort-006-125-923 0.64 CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC
MolPort-044-561-393 0.64 CCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
MolPort-003-940-444 0.64 CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC
MolPort-003-940-527 0.64 CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC
MolPort-006-123-649 0.64 CCCCCCCCCCCCCCCCCC(=O)OCC(CC)CCCC
MolPort-006-122-841 0.64 CCCCC(CC)COC(=O)CCCCCCCCCCC(=O)OCC(CC)CCCC
MolPort-006-122-569 0.64 CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC
MolPort-006-122-073 0.64 CCCCCCCCCCCCCCCC(=O)OCCCCCCCC
MolPort-006-110-648 0.64 CCCCCCCCCCCCCC(=O)OCCCC
MolPort-044-183-384 0.64 [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([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC(CCCCCCCCC)CCCCCCCC(O)=O
MolPort-046-702-827 0.64 CCCCCCOC(=O)CCCCCCC(=O)OCCCCCC
MolPort-027-836-012 0.64 CC(C)CCCCCCOC(=O)CCCCC(=O)OCCCCCCC(C)C
MolPort-000-772-892 0.64 [I-].C[C@@H]1CCC2C(C[N+](C)(C)C)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CCC12
MolPort-002-511-164 0.64 C[C@H]1CCCCCCCCCCCOC1=O
MolPort-002-132-483 0.64 CCCCCCCCCCOC(=O)CCCCCCCC
MolPort-000-843-752 0.64 CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC
MolPort-002-509-935 0.64 CC1CCCCCCCCCCCCCOC1=O
MolPort-002-508-801 0.64 O=C1CCCCCCCCCCCCCCCCO1
MolPort-002-508-812 0.64 O=C1CCCCCCCCCCCCCCO1
MolPort-000-003-424 0.64 CCCCOC(=O)CCCCCCCCC(=O)OCCCC
MolPort-027-730-559 0.64 CCCCOC(=O)C1CCCC1
MolPort-046-702-826 0.64 CCCCCC(CC)OC(=O)CCCCCC(C)C
MolPort-044-183-405 0.64 CCCCCCCCCCCC[13CH2][13CH2][13CH2][13C](=O)OC(CCCCCCCCC)CCCCCCCC(O)=O
MolPort-044-183-410 0.64 CCCCCCCCCCCCCCCC(=O)O[C@@H](CCCCCCCCC)CCCCCCCC(O)=O
MolPort-008-154-524 0.64 CCCOC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-044-723-603 0.64 CCCCCCCCCCCOC(=O)CCCCCCCCCCC
MolPort-044-183-404 0.64 [2H]C([2H])(CCCCCCCC)C([2H])([2H])CCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(O)=O
MolPort-009-758-314 0.64 [I-].C[C@@H]1CC[C@H]2C(C[N+](C)(C)C)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12
MolPort-019-929-311 0.64 COC(=O)[C@H]1CC[C@H](CN)CC1
MolPort-015-142-666 0.64 COC(=O)C1CCC(CN)CC1
MolPort-001-917-573 0.64 O=C1CCCCCCCCCCCCO1
MolPort-044-183-352 0.64 CCCCCCCCCCCCCCCC(=O)OC(CCCCCCC)CCCCCCCC(O)=O
MolPort-046-588-244 0.64 CCCCCOC(=O)C1CCCC1
MolPort-003-803-152 0.64 CCCCOC(=O)CCCCCCCC(=O)OCCCC
MolPort-003-894-751 0.64 CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
MolPort-003-936-258 0.64 O=C1CCCCCCCCCCCCCCCO1
MolPort-003-925-205 0.64 CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
MolPort-044-183-361 0.64 CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(O)=O
MolPort-044-183-362 0.64 CCCCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O
MolPort-044-183-371 0.64 [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([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
MolPort-003-931-579 0.64 CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
MolPort-011-006-491 0.64 CCCOC(=O)CCC1CCCCC1
MolPort-046-691-424 0.64 [2H]C([2H])(C(=O)OCC(CC)CCCC)C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC(CC)CCCC
MolPort-044-183-359 0.64 CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O
MolPort-044-560-837 0.64 CCC[C@H]1COC(=O)C1
MolPort-003-937-778 0.64 CCCCCCCCCCCC(=O)OCCCC
MolPort-006-396-343 0.64 CCCC1CC(C)OC1=O
MolPort-001-942-580 0.64 O=C1CCCCCCCC(=O)OCCCCCCO1
MolPort-006-115-905 0.64 CCCCC(CC)COC(=O)CCCCC(O)=O
MolPort-003-959-235 0.64 CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
MolPort-003-959-957 0.64 CCCCCCCC(=O)OCCCCC
MolPort-006-114-531 0.64 CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
MolPort-006-114-373 0.64 CCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCC
MolPort-006-114-318 0.64 CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC
MolPort-006-114-191 0.64 CCCCCCCCCC(=O)OCCC(C)C
MolPort-006-113-514 0.64 CCCCCCCCCCOC(=O)CCCCCCCCC
MCULE-3564339989 0.64 C(CCCCCCCCCCCCCCCCCCCCCCC)(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MCULE-3725120888 0.64 C(CCCCCCCC(OCCCCCCCC)=O)(OCCCCCCCC)=O
MCULE-1763743202 0.64 C(=O)(OCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
MCULE-5010287798 0.64 CCCCCCCCCCCCCC(=O)OCC(CCCC)CC
MCULE-2821419023 0.64 CCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O
MCULE-1369951366 0.64 C(CC)(CCCC)COC(=O)CCCCCCCCCCC(=O)OCC(CC)CCCC
MCULE-6922362601 0.64 C1(CCCCCCCCC(OCCCCCCO1)=O)=O
MCULE-9380541113 0.64 C1(CCCCCCCCCCCO1)=O
MCULE-7099724921 0.64 C(CCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCC)=O
MCULE-5253414141 0.64 C(CCCCCCCCCCCCCCC)(OCCCC)=O
MCULE-4411639685 0.64 O=C(CCCCCCC)OCCCCC
MCULE-6381001945 0.64 C(CCCCCCCCCCC)(OCCCCCCCCCCCCCC)=O
MCULE-1915432159 0.64 C(CCCCCCCCCCCCC)(OCCCC)=O
MCULE-5437260800 0.64 O=C(CCCCCCCCC(OCCCCCCCC)=O)OCCCCCCCC
MCULE-3725120076 0.64 C(CCCCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCC)=O
MCULE-3634959067 0.64 C(OCCCC)(C(CCCC)CC)=O
MCULE-8428020310 0.64 O=C(CC1CCC(N)CC1)OC
MCULE-1125010033 0.64 C(OCCCCCCCCCCC)(=O)CCCCCCCCCCC
MCULE-8472052724 0.64 C1(=O)C2C3C4C5C(C(OC(C)=O)C4C4CCC1C43)C1CCCC1C25
MCULE-4748825211 0.64 CCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCCCCCCCCCCCC)=O
MCULE-8889004463 0.64 C1(=O)C(CCC)CC(C)O1
MCULE-9128671729 0.64 CCCCCCCCCCCCCCCC(=O)OCC(CCCC)CC
MCULE-4515016182 0.64 C(=O)(CCCCCCC)OCCCCCCCC
MCULE-4032241301 0.64 C(CCCCC(OCCCCCCC)=O)(OCCCCCCC)=O
MCULE-3944997049 0.64 CCCCCCCCCCCCCCCCCCCCCCOC(CCCCCCCCCCCCCCCCCCCCC)=O
MCULE-8320881747 0.64 C(CCCCCCCC)(OCCCCCCCCCC)=O
MCULE-7810677404 0.64 C1(=O)C(CC(C)C)CC(C)O1
MCULE-4769500186 0.64 C(CCCCCCCC(OCCCC)=O)(OCCCC)=O
MCULE-9221014004 0.64 C(=O)(OCCCCCCCCCC)CCCCCCCCCCCCCCCCC
MCULE-1539012535 0.64 C(CCCCCCCC(=O)OCCCC)C(=O)OCCCC
MCULE-5288085450 0.64 C(CC)(CCCC)COC(=O)CCCCCCCC(=O)OCC(CC)CCCC
MCULE-4312908702 0.64 C1CCCOC(=O)CCCCCCCCCCC1
MCULE-4712121150 0.64 [I-].[C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)C
MCULE-5723562399 0.64 C(CCCCCCCCCCC)(OCCCCCC)=O
MCULE-7099810797 0.64 C(CCCCCCCCCCCCCCCCCCCCCCCCCCC)(=O)OCCCCCCCCCCCCCCCCCCCCCCC
MCULE-1034351657 0.64 O(C(CCCCCCCC)=O)CC(CC)CCCC
MCULE-7802491876 0.64 CCCCCCCCCCCCCCCC(=O)OCCCCCC(C)C
MCULE-4528707998 0.64 [C@@H]1(C(OC)=O)CC[C@@H](CN)CC1
MCULE-4191771315 0.64 O(CCC(C)C)C(=O)CCCCCCCCC
MCULE-4445541874 0.64 CCCCCCCCCCCCCCCCCC(=O)OCC(CCCC)CC
MCULE-2237516421 0.64 C1(CCCCCCCCCCCCCCO1)=O
MCULE-6269466037 0.64 CCCCCCC(=O)OCCCCCCC
MCULE-1658713625 0.64 CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
MCULE-8310329513 0.64 CCCCCCCCC(=O)OCCCCCCCC(C)C
MCULE-4217358413 0.64 C1OC(=O)C[C@H]1CCC
MCULE-3888851261 0.64 C1(CCCCCCCCCCCCCCCCO1)=O
MCULE-2035004839 0.64 CCCOC(C12CC3CC(CC(C3)C1)C2)=O
MCULE-2750319430 0.64 O(C(CCCCC(=O)OCC(CC)CCCC)=O)CC(CC)CCCC
MCULE-4815713221 0.64 C([C@H]1COC(=O)C1)CC
MCULE-4462350535 0.64 C(CCCCCCCCCCC)(OCCCC)=O
MCULE-3338209346 0.64 C(=O)(CCCCCCCCC)OCCCCCCCCCC
MCULE-7240766244 0.64 C1([C@H](CCCCCCCCCCCO1)C)=O
MCULE-8613053282 0.64 CCCCCCCC(=O)OCCC(C)C
MCULE-5739761627 0.64 C(OC)(=O)C1CCC(CC1)CN
MCULE-7477359153 0.64 CCCOC(CCC1CCCCC1)=O
MCULE-8629194941 0.64 C1(C(CCCCCCCCCCCCCO1)C)=O
MCULE-6539746773 0.64 CCCCCCCCCC(OCCCC)=O
MCULE-2599466286 0.64 CCCCOC(C1CCCC1)=O
MCULE-3692667490 0.64 C1(CCCCCCCCCCCCO1)=O
MCULE-4503955337 0.64 C(OCC)(=O)C(O)CCCC
MCULE-5753945477 0.64 C(OC)(CCC1CCC(CC1)N)=O
MCULE-1359737665 0.64 COC(CC1CCC(CN)CC1)=O
MCULE-5663210635 0.64 O(C(CCCCCCCCCCC)=O)CCC(C)C
MCULE-4381136890 0.64 C(OC)(=O)C(C)CC1CCC(CC1)N
MCULE-7084311679 0.64 C(CCCCC(OCCCCCCCC)=O)(OCCCCCCCC)=O
MCULE-4810390593 0.64 CC(C1OCC(C(N)=O)(O)C1)C
MCULE-8661441910 0.64 C1(=O)OC2(CC1C(C(OCCOCCCC)=O)C(C2)C)C
MCULE-1449580376 0.64 C(NN)(=O)C(CCCC)CC(COCCC)O
MCULE-1161471017 0.64 CCC1OCC(C(N)=O)(O)C1
MCULE-9184184375 0.64 CC1OC(=O)C(OC(COC2CCCC2)=O)C1
MCULE-8519774446 0.64 C1(=O)OC2(CC1C(C(=O)OCC1CCCO1)C(C2)C)C
MCULE-4903750183 0.64 C(NN)(=O)C(CCCC)CC(COCC(C)C)O
MCULE-1185460613 0.64 C12C(C(=O)OC)C(C(=O)OC)C3C4C1C1(COC(=O)C)C2C3C41OC(=O)C
MCULE-9158480975 0.64 C12(CC3CCC(C3)C1)OC2C(OC)=O
MCULE-2396209800 0.64 [C@H]1(OC(=O)C)[C@H](OC(C)=O)[C@H](OC(=O)CC)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(C)=O
MCULE-6376743672 0.64 C12(C(OC)=O)CC3(C(CO1)(C)C2(C)CC3)[H]
MCULE-4608137308 0.64 C1(C)(C(OC)=O)OC21CC1CCC(C1)C2
MCULE-8614466529 0.64 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CCC2(C1)[H])C([H])(C(OC)=O)OC(C)=O)=O
MCULE-1579591836 0.64 [C@@H]1(OC(=O)C(C)(C)C)[C@H](OC(C)=O)[C@H](OC(=O)C(C)(C)C)[C@H]([C@H](OC(C)=O)[C@H]1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
MCULE-9170697092 0.64 [C@@H]1(OC(C(C)C)=O)[C@@H](OC(C(C)C)=O)[C@H](OC(C(C)C)=O)[C@@H]([C@H](OC(C(C)C)=O)[C@H]1OC(C(C)C)=O)O
MCULE-2381172179 0.64 Cl.CC(C[C@@H](CC(OCC(C(C)(C)C)=O)=O)CN)C
MCULE-2572507477 0.64 CC(C[C@@H](CC(OCCOC1CCC1)=O)CN)C
MCULE-2387312237 0.64 CC(C1C(OC(COC(C2CCCCC2)=O)=O)CC(C)CC1)C
MCULE-8692865318 0.64 O1C2CC3C4CCC(C4(C)CCC3C3(C)CCC(O)CC132)C(COC(C)=O)=O
MCULE-5246806346 0.64 [C@@H]1(OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]([C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
MCULE-1077466441 0.64 [C@@H]1(OC(C(C)C)=O)[C@H](OC(C(C)C)=O)[C@H](OC(C(C)C)=O)[C@H]([C@H](OC(C(C)C)=O)[C@H]1OC(C(C)C)=O)OC(C(C)C)=O
MCULE-4552360901 0.64 [C@@H]1(OC(CC)=O)[C@H](OC(CC)=O)[C@H](OC(CC)=O)[C@H]([C@H](OC(CC)=O)[C@H]1OC(CC)=O)OC(CC)=O
MCULE-4458951323 0.64 Cl.CC(COCCOC(C[C@H](CC(C)C)CN)=O)C
MCULE-5191146263 0.64 [C@@H]1(OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]([C@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C)O
MCULE-7859434255 0.64 COCCOCCOC(C[C@H](CC(C)C)CN)=O
MCULE-9793113891 0.64 C(C)(=O)OC1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2(C1)[H])C([H])(C(OC)=O)OC(C)=O
MCULE-9324376941 0.64 O=C(N)C1CCC2(OCCO2)CC1
MCULE-7271121031 0.64 C1(C(OCC)=O)C2(O1)CCCCC2
MCULE-2351505114 0.64 [C@]12(C)CC[C@@H]([C@@](C)(COC=O)C1CC[C@@H](C)[C@@]12CC[C@@](COC=O)(CCOC=O)O1)OC=O
MCULE-7833754542 0.64 C12(CCCC(C1)CC(N)=O)OCCO2
MCULE-7042059925 0.64 COC1(C=O)CC(C2CC2)OC1
MCULE-8265287794 0.64 OC(C1OC(C2CC3C(C3)C2)CCC1)=O
MCULE-4744440276 0.64 C1(CCCC1N)C(OCC)=O.Cl
MCULE-5873808269 0.64 C1(C(O)=O)CCCCC1C(OCCO)=O
MCULE-2012500549 0.64 CC1(OC(C(O)=O)CC1)CC1CCCC1
MCULE-3310396809 0.64 C12(CC(C1)C2)CC(N)C(=O)OC(C)(C)C
MCULE-8550578459 0.64 C(=O)(C(N)CC1(C)CCC1)OC(C)(C)C
MCULE-8916324665 0.64 CCOC(C1(C(C)CCCCC1)N)=O
MCULE-4269649003 0.64 O1C2CCCCC2C(C)C1C(O)=O
MCULE-5500763468 0.64 C1C[C@@]2(C)[C@]3([H])CC[C@H]4C(=C)C[C@@]3(C4)[C@@H](O)[C@@H]3OC(=O)[C@@](CO)([C@]23[H])C1
MCULE-3425007123 0.64 CC(OC(C1(CC2(CCC2)C1)N)=O)C
MCULE-6169423843 0.64 Cl.[C@H]1(CCC[C@@H]1N)C(OCC)=O
MCULE-4184540448 0.64 O=C(C(CC1CCC1)N)OCC
MCULE-3476247326 0.64 C12(CC3(C(CO1)(C)C2(C)CC3)[H])CC(OC)=O
MCULE-1146033279 0.64 CCOC(C(C1CCCCCC1)N)=O
MCULE-7091907801 0.64 C1(C)(CCC(=O)O1)CC(OC)=O
MCULE-4654939022 0.64 Cl.[C@H]1(C(=O)OCC)CCC[C@H]1N
MCULE-1901705202 0.64 C(CCC(=O)OC1CCC2(C)C3CC(O)C4(C)C(CCC4C3C(CC2(C1)[H])=O)C(OC)=O)(O)=O
MCULE-4289048458 0.64 COC1C(OC(C2CCC2)=O)CCCC1
MCULE-9744647575 0.64 NC1(C2C(O)COC2)C2CC(CC2)C1
MCULE-1597353090 0.64 [H]C12CCCCC1(C)C1CCC3(C)C(O)(CCC3C1CC2)C(COC(C)=O)([H])OC(C)=O
MCULE-3015928147 0.64 NC1CC(COC2COCC2)CCC1
MCULE-5296746074 0.64 C1C[C@]2(O)CCO[C@]2([H])CC1=O
MCULE-7625297215 0.64 C1C[C@]2(C)[C@@H]([C@@H](OCCC(OCC)=O)C)CC[C@@]2([H])C(=O)C1
MCULE-3093970213 0.64 C1(=O)OC2C(CCCC2)C1C(C)=O
MCULE-7569216591 0.64 C12CCC3(C)C(CCC3C1CC([C@@]1(O)CC(CCC21C)OC(=O)C)OC(=O)C)C(C)CCCC(C)C
MCULE-4124785373 0.64 OC([C@H]1[C@@H]2[C@@H](CCC2)CO1)=O
MCULE-9730052808 0.64 CCCCCC(O)CC(=O)OC(CC(=O)O)CCCCC
MCULE-3489700748 0.64 CC(CC(OC1C2(CCC2)C2C1CCO2)=O)(C)C
MCULE-9852698344 0.64 CCOC(C1(CC2(CCC2)C1)CN)=O
MCULE-1727343030 0.64 Cl.[C@H]1(C(=O)OCC)CCC[C@H]1N
MCULE-3689695678 0.64 [C@H]1(C[C@H](O)CCCCCCCCCCC)[C@H](CCCCCCCC)C(=O)O1
MCULE-3730627007 0.64 [C@@]12(C)[C@]([H])([C@@]3([H])[C@]([H])(C[C@@H]1OC(=O)CCC(=O)O)[C@@]1(C)CC[C@@H](OC(CCC(=O)O)=O)C[C@@]1([H])C[C@H]3OC(=O)CCC(=O)O)CC[C@]2([H])[C@H](C)CCC(=O)OC
MCULE-6072658286 0.64 C12C(OC(=O)C1CC1C(OC(=O)C1C2)=O)=O
MCULE-3916571670 0.64 [C@@]12(C)[C@]([H])([C@@]3([H])[C@@]([H])([C@@]4(C)CC[C@@H](OC(=O)CCC(=O)O)C[C@@]4([H])C[C@H]3O)C[C@@H]1O)CC[C@]2([H])[C@H](C)CCC(=O)OC
MCULE-9609478604 0.64 CCOC(C1(CC2(CCC2)C1)N)=O
MCULE-4065783351 0.64 [H]C12CCCCC1(C)C1CCC3(C)C(C(CC3C1CC2)OC(COC(C)=O)=O)=O
MCULE-9590247294 0.64 C12(CC#N)CCC(OC1=O)(C)C2(C)C
MCULE-4705767397 0.64 C1(CC(OC21CCCCC2)=O)C(O)=O
MCULE-1583866100 0.64 CC1(C2C(CCCO2)C1OC(COC1CCCC1)=O)C
MCULE-9703810188 0.64 C(C)(=O)OC1CCC2(C)C(O)(C1)CC(C1C3CCC(C(C)CCC(C)C(C)C)C3(C)CC3C21O3)=O
MCULE-5229443843 0.64 CC1OCC2(OC(=O)CC2)CC1
MCULE-8968794764 0.64 C1(=O)OC(CO)C(C(O)C1O)O
MCULE-9848815635 0.64 O1C(=O)CC(C#N)C21CCCCC2
MCULE-4797014758 0.64 Cl.NCC1C2(CCC2)CC(=O)O1
MCULE-5151845779 0.64 C1(CC(OC21CCCC2)=O)C(O)=O
MCULE-3860715488 0.64 C1(=O)OC(CC1C1CCCO1)=O
MCULE-7808208850 0.64 C12(CC3CCC(C3)C1)OC2C(OCC)=O
MCULE-7381430268 0.64 O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MCULE-9821020615 0.64 C1(=O)O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O
MCULE-6353174888 0.64 OC(C1OC2(CC3CC(CC3)C2)CC1)=O
MCULE-3613041486 0.64 CC(C1OCC(C(C(O)=O)(C)C)(O)C1)C
MCULE-8697746882 0.64 Cl.COCCCCOC(C[C@H](CC(C)C)CN)=O
MCULE-7467810887 0.64 CC(C[C@@H](CC(OCC1CCOCC1)=O)CN)C
MCULE-5296650836 0.64 Cl.CCCCCCOC(CCC(CN)=O)=O
MCULE-8345460392 0.64 OC(C1(OCCC1)CC1CC2C(C2)C1)=O
MCULE-7799687476 0.64 CCC(C1(C(C)C(C)OC1)O)C(O)=O
MCULE-4246249002 0.64 CCOC1CC(COC(C[C@H](CC(C)C)CN)=O)C1
MCULE-2284911697 0.64 C(OCC)([C@]1(C[C@](N)([C@@](CC1)(O)[H])[H])[H])=O
MCULE-4586569279 0.64 C(OCC)([C@@]1(C[C@@](N)([C@@](CC1)(O)[H])[H])[H])=O
MCULE-6546614657 0.64 CC(C[C@@H](CC(OCC1CC(C)OCC1)=O)CN)C
MCULE-9247851412 0.64 CC(C[C@@H](CC(OC[C@@H]1C[C@H](O)C1)=O)CN)C
MCULE-3516873778 0.64 CCC1OCC(C(C(O)=O)C)(O)C1
MCULE-9658093169 0.64 C12(CC3C4C5C6C(C41)(C(OC)=O)C3(C(OC)=O)C5C1(CCC(=O)O1)C6)OC(=O)CC2
MCULE-3051643530 0.64 CC(C(C1(C(C)C(C)OC1)O)C(O)=O)C
MCULE-3192845978 0.64 CCC1OCC(C(C(O)=O)(C)C)(O)C1
MCULE-1776498852 0.64 CCC1OCC(CC(O)=O)(O)C1
MCULE-5911233463 0.64 CC(C1OCC(C(C(O)=O)C)(O)C1)C
MCULE-3744763539 0.64 CC1(C(O)=O)OC(C2CC3C(C3)C2)CC1
MCULE-6201597999 0.64 CCOC(C1(C2(CCCCC2)C1)N)=O.Cl
MCULE-2003586639 0.64 OC(C1OC(C2CC3C(C3)C2)CC1)=O
MCULE-1245334026 0.64 C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@@]3([C@@]([H])([C@@]4(CCC(=O)O4)C)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C)[H]
MCULE-1391824229 0.64 CCOC([C@@H]1C[C@@H](N)[C@H](O)CC1)=O
MCULE-4400180581 0.64 COC(C(C1(C(C)C(C)OC1)O)C)=O
MCULE-5826363625 0.64 [C@H]1(C(OCC)=O)CC[C@@H](O)[C@H](N)C1
MCULE-6796725473 0.64 [C@@H]1(C(OCC)=O)CC[C@H](O)[C@@H](N)C1
MCULE-3088368043 0.64 O=C(OC1CCC(OC(CC2OCCC2)=O)CC1)CC1OCCC1
MCULE-1371380529 0.64 CC(C1OCC(CC(O)=O)(O)C1)C
MCULE-5297480989 0.64 C12(C(O)=O)CC3C(CO1)(C)C2(C)CC3
MCULE-6759772856 0.64 N[C@H]1[C@@H](C(C2CCOCC2)=O)CCC1
MCULE-9434403161 0.64 CC1(OC(=O)CC1)CC1COCC1
MCULE-2119857283 0.64 O=C1OC(=O)C2(CCC3(CC3)CC2)C1
MCULE-2254345960 0.64 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O)[C@]1([H])CC[C@]2([H])CC(COC(C)=O)=O)[H]
MCULE-4158969409 0.64 NCCCC(OCCCCCCCCCCCC)=O
MCULE-8899167484 0.64 C(C)(=O)OC1C(CC2(C)C3CCC4(C)CCCC4C3CCC2(C1(C)C)[H])=O
MCULE-5955237292 0.64 C1CCC2([H])C(=O)OC(=O)C2([H])CC1
MCULE-2678323934 0.64 [H]C12CCCCC1(C)C1CC(C3(C)C(CCC3C1CC2=O)C(OC)=O)OC(C)=O
MCULE-5553943654 0.64 C(C)(=O)OC1C(CC2(C)C3CCC4(C)CCCC4C3CCC2(C1)[H])=O
MCULE-6417988548 0.64 CC1OCC(CCC(O)=O)(O)C1
MCULE-5067887223 0.64 C(C)(=O)OC1CC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2(CC1=O)[H]
MCULE-7368454748 0.64 C(C)(=O)OC1CC2(C)C(CCC2C2CC(C3(O)CCCCC3(C)C21)=O)OC(C)=O
MCULE-7461356222 0.64 C12CCC3(C)C(CCC3C1CCC1CC([C@H](OC(=O)C)CC21C)=O)OC(=O)C
MCULE-2068641568 0.64 O=C1CCC2(C)C3C(CC4(C)C(CCC4C3CC(C2(C1)[H])OC(C)=O)C(C)=O)OC(C)=O
MCULE-1394375929 0.64 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(CCC4C3CCC2C1)C(OC)=O)OC(C)=O
MCULE-8845508204 0.64 O=C1OC(=O)C2(C3(CCCC3)CC2)C1
MCULE-3612590210 0.64 C1(CCCCC1)(OC1CCCCC1)C(O)=O
MCULE-6062443189 0.64 C(C)(=O)OC1C(C(C)(C)C2(CCC3(C)C4(C)CCC5(C)CCC(C(C)C)C5(C4(CCC3C2(C)C1)[H])[H])[H])=O
MCULE-6767694299 0.64 [H]C12CCCCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1C(C2OC(C)=O)=O
MCULE-7285769947 0.64 C[C@]12[C@H]3CC[C@]45C[C@](O)(C)[C@H](CC[C@@H]4[C@]3(COC1=O)CCC2)C5
MCULE-1646467894 0.64 [H]C12CCCCC1(C)C1CCC3(C)C(CCC3C1CC2)C(COC(C)=O)=O
MCULE-5528056272 0.64 C1(C)(COC(C)=O)C2CCC(O2)(C)C1COC(C)=O
MCULE-1260653783 0.64 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3CCC2(C1)[H])C(COC(C)=O)=O
MCULE-8011521983 0.64 C(C)(=O)OC1C(CC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2(C1)[H])=O
MCULE-3295424536 0.64 C(C)(=O)OC1CC2(C)C3CCC4(C)CCCC4C3CCC2(CC1=O)[H]
MCULE-7587291018 0.64 C(C)(=O)OC1C(C)(C)C2(CCC3(C)C4(C)CCC5(C)CCC(C(C)C)C5(C4(CCC3C2(C)CC1=O)[H])[H])[H]
MCULE-7358342386 0.64 NC1C(CC(C2CCOCC2)=O)CCC1
MCULE-1375131946 0.64 N[C@H]1[C@H](CC(C2CCOCC2)=O)CCC1
MCULE-7370983669 0.64 BrC12CC3CC(CC(C3)(CC(OC3COCC3)=O)C1)C2
MCULE-4173827580 0.64 C1(CC(OC21CCCC2)=O)C(N)=O
MCULE-6987366501 0.64 C(OCCCCCCCCC)(=O)CCCCCCCCC
MCULE-1523962840 0.64 CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC
MCULE-7557196830 0.64 C(O)(=O)CCCCC(OCC(CC)CCCC)=O
MCULE-3774940159 0.64 CCCCCOC(C1CCCC1)=O
MCULE-3644991073 0.64 C(C(CCCC)CC)(=O)OCCCCC
MCULE-2171993588 0.64 O=C(OC)[C@@H]1CC[C@H](CN)CC1
MCULE-7351726936 0.64 CCCCCC(CC)OC(CCCCCC(C)C)=O
MCULE-3709996250 0.64 CCCCCCCC(=O)OCC(CCCC)CC
MCULE-5345549530 0.64 CCCCCCCCCCCCCCCCCC(=O)OCCCC
MCULE-1334027164 0.64 C1(CCCCCCCC(OCCCCCCO1)=O)=O
MCULE-9352428885 0.64 C(OCCCCCCCCCCCCCCCCCC)(=O)CCCCCCCCCCCCC
MCULE-2229580115 0.64 C(CCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCCCCCCCC)=O
MCULE-5646678690 0.64 C1CCCCOC(=O)CCCCC1
MCULE-9709477902 0.64 C(CCCCCCCCC)CCCCCC(OCCCCCCCCCCCCCCCCCCCCC)=O
MCULE-2049616097 0.64 C(CCCCCCCCCCC)CCCCCC(OCCCCCCCCCCCCCCCCCCCCC)=O
MCULE-4177272069 0.64 C(CCCCCCCCCCCC)CCCCCC(OCCCCCCCCCCCCCCCCCCC)=O
MCULE-1024781433 0.64 C(CCCCCCCCCCCCCCCCCCCCC)(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
MolPort-001-954-750 0.64 CCCCC(CC(O)COCCC)C(=O)NN
MolPort-044-722-551 0.64 CC1CC2(C)CC(C1C(=O)OCC1CCCO1)C(=O)O2
MolPort-002-130-594 0.64 CCCCOCCOC(=O)C1C2CC(C)(CC1C)OC2=O
MolPort-044-615-275 0.64 OC(=O)C12OC3C4COCC3C1C24
MolPort-044-755-258 0.64 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]3C[C@H]3O[C@@]23C1
MolPort-027-695-471 0.64 CC1CC(OC(=O)COC2CCCC2)C(=O)O1
MolPort-001-954-749 0.64 CCCCC(CC(O)COCC(C)C)C(=O)NN
MolPort-044-755-242 0.64 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]3C[C@@H]3O[C@]23C1
MolPort-003-812-908 0.64 CC(C)C(=O)O[C@H]1[C@@H](O)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C
MolPort-046-597-676 0.64 C[C@@H]1CCC2[C@](C)(COC=O)[C@H](CC[C@]2(C)[C@@]11CCC(CCOC=O)(COC=O)O1)OC=O
MolPort-046-649-814 0.64 CCOC1(CCCC1)C(N)C(=O)OC
MolPort-001-781-762 0.64 CCOC(=O)C1OC11CCCCC1
MolPort-035-395-786 0.64 [NaH].OC[C@H](O)[C@H]1OC(=O)C(O)C1O
MolPort-000-706-245 0.64 [I-].C[N+](C)(C)CCCCOC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-005-899-273 0.64 CC(C)C1CCC(C)CC1OC(=O)COC(=O)C1CCCCC1
MolPort-042-606-036 0.64 Cl.CC(C)COCCOC(=O)C[C@@H](CN)CC(C)C
MolPort-002-528-494 0.64 C[C@@H]1CCC2[C@](C)(COC=O)[C@H](CC[C@]2(C)[C@@]11CC[C@](CCOC=O)(COC=O)O1)OC=O
MolPort-042-604-195 0.64 Cl.CC(C)C[C@H](CN)CC(=O)OCC(=O)C(C)(C)C
MolPort-002-800-216 0.64 CC(C)(C)C(=O)O[C@H]1[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C
MolPort-046-551-876 0.64 NC(=O)CC1CCCC2(C1)OCCO2
MolPort-002-800-215 0.64 CC(C)C(=O)O[C@H]1[C@H](OC(=O)C(C)C)[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@@H]1OC(=O)C(C)C
MolPort-002-800-214 0.64 CCC(=O)O[C@H]1[C@H](OC(=O)CC)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H](OC(=O)CC)[C@@H]1OC(=O)CC
MolPort-002-800-213 0.64 CC(=O)O[C@H]1[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(C)=O)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C
MolPort-002-800-212 0.64 CC(C)(C)C(=O)O[C@H]1[C@@H](O)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C
MolPort-027-919-271 0.64 CC(C)(C)CC(=O)OC1C2CCOC2C11CCC1
MolPort-008-427-164 0.64 O=C1OC(=O)C2CC3C(CC12)C(=O)OC3=O
MolPort-046-662-218 0.64 CC(C)(C)OC(=O)[C@@H]1CCCCC[C@@H]1N
MolPort-027-949-231 0.64 Cl.CCOC(=O)[C@@H]1CCC[C@H]1N
MolPort-046-668-434 0.64 CC(C)(C)OC(=O)CC(N)C1CCCCCC1
MolPort-044-432-424 0.64 OC(=O)[C@@H]1OC[C@@H]2CCC[C@H]12
MolPort-005-932-801 0.64 CCCCCCCCCCC[C@H](O)C[C@@H]1OC(=O)[C@H]1CCCCCC
MolPort-044-622-754 0.64 Cl.CCOC(=O)C(N)CCCC(C)C
MolPort-027-457-843 0.64 CCOC(=O)CC(N)C1CCCCCC1
MolPort-000-780-496 0.64 CC1(C)CCC23CC[C@]4(C)C(CCC5[C@@]6(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C6CC[C@@]45C)C2C1OC3=O
MolPort-004-771-491 0.64 CC(=O)C1(O)CCOC1=O
MolPort-028-454-104 0.64 COC1CCCCC1OC(=O)C1CCC1
MolPort-046-667-497 0.64 CCOC(=O)[C@@H]1CCCCC[C@@H]1N
MolPort-046-667-035 0.64 CCOC(=O)[C@@H](N)CC1CCCCCC1
MolPort-046-666-277 0.64 CCC1CCCC(N)(CC1)C(=O)OC(C)(C)C
MolPort-044-625-680 0.64 Cl.CCOC(=O)C1(CN)CCCC1
MolPort-044-637-556 0.64 CCCCCC(O)CC(=O)OC(CCCCC)CC(O)=O
MolPort-046-662-303 0.64 CC(C)(C)OC(=O)[C@@H](N)CC1CCCCCC1
MolPort-042-620-358 0.64 Cl.CCOC(=O)C1CCCC1N
MolPort-009-767-818 0.64 Cl.CCOC(=O)[C@@H]1CCC[C@@H]1N
MolPort-019-904-599 0.64 CCOC(=O)C(N)CC1CCC1
MolPort-002-911-116 0.64 CC(C)CCCC(C)C1CCC2C3CC(OC(C)=O)[C@@]4(O)CC(CCC4(C)C3CCC12C)OC(C)=O
MolPort-014-449-447 0.64 CC(C)(C)OC(=O)C1(N)CCCCCC1
MolPort-046-699-014 0.64 OC(=O)C1C[C@@H]2CCCC[C@H]2O1
MolPort-003-707-395 0.64 CCCCCCCCCCCCOC(=O)C(N)CC(C)C
MolPort-003-719-493 0.64 CCCCCCCCOC(=O)C(N)CC(C)C
MolPort-038-386-039 0.64 C[C@@]12CCC[C@]3(CO)[C@H]1[C@@H](OC3=O)[C@H](O)[C@@]13C[C@@H](CC[C@@H]21)C(=C)C3
MolPort-046-158-369 0.64 COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)CCC(O)=O
MolPort-035-789-521 0.64 Cl.CCOC(=O)[C@H]1CCC[C@H]1N
MolPort-035-706-091 0.64 O[C@@]12CCO[C@@H]1CC(=O)CC2
MolPort-046-676-578 0.63 CC(C)(C)OC(=O)C1(N)CCC2(CC1)OCCO2
MolPort-028-750-290 0.63 O=C1OC2CCC1CC2
MolPort-035-837-386 0.63 O=C(OC1CCCC1)C1CCC(CC1)N1C=CC=C1
MolPort-002-522-764 0.63 CC1(C)C(C(=O)O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC[C@@H]3C5C6OC[C@@]5(CCC6(C)C)CC[C@@]43C)C2(C)C)C1(C)C
MolPort-001-786-407 0.63 CCCCCCCCCCCCC1CC(=O)OC1=O
MolPort-023-333-887 0.63 CCOC(=O)CC1(O)CCC(=O)CC1
MolPort-028-747-781 0.63 CCCCC1CC(=O)OC1=O
MolPort-005-909-559 0.63 O=C1CCC2CCCC[C@@H]2O1
MolPort-003-960-172 0.63 O=C1CCC2CCCCC2O1
MolPort-002-215-463 0.63 CCCCOC(=O)CCC1CCCC1=O
MolPort-002-130-503 0.63 CCCCCCCCCCCCCCC1CC(=O)OC1=O
MolPort-003-910-342 0.63 CCCCCCCCCCCCCCCCCCC1CC(=O)OC1=O
MolPort-046-646-852 0.63 COC(=O)[C@]12O[C@H]1[C@H]1CCCC[C@@H]21
MolPort-002-515-766 0.63 CC(=O)O[C@@H]1C[C@@]2(C)C(CCC2C(C)=O)C2CCC3CC4(CC(=O)[C@]3(C)C12)OCCO4
MolPort-000-831-435 0.63 CC(=O)O[C@@H]1CC2(C)C(CCC2C(C)=O)C2CCC3CC4(CC(=O)C3(C)C12)OCCO4
MolPort-023-221-530 0.63 CCOC(=O)CC(O)(C(CC)C(=O)OC(C)=O)C(=O)OCC
MolPort-035-836-918 0.63 CC1(C)COC(=O)[C@@H]1OC(=O)CC12CC3CC(CC(Br)(C3)C1)C2
MolPort-003-800-453 0.63 COC(=O)C1OC11CCCCC1
MolPort-042-604-263 0.63 Cl.CC(C)C[C@H](CN)CC(=O)OC[C@@H]1C[C@H](O)C1
MolPort-019-918-508 0.63 CC(C)(C)OC(=O)C1(N)CCC(N)CC1
MolPort-035-942-903 0.63 Cl.CCOC(=O)[C@H]1CC[C@@H](O)[C@H](N)C1
MolPort-000-860-909 0.63 OC(=O)C1C2CC3OC(=O)C1C3C2
MolPort-042-604-243 0.63 Cl.CC(C)C[C@H](CN)CC(=O)OCC1CCOC(C)C1
MolPort-035-942-904 0.63 Cl.CCOC(=O)[C@@H]1CC[C@H](O)[C@@H](N)C1
MolPort-002-516-100 0.63 [Na+].C[C@]12CO[C@]3(CC1CCC23C)C([O-])=O
MolPort-042-604-254 0.63 Cl.CCOC1CC(COC(=O)C[C@@H](CN)CC(C)C)C1
MolPort-002-509-257 0.63 CC1(C)C(CC(N)=O)C1CC1(C)OCCO1
MolPort-035-942-905 0.63 Cl.CCOC(=O)[C@@H]1CC[C@@H](O)[C@@H](N)C1
MolPort-035-706-362 0.63 COC(=O)CC[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC[C@@H]1[C@H](CC[C@@]21C)[C@]1(C)CC[C@H](O1)C(C)(C)O)C(C)=C
MolPort-042-606-018 0.63 Cl.CC(C)C[C@H](CN)CC(=O)OCC1CCOCC1
MolPort-000-721-666 0.63 [O-]C(=O)C([O-])=O.CCCCOCC(O)CC(CCC(=O)N[NH3+])C(=O)N[NH3+]
MolPort-042-675-451 0.63 CC(C)C1CCC2(O)COC(=O)C2C1C(O)C(=C)C(O)=O
MolPort-002-799-418 0.63 OC(=O)C1C2CCC3(COC(=O)CC13)O2
MolPort-002-088-656 0.63 CN(C)C(=O)C1CCC2(C)C(=O)OCC12C
MolPort-009-765-784 0.63 OC(=O)C(O)=O.CCCCOCC(O)CC(CCC(=O)NN)C(=O)NN
MolPort-035-945-945 0.63 CC(C)(C)NC(=O)C1C2CC3C(OC(=O)C13)C2O
MCULE-6311835886 0.63 Cl.[C@@H]1(C(=O)OC)CC[C@@H](CN)CC1
MCULE-8174650004 0.63 C1(CCCCCCCCCOCCCCCO1)=O
MCULE-1571157426 0.63 Cl.O=C(OC)C1CCC(CN)CC1
MCULE-8146392395 0.63 C(=O)(CCCCCCC)OC(=O)CCCCCCC
MCULE-5670309153 0.63 [H]C12CCCCC1(C)C1CCC3(C)C(C(CC3C1CC2)OC(C)=O)C(O)(C)[H]
MCULE-9155748845 0.63 COC(C1C2(CCC(N)CC2)C1)=O
MCULE-9461310037 0.63 CCC1C(OC(C2C(C)C2)=O)CCCC1
MCULE-2321045871 0.63 C1(CCCCCCCCC(=O)OCCCCCO1)=O
MCULE-7481067072 0.63 COCCOCCOC(C[C@H](CC(C)C)CN)=O.Cl
MCULE-7095367756 0.63 CCOC(C1(COC(C)CC1)O)=O
MCULE-8514404301 0.63 CC1OCC2(OC(C(O)=O)CCC2)C1
MCULE-6841658275 0.63 C12(CCC31CCCC3)OC2C(OCC)=O
MCULE-4693672414 0.63 CC1C(C)C2(OC(C(O)=O)CCC2)CO1
MCULE-1253470700 0.63 CCC1C2(OC(C(O)=O)CCC2)COC1
MCULE-3273524867 0.63 CC(C[C@@H](CC(OCCOC1CCC1)=O)CN)C.Cl
MCULE-7426183989 0.63 C(OCC)(=O)C(N)CCC(O)C(OCC)=O
MCULE-9618935044 0.63 CCC1OCC2(OC(C(O)=O)CCC2)C1
MCULE-1673723217 0.63 CC1C2(OC(C(O)=O)CCC2)COC1
MCULE-2330318655 0.63 CC(C(OC1C(=O)CCCC1)=O)OCC1OCCCC1
MCULE-6956359603 0.63 C12(CCCC3CC13)OC2(CC)C(OC)=O
MCULE-3363693302 0.63 NC(C(C1OCCCC1)O)=O
MCULE-1726367456 0.63 CCCCCCCCCCC1C(=O)OC(C(=O)O)C1(O)C(=O)O
MCULE-6144448636 0.63 O=C(C1CCC(N2C=CC=C2)CC1)OC1CCCC1
MCULE-9125070393 0.63 O=C1CC(CCCCCCCCCCCCCCCCCC)C(=O)O1
MCULE-2339997633 0.63 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C3C(CC2(C1)[H])=O)=O
MCULE-7868662242 0.63 C([O-])(CCC1(C)C2CCC3(C)C(CCC3C2CCC1=O)C(C)([H])OC(C)=O)=O
MCULE-8456467358 0.63 O=C1CCC2(C)C3CC(C4(C)C(C(C)C(OC)=O)CCC4C3CCC2(C1)[H])OC(C)=O
MCULE-6592052926 0.63 C12C3C4C5C6C7C8OC(=O)C6(C)C4C1CCC2OC(=O)C3(C)C5C7CC8
MCULE-7778318149 0.63 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)CCC(OC)=O)CCC4C3C(CC2(C1)[H])=O)=O
MCULE-3768601063 0.63 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)C(OC)=O)CCC4C3CCC2C1)OC(C)=O
MCULE-5429743606 0.63 C1(C)(C)C(C1(C)C)C(=O)O[C@H]1CC[C@]2(C(CC[C@]3(C)C2CC[C@]2([C@@]3(C)CC[C@]34CCC(C)(C)C(OC3)C24)[H])C1(C)C)C
MCULE-2727846502 0.63 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(C(C)C(OC)=O)CCC4C3CCC2C1)=O
MCULE-8264574980 0.63 C12CCCCC1CCC(=O)O2
MCULE-6145842667 0.63 O1C(=O)CC(CCCCCCCCCCCCCC)C1=O
MCULE-8172678394 0.63 C1(CCCC)C(=O)OC(=O)C1
MCULE-4670982020 0.63 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CCC4C3CCC2(C1)[H])C(OC)=O)=O
MCULE-3187174795 0.63 O=C1CC(CCCCCCCCCCCCCCCC)C(=O)O1
MCULE-3897770321 0.63 C1(OC(=O)CC1(CCC)CCC)=O
MCULE-5859342402 0.63 O=C1CC(CCCCCCCCCCCC)C(=O)O1
MCULE-1739807011 0.63 O=C1C2(C)C(CCC2C(C)CCC(OC)=O)C2C(CC3CC(O)CCC3(C)C2C1)OC(C)=O
MCULE-7557171760 0.63 C1(CC(C)C)(CC(C)C)CC(OC1=O)=O
MCULE-1573471999 0.63 C12(C)C(C(C)CCC(OC)=O)CCC1C1C(C3(C)CCC(CC3(CC1OC(C)=O)[H])OC(C)=O)CC2=O
MCULE-5720306745 0.63 C12C(=O)OC3CCC4C3C1C1C3C2C2CCC5OC(=O)C(C41)C3C25
MCULE-9753851955 0.63 C1(CCCC1CCC(OCCCC)=O)=O
MCULE-5315842157 0.63 C(C)(=O)OC1CC(C2(C)C3(O)CCC4(C)C(CCC4C3CCC2(C1)[H])OC(C)=O)OC(C)=O
MCULE-7356012838 0.63 CCOC(CC1(CCC(=O)CC1)O)=O
MCULE-7913212244 0.63 CCOC(C(C1OCCCC1)N)=O
MCULE-7325688185 0.63 C(OC(C)=O)(=O)C(CC)C(CC(OCC)=O)(C(OCC)=O)O
MCULE-7016137797 0.63 C12(C)C(C(C)=O)CCC1C1C([C@H](OC(C)=O)C2)C2(C)C(CC1)CC1(CC2=O)OCCO1
MCULE-6053447025 0.63 [H]Cl.[C@@H]1(C(OCC)=O)CC[C@H](O)[C@@H](N)C1
MCULE-6443132267 0.63 C1(C)(C)C(C1CC1(C)OCCO1)CC(N)=O
MCULE-7009686667 0.63 C1(=O)OC2C3CC(C2)C(C(O)=O)C13
MCULE-1448673572 0.63 C1C2(C(=O)CC(=O)O2)CCC1
MCULE-7955879456 0.63 [Na+].C12C3(C)COC(C(=O)[O-])(C1)C3(C)CC2
MCULE-6686136282 0.63 Cl.CC(C[C@@H](CC(OCC1CCOCC1)=O)CN)C
MCULE-8617725762 0.63 C1(C(OC)=O)CCC(C)(C(C)(C)O)OC1(C)C
MCULE-4121363969 0.63 C1(CC1)C1CC(CO1)(O)CC(O)=O
MCULE-5921894631 0.63 CC(C1C2OC(CC2)C1)C(C(O)=O)N
MCULE-6810490323 0.63 C1C2(C(=O)CC(=O)O2)CC(C)CC1
MCULE-2862384405 0.63 C(=O)(OC(C)(C)C)C1(N)CCC(CC1)N
MCULE-5244415904 0.63 CC(C1(CC(C2CC2)OC1)O)(C(O)=O)C
MCULE-2140468891 0.63 C1(C(OC)=O)CCC(C)(C(CC)(CC)O)OC1(C)C
MCULE-8149249655 0.63 COC(C1C(C(C)(C)C)OCC1O)=O
MCULE-9919664746 0.63 O1C(C(O)=O)C(C)(C)CC(C)(C)C1=O
MCULE-4757768221 0.63 C(C(=O)OC)C[C@]1(C)[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@@H](C(O)(C)C)O4)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C
MCULE-6605255919 0.63 C1(C(OC)=O)C2(O1)CCCCC2
MCULE-4221434758 0.63 C123CCCC1C1C45C(=O)OC67CCCC6C6C(C1C2C46C(=O)O3)C57
MCULE-2188081244 0.63 COC(C1C(C(C)C)(C)OCC1O)=O
MCULE-2166750047 0.63 COC(C1C(C(C)C)OCC1O)=O
MCULE-6805147331 0.63 [K+].C12C3(C)COC(C(=O)[O-])(C1)C3(C)CC2
MCULE-6431224988 0.63 CC(C[C@@H](CC(OC[C@@H]1C[C@H](O)C1)=O)CN)C.Cl
MCULE-2203154225 0.63 Cl.CCOC1CC(COC(C[C@H](CC(C)C)CN)=O)C1
MCULE-4843576272 0.63 CCOC(C1(C(C)C(C)OC1)O)=O
MCULE-7496097851 0.63 Cl.C(OCC)([C@@]1(C[C@@](N)([C@@](CC1)(O)[H])[H])[H])=O
MCULE-8237915784 0.63 C(OCC)([C@]1(C[C@](N)([C@@](CC1)(O)[H])[H])[H])=O.Cl
MCULE-3487436475 0.63 C12(C)C(=O)CCC(C(=O)O1)C2(C)C
MCULE-9747135647 0.63 Cl.CCOC([C@@H]1C[C@@H](N)[C@H](O)CC1)=O
MCULE-3921881597 0.63 CC(C[C@@H](CC(OCC1CC(C)OCC1)=O)CN)C.Cl
MCULE-5985334332 0.63 CC(C1(CC(C2CC2)OC1)O)C(O)=O
MCULE-7637918130 0.63 CCC1(C(C(OC)=O)C(O)CO1)C
MCULE-7964569559 0.63 CCCC1C(C(O)=O)(O)COC1
MCULE-5630148711 0.63 CCC1C(C(OC)=O)C(O)CO1
MCULE-6583224039 0.63 [H]Cl.[C@H]1(C(OCC)=O)CC[C@@H](O)[C@H](N)C1
MCULE-8950902117 0.63 C12(C)COC(=O)C1(C)CCC2C(=O)N(C)C
MCULE-1674715929 0.63 C1(C(O)=O)C2CCC3(O2)COC(=O)CC13
MCULE-9683002750 0.63 C(=O)([O-])C(=O)[O-].C(=O)(N[NH3+])C(CCC(=O)N[NH3+])CC(COCCCC)O
MCULE-8652625798 0.63 [C@@]12(C)COC(=O)[C@@]1(C)CC[C@H]2C(=O)N(C)C
MCULE-5323981543 0.63 C1C2(O)COC(=O)C2C(C(O)C(=C)C(=O)O)C(C(C)C)C1
MCULE-9046754800 0.63 C1(=O)OC2C3CC(C2O)C(C(=O)NC(C)(C)C)C13
MCULE-7985944984 0.63 C1(C(OCCCC)=O)CCCCC1C(OCCCC)=O
MCULE-9666841321 0.63 [H]C12CCCCC1(C)C1CCC3(C)C(C(CC3C1CC2)OC(C)=O)=O
MCULE-4719468946 0.63 C1(CN)(CC1)C1(O)COC(CC)C1
MCULE-7827879923 0.63 C1(O)(C(CC)CN)COC(C)C1C
MCULE-4210952477 0.63 C1(O)(COC(C)C1C)C1(CN)CC1
MCULE-9676595193 0.63 C(=O)(OC(C)(C)C)C1(CCCC1)N
MCULE-4618230445 0.63 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2(C1)[H])C(OC)=O
MCULE-7073735465 0.63 C1(CN)(CC1)C1(COCC1CC)O
MCULE-8381497098 0.63 COCCOC(CC1CCCCC1)=O
MCULE-1302235961 0.63 C1(C(OCCCCCCC(C)C)=O)CCCCC1C(OCCCCCCC(C)C)=O
MCULE-3643293918 0.63 O=C1CCC2(C)C3CC(C4(C)CCC(C4C3CC(C2(C1)[H])OC(C)=O)OC(C)=O)OC(C)=O
MCULE-7200820765 0.63 CC(C1OCC(C(CN)(C)C)(O)C1)C
MCULE-8945183615 0.63 C1(O)(C(C)CN)COC(CC)C1
MCULE-6341422778 0.63 C1(O)(CCN)COC(CC)C1
MCULE-5384666548 0.63 O=C(C12CC3CC(CC(C3)C1)C2)OC1C(=O)CCCC1
MCULE-3697972904 0.63 C1(O)(COC(CC)C1)C(C)(C)CN
MCULE-8773925954 0.63 NCC1(C2(CC(C3CC3)OC2)O)CC1
MCULE-8112304715 0.63 C1(C)(C(=O)COC(CCC)=O)CCC(C)C1(C)C
MCULE-1346924527 0.63 C(OCC)(C(CCCC)(CC)N)=O
MCULE-9376272006 0.63 [H]C12CC(O)CCC1(C)C1C(CC3(C)C(CCC3C1CC2)C(COC(C)=O)=O)=O
MCULE-7749303975 0.63 NC(C(O)=O)C1C2(CCOCC2)CCC1
MCULE-5339818449 0.63 C1(CCCCC1C(OCCCCOC(=O)C1CCCCC1C(O)=O)=O)C(O)=O
MCULE-1488051465 0.63 NCCCC(OCCCCCCCCCCCC)=O.Cl[H]
MCULE-4369687558 0.63 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(CC(C4(C3CCC2(C1)[H])[H])=O)C(OC)=O
MCULE-2462785098 0.63 C12(CC3CC(CC(C3)O1)C2)C(O)=O
MCULE-2574585541 0.63 CCC(C1(C(C)C(C)OC1)O)(CN)C
MCULE-3416088089 0.63 COCC(OC(C1C2CC3CC(C2)CC1C3)=O)C
MCULE-3411021000 0.63 CC(C1C(C2(CC2)CN)(O)COC1)C
MCULE-3316685265 0.63 CC(C1OCC(C2(CC2)CN)(O)C1)C
MCULE-8724757848 0.63 CC(C1(CC(C2CC2)OC1)O)(CN)C
MCULE-2359876051 0.63 C123C(=O)OC(=O)C1(CC2)CCCCCCCCC3
MCULE-3099018477 0.63 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CC(OC)C2(O)C1
MCULE-7350708055 0.63 OC(C1CCC(OCC2OCCC2)CC1)=O
MCULE-2649536123 0.63 C(OCC)(=O)CC(CCCC)N
MCULE-3389881564 0.63 C1(O)(C(C)CN)COC(C(C)C)C1
MCULE-6971252706 0.63 C1(CC1)C1CC(CO1)(O)CCN
MCULE-7114518835 0.63 C1(C)(C(=O)COC(CC)=O)CCC(C)C1(C)C
MCULE-5965240531 0.63 C1(O)(C(C)CN)COC(C1)C1CC1
MCULE-4623136047 0.63 O1CC(CC1C(C)C)(O)CCN
MCULE-8727268758 0.63 O=C1CCC2(C)C3CCC4(COC(C)=O)CC(CC4C3CC(C2(C1)[H])OC(C)=O)OC(C)=O
MCULE-3483813751 0.63 CCOC(C1(CCCC1)N)=O
MCULE-3091693375 0.63 CCCC(C(OCC(C12CC3CC(CC(C3)C1)C2)=O)=O)C
MCULE-6875047393 0.63 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(CC4C3CCC2(C1)[H])=O)OC(C)=O
MCULE-2016503590 0.63 O=C(CC(C(C(C)=O)C(OCCCC)=O)(C(OCCCC)=O)O)OCCCC
MCULE-8745681154 0.63 C12(CC(OC1=O)COCC(C)C)CC(C)C(CC2=O)=O
MCULE-8690712702 0.63 CC(=O)OC1CCC(=O)CC1
MCULE-6010769267 0.63 C1(CCCO1)(CCCCC(C)=O)CO
MCULE-7899550636 0.63 CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC
MCULE-3706316052 0.63 O(C(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC
MCULE-6639082437 0.63 O(C(=O)CCCCCC)C(=O)CCCCCC
MCULE-1990964564 0.63 [C@@H]1(C(OC)=O)CC[C@H](C(=O)N)CC1
MCULE-7729535272 0.63 [Cl-].C(OC)(CC1CCC(CC1)[NH3+])=O
MCULE-4116058971 0.63 [C@@H]1(C(OC)=O)CC[C@@H](C(=O)N)CC1
MCULE-9779620676 0.63 C(C)(=O)OC1C(O)C2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2(CC1)[H]
MCULE-2386341711 0.63 O(C(CCCCCCCCCCCCCCC)=O)C(CCCCCCCCCCCCCCC)=O
MCULE-2456565439 0.63 O1C(CCCCCCCC1=O)=O
MCULE-1730876573 0.63 CCCCCCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCCCCCC
MCULE-5555438423 0.63 COC(CC1CCC(CN)CC1)=O.Cl
MolPort-004-797-113 0.63 CC(C)(C)OC(=O)C1(N)CCCC1
MolPort-046-672-765 0.63 CCCC[C@H](N)CC(=O)OC(C)(C)C
MolPort-046-510-570 0.63 CC12CCC(CC1)(OC2)C(O)=O
MolPort-046-792-929 0.63 CC(CCCOC(=O)C1CCCCC1C(O)=O)CCCC(O)=O
MolPort-035-837-634 0.63 COCC(C)OC(=O)C1C2CC3CC(C2)CC1C3
MolPort-004-013-650 0.63 CCCC(C)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-006-110-326 0.63 CCCCC(CC)COC(=O)C1CCCCC1C(=O)OCC(CC)CCCC
MolPort-046-765-139 0.63 CCCCC(C)CCCOC(=O)C1CCCCC1C(O)=O
MolPort-004-021-395 0.63 O=C(OC1CCCCC1=O)C12CC3CC(CC(C3)C1)C2
MolPort-002-194-236 0.63 OC(=O)C1CCCCC1C(=O)OCCCCOC(=O)C1CCCCC1C(O)=O
MolPort-046-679-052 0.63 CCOCCC12CC(C1)(C2)C(N)C(=O)OC
MolPort-034-644-679 0.63 OC(=O)C1CCC(CC1)OCC1CCCO1
MolPort-046-646-486 0.63 OC(=O)C12CC3CC(CC(C3)O1)C2
MolPort-028-175-435 0.63 COCCOC(=O)CC1CCCCC1
MolPort-046-657-161 0.63 CC(C)(C)OC(=O)C1(N)CCC(C)(C)C1
MolPort-046-765-138 0.63 [2H]C1([2H])C(C(C(=O)OCCCC(C)CCCC(O)=O)C([2H])([2H])C([2H])([2H])C1([2H])[2H])C(O)=O
MolPort-013-282-209 0.63 CCOC(=O)C1(N)CCCC1
MolPort-023-332-745 0.63 CC(C)CCCCCCOC(=O)C1CCCCC1C(=O)OCCCCCCC(C)C
MolPort-001-903-803 0.63 CC(C)COCC1CC2(CC(C)C(=O)CC2=O)C(=O)O1
MolPort-046-540-516 0.63 Cl.CCOC(=O)C12CCC(CN)(CC1)OC2(C)C
MolPort-023-221-457 0.63 CCCCOC(=O)CC(O)(C(C(C)=O)C(=O)OCCCC)C(=O)OCCCC
MolPort-045-968-049 0.63 CC(=O)CCCCC1(CO)CCCO1
MolPort-028-747-936 0.63 CCCCCCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCCCCCC
MolPort-044-182-043 0.63 Cl.COC(=O)C12CCC(CN)(CC1)CC2
MolPort-003-849-677 0.63 CCCCCCCCOC(=O)CCCCCCCC1OC1CCCCCCCC
MolPort-003-929-233 0.63 CCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCC
MolPort-046-791-713 0.63 Cl.COC(=O)C[C@H]1CC[C@H](CN)CC1
MolPort-001-781-449 0.63 CCCCCCC(=O)OC(=O)CCCCCC
MolPort-003-824-978 0.63 CC(=O)OC1CCC(=O)CC1
MolPort-023-332-582 0.63 COC(=O)C12CCC(CC1)(CC2)C(N)=O
MolPort-028-615-761 0.63 O=C1CCCCCC(=O)O1
MolPort-046-156-347 0.63 CCCCCCCCCCCC(=O)OC(=O)CC
MolPort-019-989-966 0.63 O=C1CCCCCCC(=O)O1
MolPort-001-917-554 0.63 O=C1CCCCCCCCCOCCCCCO1
MolPort-003-987-031 0.63 CCCCCCCC(=O)OC(=O)CCCCCCC
MolPort-002-510-957 0.63 O=C1CCCCCCCCC(=O)OCCCCCO1
MolPort-044-206-430 0.63 Cl.COC(=O)CC1CCC(CN)CC1
MolPort-023-220-039 0.63 Cl.COC(=O)[C@H]1CC[C@H](CN)CC1
MolPort-046-508-366 0.63 O=C1CC2(CCC2)CO1
MolPort-046-686-458 0.63 O=C1CCCCCCCC(=O)O1
MolPort-019-878-050 0.63 Cl.COC(=O)C1CCC(CN)CC1
MolPort-001-787-857 0.63 CCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCC
MolPort-003-939-324 0.63 CCCCCCCCCCCCCCCCCC(=O)OC(=O)CCCCCCCCCCCCCCCCC
MolPort-039-099-199 0.63 CCOC(=O)C12CCCC(CCC1)C(=O)O2
MolPort-027-700-197 0.63 CC(OCC1CCCCO1)C(=O)OC1CCCCC1=O
MolPort-001-739-244 0.63 CCCCCCCCCCC1C(=O)OC(C(O)=O)C1(O)C(O)=O
MolPort-042-693-052 0.63 Cl.COCCOCCOC(=O)C[C@@H](CN)CC(C)C
MolPort-042-603-790 0.63 Cl.CC(C)C[C@H](CN)CC(=O)OCCOC1CCC1
MolPort-020-917-606 0.63 COC(=O)C(N)CC1CCCO1
MolPort-044-203-215 0.63 Cl.NC1C2CCC3(COC(=O)C13)O2
MolPort-002-527-829 0.63 CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H]5O[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]23)C1
MolPort-003-801-804 0.63 CC(=O)C(=O)C12CCC(O1)C1COC(=O)C21C
MolPort-035-770-350 0.63 Cl.CCOC(=O)C(N)CC1CCC1
MolPort-046-697-271 0.63 CC(CC(=O)CC12COC3(CO)CCC1CC23)C(O)=O
MolPort-023-173-748 0.63 O=C(OCC1(CC#N)CC1)C1CCCCC1
MolPort-044-655-143 0.63 Cl.CC(C)(C)OC(=O)C(N)C1CCCCCC1
MolPort-003-848-315 0.63 C[C@H](CCCOC(=O)CCC(O)=O)C1CC[C@H]2C3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)C3C[C@H](O)[C@]12C
MolPort-046-677-667 0.63 CC(C)(C)OC(=O)C1(CN)CC11CCC1
MolPort-046-419-783 0.63 OC(=O)C12CC(CO1)CCC2
MolPort-044-843-262 0.63 CC(C)(C)OC(=O)[C@@H]1CC[C@H](CN)O1
MolPort-046-530-780 0.63 Cl.CCOC(=O)C1(CN)CC2(CCC2)C1
MolPort-046-508-920 0.63 Cl.CCOC(=O)C1(N)CC2(CCC2)C1
MolPort-002-893-957 0.63 CC(C)C1CCC(C)(OC(C)=O)C(CCC(C)=O)C1C#N
MolPort-027-910-500 0.63 CC(=O)CCCCOC(=O)COC1CCCCC1
MolPort-039-052-636 0.63 C[C@@]12O[C@H]3C[C@H]1C[C@@]1(CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(O)=O)[C@H]31)[C@@H]2O
MolPort-042-605-714 0.63 Cl.CCOC(=O)C(N)C1CCCCCC1
MolPort-028-298-896 0.62 CC1CC(C)CC(C1)OC(=O)C1COCCO1
MolPort-046-790-826 0.62 COC(=O)C12OC1C1CCCC21
MolPort-001-770-215 0.62 NC1(CCC2(CC1)OCCO2)C(O)=O
MolPort-027-645-259 0.62 CC(C)(C)C1CCC(CC1)OC(=O)C1COCCO1
MolPort-046-683-281 0.62 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)[C@@H](N)CC(O)=O
MolPort-004-003-994 0.62 BrC12CC3CC(C1)CC(C3)(C2)C(=O)OC1CCOC1=O
MolPort-046-674-294 0.62 Cl.CCOC(=O)C(N)C1CCCCO1
MolPort-001-942-318 0.62 OC(CNC12CC3CC(CC(C3)C1)C2)COC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-038-386-083 0.62 CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)C(O)C2O)C(=C)C5
MolPort-046-683-288 0.62 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)[C@H](N)CC(O)=O
MolPort-002-486-940 0.62 CC(=O)OC12CC3CC(C1)CC(C3)(C2)C(O)=O
MolPort-002-483-738 0.62 CC(=O)OCC(=O)C1CCCCC1
MolPort-028-802-743 0.62 CC1(CCC1)OC(=O)C1CCC(=O)CC1
MolPort-038-947-157 0.62 COC(=O)[C@@]1(N)C[C@H]2CC[C@@H]1C2
MolPort-002-469-821 0.62 O=C1CC2(CCCCCC2)C(=O)O1
MolPort-046-673-080 0.62 CCOCCC12CC(C1)(C2)C(N)C(O)=O
MolPort-028-789-494 0.62 CC1CC(CCC1=O)C(=O)OC1(C)CCC1
MolPort-006-149-807 0.62 CC(O)C1CCC(=O)O1
MolPort-002-501-595 0.62 CC(=O)OC1CC2CCC1C2OC(C)=O
MolPort-003-009-889 0.62 CC(=O)OCC(=O)CC12CC3CC(CC(C3)C1)C2
MolPort-009-019-363 0.62 CCCCCCCC(=O)C[C@H]1CCOC1=O
MolPort-001-900-635 0.62 CC1CC2(C)CC(C)C1(COC(C)=O)CO2
MolPort-046-654-649 0.62 COC(=O)C(C)(N)C1CC2CCC1C2
MolPort-000-248-944 0.62 CC(C)(O)C1CCC2(C)CC1CC(=O)O2
MolPort-044-182-016 0.62 Cl.COC(=O)C12CCC(CN)(CC1)C2
MolPort-046-663-743 0.62 COC(=O)[C@@]1(N)C[C@@H]2CC[C@H]1C2
MolPort-027-906-087 0.62 COCCCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C
MolPort-002-511-540 0.62 CC1C[C@]2(C)CC(C)C1(COC(C)=O)CO2
MolPort-046-510-816 0.62 Cl.COC(=O)[C@@H]1C[C@H]2C[C@@H]1C[C@H]2N
MolPort-000-141-307 0.62 CC(C)(C)OC(=O)CCC(N)(CCC(=O)OC(C)(C)C)CCC(=O)OC(C)(C)C
MolPort-002-507-451 0.62 C[C@H]1CC[C@@H]2N(C1)CC1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5CC(CC[C@]45C)OC(C)=O)[C@@H]3CCC1[C@]2(C)O
MolPort-039-052-539 0.62 CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2[C@@H]2CCN3CCCC[C@H]1[C@H]23
MolPort-007-980-912 0.62 CC1CC[C@@H]2N(C1)CC1[C@@H]3C[C@H]4C(CC(=O)[C@H]5CC(CCC45C)OC(C)=O)[C@@H]3CCC1[C@]2(C)O
MolPort-027-929-927 0.62 CC1(C)OCC(COC(=O)CC2CC3CCC2C3)O1
MolPort-002-510-387 0.62 C[C@H]1CC[C@@H]2N(C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@H](CC[C@]45C)OC(C)=O)[C@@H]3CC[C@H]1[C@]2(C)O
MolPort-005-952-827 0.62 C[C@H]1[C@@H]2CC[C@@]3(C)CC[C@H](NC(C)=O)[C@@H](C)[C@@H]3[C@H]2OC1=O
MolPort-028-602-843 0.62 CC12CCC3C(CCC4CC(=O)CCC34C)C1CCC2C(=O)COC(=O)CCC([O-])=O
MolPort-035-690-285 0.62 CCNC[C@H]1CC[C@H](CC(=O)OCC)CC1
MolPort-002-521-058 0.62 C[C@]12CCC3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)C1CC[C@@H]2C(=O)COC(=O)CCC(O)=O
MolPort-046-761-005 0.62 CCCCCCCCCCCCCCCC(O)CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@]4(C)CC[C@@]32C)C(C)=C)C1(C)C
MolPort-046-148-165 0.62 Cl.CCOC(=O)COC1CCC(N)CC1
MolPort-000-717-964 0.62 COC(=O)C1C2CC(C)CCC2C(C)(C)OC1=O
MolPort-046-761-051 0.62 CCO[C@@H]1CC(=O)C[C@H]2OCC[C@@]12O
MolPort-027-848-765 0.62 C[C@]12CCC3C(CCC4CC(=O)CC[C@]34C)C1CCC2C(=O)COC(=O)CCC(O)=O
MolPort-044-770-116 0.62 Cl.CC(C)(C)OC(=O)[C@@H]1C[C@@H](O)[C@@H](CN)C1
MolPort-042-556-648 0.62 O[C@@H]1C[C@H]2C[C@H]([C@@H]1O2)C(O)=O
MolPort-002-506-952 0.62 C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(O)=O
MolPort-000-248-943 0.62 CC12CCC3C(C1)C(C(=O)O2)C(=O)OC3(C)C
MolPort-046-774-222 0.62 COC(=O)C1CC2COCC(C1)C2N
MolPort-035-836-028 0.62 CC(OCC1CCCO1)C(=O)OC1CCC2CCCCC2C1
MolPort-046-736-482 0.62 OC(=O)CC1CC2OCCC2O1
MolPort-006-067-756 0.62 CCOC(=O)C1CCC(CN=C=O)CC1
MolPort-044-436-037 0.62 COC(=O)C1CC2(C1)CC(N)CCO2
MolPort-044-432-460 0.62 COC(=O)CC[C@@H]1CC[C@@H](O1)C(O)=O
MolPort-006-147-782 0.62 CC12CCC3C(CCC4CC(=O)CCC34C)C1CCC2C(=O)COC(=O)CCC(O)=O
MolPort-003-932-837 0.62 CC1(C)COC(=O)[C@H]1O
MolPort-035-918-672 0.62 CC(=O)OCCCCCCC=O
MolPort-001-794-342 0.62 CC1(C)COC(=O)[C@@H]1O
MolPort-011-284-402 0.62 CCOC(=O)C1CC2CCC1C2
MolPort-044-182-019 0.62 CCOC(=O)C12CCC(C)(CC1)C2
MolPort-002-524-472 0.62 CCOC(=O)CC[C@@H](C)[C@H]1CCC2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C
MolPort-044-182-018 0.62 CCOC(=O)CC12CCC(CC1)(C2)C(=O)OCC
MolPort-035-801-483 0.62 COC(=O)CCCCCCCCCCN
MolPort-046-588-158 0.62 O=C1CCCCC(=O)OCCCCCCO1
MolPort-003-912-014 0.62 CCCCCC(=O)OCCC(C)C
MolPort-006-118-774 0.62 CCCCC(CC)C(=O)OCC(C)C
MolPort-004-952-385 0.62 CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-003-959-971 0.62 CCCCCC(=O)OCCCC
MolPort-006-120-969 0.62 CCCCCCCCCCCCCC(=O)OCCC
MolPort-001-786-512 0.62 CCCCCCOC(=O)CCCCC(=O)OCCCCCC
MolPort-006-113-385 0.62 CCCCC(=O)OC1CCCCC1
MolPort-006-112-221 0.62 CCCCCCCCCCCCCCCCCC(=O)OCC(C)C
MolPort-006-112-128 0.62 CCCCCCCC(=O)OCCC
MolPort-006-127-262 0.62 CCOC(=O)CC1CC2CCC1C2
MolPort-000-872-075 0.62 CCCCOC(=O)CCCCC(=O)OCCCC
MolPort-006-110-599 0.62 CC(C)COC(=O)CCCCCCCC(=O)OCC(C)C
MolPort-001-787-833 0.62 CCCCCCOC(=O)CCCCC
MolPort-028-805-138 0.62 CCOC(=O)CCC1CC2CCC1C2
MolPort-007-980-954 0.62 CCOC(=O)CC[C@@H](C)[C@H]1CCC2C3CCC4C[C@H](O)CCC4(C)[C@H]3C[C@H](O)C12C
MolPort-028-950-983 0.62 COC(=O)CCCCCCCN
MolPort-001-791-663 0.62 CC1(C)COC(=O)C1O
MolPort-003-960-053 0.62 CCCCCCC(=O)OCCC
MolPort-006-115-605 0.62 CCCCCCCCCCCC(=O)OCCC
MolPort-046-596-336 0.62 CCOC(=O)CCC(C)C1CC[C@H]2C3CCC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MCULE-4855710087 0.62 [C@@H]1(C(OC)=O)CC[C@@H](N)CC1
MCULE-5833637266 0.62 C(OC1C2CC3C(C2)C1C(=O)O3)(=O)C=C
MCULE-9885547694 0.62 C1CCC(CCOC(=O)C)OC1
MCULE-2906452357 0.62 O=C(CC1CCC(=O)C1CCCCC)OCCC
MCULE-6657460652 0.62 CCOC([C@H]1O[C@@H](CN)CC1)=O.Cl
MCULE-7314551231 0.62 CC1(C(OC(C2CCC2)=O)CC1OC(C1CCC1)=O)C
MCULE-2219165204 0.62 C(O)(=O)C1CCC(CC1)OC(C)=O
MCULE-4837230476 0.62 O1C(CCCCCCC)CCCC1=O
MCULE-4757386246 0.62 O=C(OCC)CC1(O)CCCCC1
MCULE-7191500938 0.62 CC(COC1C(C)(C)C(OC(C2CCC2)=O)C1)C
MCULE-7844383556 0.62 O1C(CCCCCC)CCCC1=O
MCULE-2214438467 0.62 O(C12CC(O)CCC1(C)C1CCC3(C)C(C(C)CCCC(C)C)CCC3C1CC2)C(C)=O
MCULE-6071532102 0.62 [C@H]1(CCCCCCCCCCC)CCCC(=O)O1
MCULE-9447131815 0.62 C12(CC3CC(CC(C3)C1)C2)C1(C)OC(=O)C1
MCULE-9682850380 0.62 O=C(OCC)[C@@H]1CCCC[C@H]1O
MCULE-3666672507 0.62 C(C)(=O)OC1CCOCC1CCCCC
MCULE-6230504256 0.62 COC(C1CCC(N)CC1)=O
MCULE-6643218327 0.62 C1CC(OC(C)=O)CCCCO1
MCULE-4422319372 0.62 [C@]12(C)CCC3[C@@]([H])(CC([C@@]4(O)C[C@H](OC(C)=O)CC[C@@]43C)=O)C1C[C@H]1[C@@H]2[C@H](C)[C@]2(O1)CC[C@H](CO2)C
MCULE-5855223168 0.62 C1C(CCCC)OC(CC1)=O
MCULE-9025537110 0.62 [C@H]1(CCCC[C@@H]1O)C(OCC)=O
MCULE-2155577748 0.62 C12(CC3(C)CC(C(C(C3)(C)C1)C)C2)C1(C)CC(O1)=O
MCULE-2738981557 0.62 C1(C)(C(CCC(=O)C)C(C(C(C)C)CC1)C#N)OC(C)=O
MCULE-7047639208 0.62 C(=O)(OC(C)(C)C)C1CC2CC1C(C2)=O
MCULE-8671162870 0.62 CC(C1C(C(C(O)=O)C)(O)COC1)C
MCULE-5754647175 0.62 O=C(OCC)[C@@H]1CCCC[C@@H]1O
MCULE-6027855908 0.62 C12(CCC(C(O)C1O)(C)C2(C)C)C(OCC)=O
MCULE-3165114207 0.62 [C@@H]1(C(OC)=O)CC[C@H](N)CC1
MCULE-6439850994 0.62 CC(C1(C(C)C(C)OC1)O)C(O)=O
MCULE-2792905042 0.62 C1(CCCCCCCC)CCCC(=O)O1
MCULE-4825372787 0.62 COC(C(C1COC(C)CC1)O)=O
MCULE-8483675231 0.62 C(CCCC(CCCCCCC)=O)(OCCCCCCCCCCC)=O
MCULE-1958534298 0.62 CC(CCCCOC(COC1CCCCC1)=O)=O
MCULE-7856753337 0.62 C1(CCCCCCCCCCOCCCCO1)=O
MCULE-9680427618 0.62 C12(CC(N)C(=O)OC(C)(C)C)CC1C2
MCULE-8707557136 0.62 C1(CCCCC1O)C(OCC)=O
MCULE-5242980253 0.62 CCC1C(CC(O)=O)(O)COC1
MCULE-8938614477 0.62 C1CCC(=O)OC1CCCCCCCCC
MCULE-2997690280 0.62 COC(C(C1C(C)C(C)OC1)O)=O
MCULE-8722046583 0.62 [C@H]1(CCCC[C@H]1O)C(=O)OCC
MCULE-5058488021 0.62 CCOC(C1(CC2(CCC2)C1)CN)=O.Cl
MCULE-6982215893 0.62 [H]C12CCCCC1(C)C1CCC3(C)C(C(O)CC3C1CC2)OC(C)=O
MCULE-2487361557 0.62 CC(C1C(CC(O)=O)(O)COC1)C
MCULE-1124710220 0.62 [H]C12CCCCC1(C)C1CCC3(C)C(O)C(CC3C1CC2)OC(C)=O
MCULE-2312413881 0.62 C12(CCC(C3COC(=O)C13C)O2)C(=O)C(C)=O
MCULE-8772814596 0.62 C1(CCCCCCCCC(=O)OCCCCO1)=O
MCULE-5679021729 0.62 Cl.CCOC(C(CC1CCC1)N)=O
MCULE-2527242599 0.62 O1C(CCCCC)CCCC1=O
MCULE-9798665488 0.62 CC1C(C)C(C(C(O)=O)(C)C)(O)CO1
MCULE-4303110242 0.62 C(C)(=O)OC1C(C)(C)C2CCC3(C)C4(C)CCC5(CCC(C)C(C)C5C4C(CC3C2(C)CC1)=O)C(OC)=O
MCULE-3794621808 0.62 Cl.CCOC(C(C1CCCCCC1)N)=O
MCULE-7450264418 0.62 [H]C12CCCCC1(C)C1CCC3(C)C(C(O)CC3C1CC2)OC(C)=O.[H]C12CCCCC1(C)C1CCC3(C)C(O)C(CC3C1CC2)OC(C)=O
MCULE-5750075431 0.62 CCC1C(C(C(O)=O)(C)C)(O)COC1
MCULE-9846030301 0.62 C1(OC(C)=O)C2CCC(C2)C1O
MCULE-2708097505 0.62 [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](C[C@@]1(CC3)[H])OC(C)=O)[H]
MCULE-5698365437 0.62 CCOC([C@H]1O[C@@H](CN)CC1)=O
MCULE-1064915888 0.62 OC(C1OC2(CCC3(CC3)CC2)CC1)=O
MCULE-4466478198 0.62 C12(CC(CC(C(=O)O)C)=O)C3CCC(CO)(C1C3)OC2
MCULE-4809170686 0.62 COC(C12CCCC(C1)(CN)OC2)=O
MCULE-8479495198 0.62 C1(=O)CCC2CCC1C1C(=O)OC(=O)C12
MCULE-6764715086 0.62 [C@@]12(C)COC(=O)[C@@]1(C)CC[C@H]2C(O)=O
MCULE-6707833291 0.62 C1(COC2CCCC(N)C12)C(OC)=O
MCULE-2007846564 0.62 CCC1C(C(C(O)=O)C)(O)COC1
MCULE-9238702214 0.62 O=C(C1CCCCC1)OCC1(CC1)CC#N
MCULE-8507360329 0.62 OC(C1OC2(C3(CCCC3)CC2)CC1)=O
MCULE-2781139873 0.62 C1(O)(COC(C)C1C)CC(O)=O
MCULE-2888816540 0.62 C12(C)COC(=O)C1(C)CCC2C(O)=O
MCULE-1865184915 0.62 O=C(OCC)C1(C2(CC2)CC1)N
MCULE-8119132580 0.62 C123C(=O)OC4CCC5C4C1C1C4C2C2CCC6OC(=O)C3(C51)C4C26
MCULE-7791772348 0.62 [C@@H]1(CCC(=O)C)[C@](C)(OC(=O)C)CC[C@@H](C(C)C)[C@@H]1C#N
MCULE-7446852574 0.62 C12C(=O)OC3([H])CCC4([H])CC([H])(C1([H])C34[H])C1CC3C4C1C2([H])C(=O)OC4CC3
MCULE-3222655792 0.62 CC(C1C(C(C(O)=O)(C)C)(O)COC1)C
MCULE-1480212854 0.62 C123C(O)C(O)C(C(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O)O
MCULE-6053665885 0.62 BrC12CC3CC(CC(C(OC4C(=O)OCC4)=O)(C3)C1)C2
MCULE-7412977673 0.62 C12(CC3CC(CC(C3)C1)C2)C(=O)OCC(O)CNC12CC3CC(CC(C3)C1)C2
MCULE-5973982635 0.62 COC1(C(O)=O)CC(C2CC2)OC1
MCULE-1738964478 0.62 COC(C(OC(C[C@H](CC(C)C)CN)=O)C)=O
MCULE-4573476108 0.62 CCCC1C2(C(=O)OC(=O)C2)COC1
MCULE-4184830789 0.62 CC1CC(OC(C2OCCOC2)=O)CC(C)C1
MCULE-2546066935 0.62 C[C@@]12[C@@]([H])([C@H](C)CCC(=O)O)CC[C@@]1([H])[C@]1([H])CC[C@]3([H])C[C@H](OC(=O)[C@@H](N)CC(=O)O)CC[C@]3(C)[C@@]1([H])CC2
MCULE-1756470092 0.62 COC(COC(C[C@H](CC(C)C)CN)=O)=O
MCULE-6535187675 0.62 CCC1OCC2(C(=O)OC(=O)C2)C1
MCULE-4458928847 0.62 CC(C1OCC2(C(=O)OC(=O)C2)C1)C
MCULE-4247632682 0.62 C12(OCCO1)CCC(N)(C(=O)O)CC2
MCULE-8944376671 0.62 C(O)(C1C(C(COC1)C(O)(C(OCC)=O)C(OCC)=O)=O)(C(OCC)=O)C(OCC)=O
MCULE-3372670903 0.62 C[C@]12CC[C@]3([H])[C@]4(CC[C@@H](OC(=O)[C@H](N)CC(=O)O)C[C@@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)O)C
MCULE-8786511341 0.62 Cl.CCOC(C(C1OCCCC1)N)=O
MCULE-7006334814 0.62 CC(C1CCC(OC(C2OCCOC2)=O)CC1)(C)C
MCULE-6584765720 0.62 C12(C)C(=O)OCC(CC1)C2(C)C
MCULE-4486998589 0.62 C12(CC1C(=O)OC2(C)C)C
MCULE-8338872527 0.62 C12(COC(C)=O)COC(CC1C)(CC2C)C
MCULE-5602266047 0.62 C12(COC(C)=O)COC(CC1C)(CC2C)C
MCULE-9552414046 0.62 CC1C2(C(=O)OC(=O)C2)CCCCC1
MCULE-7778019213 0.62 O=C1OC(=O)C2(CCCCCC2)C1
MCULE-8066142738 0.62 C(N)(CCC(=O)OC(C)(C)C)(CCC(=O)OC(C)(C)C)CCC(OC(C)(C)C)=O
MCULE-4859427012 0.62 CC(C1C(CC=O)(O)COC1)C
MCULE-2074936028 0.62 CC(OC1(C(O)=O)CC2CC(CC2)C1)C
MCULE-8516910908 0.62 C([O-])(CCC1(C)C2CCC3(C)C(CCC3C2CCC1=O)C(C)([H])OC(C)=O)=O.[Na+]
MCULE-6276730533 0.62 C(COC(C)=O)(CC12CC3CC(C1)CC(C2)C3)=O
MCULE-6901858642 0.62 COC(C12CC(CC1N)CC2)=O
MCULE-5367906882 0.62 N[C@H]1[C@@H](C(CC2CCOCC2)=O)CCC1
MCULE-2378944375 0.62 CC(C[C@@H](CC(OC(C)C)=O)CN)C
MCULE-1251898506 0.62 CCC1C(CC=O)(O)COC1
MCULE-5639861987 0.62 C1(C)(C(=O)COC(C)=O)CCC(C)C1(C)C
MCULE-8294926143 0.62 C1CC(CCC(=O)O)OC1=O
MCULE-9567091665 0.62 [C@@H]1(CCCC(=O)OC)O[C@H]1CO
MCULE-8324202831 0.62 CC1C(=O)CCC(C(OC2(CCC2)C)=O)C1
MCULE-5253734063 0.62 CC1C(C)C(CC=O)(O)CO1
MCULE-6951402426 0.62 CC1(OC(C2CCC(=O)CC2)=O)CCC1
MCULE-7014514168 0.62 C12(CCC(CC1)(C)C2(C)C)CC(N)C(OC)=O
MCULE-2487371437 0.62 C12(CCC(CC1)C2(C)C)CC(N)C(OC)=O
MCULE-2201816950 0.62 O1C(C(C)O)CCC1=O
MCULE-1895387433 0.62 COCCCC(O[C@H]1[C@@]2(C(C)(C)[C@@H](CC2)C1)C)=O
MCULE-9883450473 0.62 C12(CCC(CC1)C2)CC(N)C(OC)=O
MCULE-4217245388 0.62 C12CC(C)(CCC1C(C)(C)O)OC(=O)C2
MCULE-3558208618 0.62 C12(CC3CC(CC(C3)(OC(C)=O)C1)C2)C(O)=O
MCULE-6330964986 0.62 CCOC1(C(O)=O)CC2CC(CC2)C1
MCULE-5693594902 0.62 C12(CC3CC(CC(C3)C1)C2)C(=O)COC(C)=O
MCULE-3094777117 0.62 C1CC2CC(C1C2OC(=O)C)OC(C)=O
MCULE-3029048810 0.62 [H]C12CC(OC)(OC)CCC1(C)C1CC(C3(C)C(C(C)CCC(OC)=O)CCC3C1CC2)OC(C)=O
MCULE-3938743170 0.62 C(OC)(C12CCC(O)CC1(O)CCC1C3(CCC(C3(C)CCC21)C(OCC)=O)[H])=O
MCULE-2648147039 0.62 O1CCC(CCC(C)C)(CCC(O)=O)C1=O
MCULE-3601814739 0.62 C1(C(OCC)=O)C(N)C2OC1CC2
MCULE-5749202466 0.62 CC1(OC(COC(CC2C3CC(CC3)C2)=O)CO1)C
MCULE-9689457240 0.62 N12C[C@@H](C)CC[C@@]1([H])[C@@](C1([H])CC[C@]3([H])[C@@]([H])(C[C@]4([C@@]3([H])CC([C@@]3([H])CC(CC[C@]43C)OC(C)=O)=O)[H])C1([H])C2)(C)O
MCULE-4124053225 0.62 N12C[C@@H](C)CC[C@@]1([H])[C@@]([C@]1([H])CC[C@]3([H])[C@@]([H])(C[C@]4([C@@]3([H])CC([C@@]3([H])C[C@H](CC[C@]43C)OC(C)=O)=O)[H])[C@]1([H])C2)(C)O
MCULE-6853538068 0.62 N12CC(C)CCC1([H])C(C1([H])CCC3([H])C([H])(CC4(C3([H])CC(C3([H])CC(CCC43C)OC(C)=O)=O)[H])C1([H])C2)(C)O
MCULE-3239562758 0.62 C1[C@@H]([C@H]([C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]2(C1)C)C)NC(=O)C
MCULE-3586994975 0.62 C1C[C@]2([H])[C@@H](CC)[C@@]3([H])OC(=O)[C@@H](C)[C@@]3([H])[C@]3([H])CCN([C@]23[H])CC1
MCULE-7081799618 0.62 CC1C2(OC(C=O)CCC2)COC1
MCULE-4419118971 0.62 CC(C1C2(OC(C=O)CCC2)COC1)C
MCULE-2704277235 0.62 CC1OCC2(OC(C=O)CCC2)C1
MCULE-9606267123 0.62 CC1C(C)C2(OC(C=O)CCC2)CO1
MCULE-8534526843 0.62 COC(C1C2(CC2)OCC1O)=O
MCULE-5517052622 0.62 CCC1C2(OC(C=O)CCC2)COC1
MCULE-6204937194 0.62 CCC1OCC2(OC(C=O)CCC2)C1
MCULE-4752219440 0.62 C12(CCC31CCCC3)OC2C(OC)=O
MCULE-4619596177 0.62 C(OCC)(=O)C[C@@H]1CC[C@@H](CNCC)CC1
MCULE-5125376545 0.62 O1CCC(CCCCC)(C1=O)C(OCC)=O
MCULE-2744859161 0.62 O1CCC(CCCC)(C1=O)C(OCC)=O
MCULE-8212954223 0.62 C12(CCC31CCCCC3)OC2C(OC)=O
MCULE-8892137342 0.62 C(=O)=NCC1CCC(CC1)C(OCC)=O
MCULE-7416371352 0.62 [C@H]1(C[C@H]2O[C@@H]1[C@@H](C2)O)C(O)=O
MCULE-3989600273 0.62 CC(C(OC1CC2C(CCCC2)CC1)=O)OCC1OCCC1
MCULE-8115203708 0.62 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(CCC(O)=O)=O)[H]
MCULE-1582891230 0.62 O1C2C1CC(CC2)C(OCCO)=O
MCULE-2083783413 0.62 C1(C)(C(OC)=O)OC21CCC12CCCC1
MCULE-7944345842 0.62 [C@@H]1(C[C@H]2O[C@@H]1[C@H](C2)O)C(O)=O
MCULE-8712979898 0.62 O1CCC(CCC(C)C)(C1=O)C(OCC)=O
MCULE-4604395244 0.62 [C@@]12(C[C@H](CC[C@]1(C)C1C(C3CCC([C@H](C)CCCC(C)C)[C@]3(CC1)C)C[C@H]2OC(C)=O)OC(C)=O)OC(C)=O
MCULE-9669568275 0.62 C1(CC)(C(OC)=O)OC21CC(C2)C
MCULE-5615307259 0.62 C12(C(C)C(C1)C)OC2(CC)C(OC)=O
MCULE-7291530675 0.62 C1(CC)(C(OC)=O)OC21C(C)CC2
MCULE-4936775895 0.62 CCCC1C2(OC(C=O)CCC2)COC1
MCULE-8180404733 0.62 OC(C1(CC(C2CC2)OC1)O)=O
MCULE-7037294408 0.62 C1(CC)(C(OC)=O)C2(O1)CCC2
MCULE-7627910768 0.62 C12C3CC(OC1=O)(C)CCC3C(OC2=O)(C)C
MCULE-6439432742 0.62 C1(CC)(C(OC)=O)C2(O1)CCCCCC2
MCULE-6900519877 0.62 O=C(COC(CCC(=O)[O-])=O)[C@H]1CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CCC(C[C@@]3([H])CC[C@@]21[H])=O
MCULE-1923546711 0.62 C12(C)CCC3C(CCC4CC(=O)CCC34C)C1CCC2C(=O)COC(CCC(O)=O)=O
MCULE-4446555009 0.62 C1(CC)(C(OC)=O)OC21CC(C2)(C)C
MCULE-2599098767 0.62 CC(C1OCC2(OC(C=O)CCC2)C1)C
MCULE-6500220082 0.62 C1(CC)(C(OC)=O)OC21CCC2(C)C
MCULE-8383427047 0.62 C1(=O)OC(C)(C)C2C(CC(CC2)C)C1C(OC)=O
MCULE-6301820973 0.62 C1(CC2C(CCCC2)C1)C(OCC)=O
MCULE-5905057635 0.62 O1C(CCCCC(=O)OCC)CCC1CCCCC(=O)OCC
MCULE-1379755407 0.62 C1(O)C(=O)OCC1(C)C
MCULE-1852439276 0.62 C(C(CCCC)CC)(=O)OCCC
MCULE-7024747054 0.62 C1(O)CCC2(C)C3([H])CC(O)C4(C)C([H])(C(CCC(=O)OCC)C)CCC4([H])C3([H])CCC2([H])C1
MCULE-5039254404 0.62 CCCCCCCCCCCCCCCCCC(=O)OCC(C)C
MCULE-1198992324 0.62 O=C1CCCCC(OCCCCCCO1)=O
MCULE-8207163347 0.62 C(OCCC(C)C)(CCCCC)=O
MCULE-9916183085 0.62 CCCCCCCCCCCC(=O)OCCC
MCULE-1523390021 0.62 C1(=O)[C@H](O)C(CO1)(C)C
MCULE-3198712852 0.62 O=C(CCCCCCCC(=O)OCC(C)C)OCC(C)C
MCULE-7438606212 0.62 C(CCCCC)(OCCCC)=O
MCULE-2896735365 0.62 C(OC(=O)CCCCCCCCC)C(C)C
MCULE-4242205405 0.62 [C@@H]1(O)C(=O)OCC1(C)C
MCULE-4377149648 0.62 C1(C)(C)C(C)CCC1(C)COC(CCC)=O
MCULE-2996113147 0.62 COC(CCCCCCCCCN)=O
MCULE-2136464867 0.62 CCCCCCCCCCCCCC(=O)OCCC
MCULE-2206761895 0.62 C1(=O)C(O)C(CO1)(C)C
MCULE-2970530545 0.62 C(CCCCC(OCCCCCC)=O)(OCCCCCC)=O
MCULE-4415864268 0.62 C12(C)CC(C(OCC)=O)C(CC1)C2(C)C
MCULE-1824162507 0.62 [H]C12CCCCC1(C)C1CC(C3(C)C(C(C)CCC(OCC)=O)CCC3C1CC2)=O
MCULE-8986629860 0.62 C(O)(C(C)CCCCCCCCCCCOCCO)=O
MCULE-3174162228 0.62 COC(CCCCCCN)=O
MCULE-2455123915 0.62 C(C)(OCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)=O)=O
MCULE-1144255717 0.62 [C@@]12(C)[C@@H]([C@H](C)CCC(OCC)=O)CCC1[C@]1(C([C@@]3(C)CC[C@H](C[C@@]3(CC1)[H])O)C[C@@H]2O)[H]
MCULE-1541771980 0.62 CCOC(CCC1C2CC(CC2)C1)=O
MCULE-3908533499 0.62 O=C1[C@@H](O)C(C)(C)CO1
MCULE-7725816513 0.62 C1(CC2CC1CC2)C(OCC)=O
MCULE-6309887109 0.62 O=C(CCCCCC)OCCC
MCULE-6481144291 0.62 C(C(CCCC)CC)(=O)OCC(C)C
MCULE-4135523920 0.62 C(=O)(CCCCC)OCCCCC
MCULE-8336851336 0.62 O=C(CCCCCC)OCC(C)C
MCULE-5321315306 0.62 C(CCCCC)(OCCCCCC)=O
MCULE-8513857573 0.62 C(OC(C)=O)CCCCCC=O
MCULE-3976335995 0.62 C(CCCCC(OCCCC)=O)(OCCCC)=O
MCULE-6977613194 0.62 CC1([C@@H](O)C(=O)OC1)C
MCULE-3361449332 0.62 COC(CCCCCCCN)=O
MCULE-2097053515 0.62 C(CCCCCCCCCCCN)(OC)=O
MCULE-9980770025 0.62 C(CCCCCCCCCCN)(OC)=O
MCULE-1118824383 0.62 O=C(CO)O[C@@H]1C[C@](C=C)(C)[C@@H](O)[C@H](C)[C@]23CC[C@@H](C)[C@]1([C@]2([H])C(=O)CC3)C
MCULE-3320906599 0.62 C1(=O)C2C(C)(C)OC(CC2)(C)C(C(C)C)O1
MCULE-1302764179 0.62 C1(=O)OC(C)(C)C2(CCC1C(C)(C)O2)C
MCULE-4277437706 0.62 C1(=O)OC(CC)(CC)C2(CCC1C(C)(C)O2)C
MCULE-3928791581 0.62 C[C@H]1[C@@H]([C@](C[C@@H](OC(=O)CO)C2([C@H](C)CCC31CCC(=O)[C@]32[H])C)(C)C=C)O
MCULE-1440046226 0.62 C1(=O)OC(CC1C(C)=O)CC
MCULE-5055182991 0.62 C1(=O)OC(CC1C(C)=O)C(C)C
MCULE-5379390375 0.62 C1(=O)OC(CC1C(CCC)=O)CC
MCULE-3800911337 0.62 CC(C1(COC(C)CC1)O)C(O)=O
MCULE-4450671375 0.62 CC(C(C1(COC(C)CC1)O)C(O)=O)C
MCULE-8903037904 0.62 CC1C(C2C(O)COC2)(N)CCC1
MCULE-9754962907 0.62 CC1OCC(CC(O)=O)(O)CC1
MCULE-6758166245 0.62 CCCCCCCCCCCCCCCCCC(OCCC(O)=O)=O
MCULE-6858197725 0.62 C(CN)(C1CCC1)C(OCC)=O
MCULE-3718200684 0.62 OC(C(O)=O)C1OCCCC1
MCULE-3344053782 0.62 CC1C(C2C(O)COC2)(N)CCCC1
MCULE-5526949759 0.62 CCOC(C1CC(N)CC1)=O
MCULE-6264774313 0.62 CC1CCC(C2C(O)COC2)(N)CC1
MCULE-3329540591 0.62 CCC1OCC(C2(CCC2)CN)(O)C1
MCULE-5499131242 0.62 CC(OC([C@H]1C[C@@H](N)CC1)=O)(C)C
MCULE-9632190631 0.62 CC1C(C)C(C2(CCC2)CN)(O)CO1
MCULE-3209597340 0.62 CCC1C(C2(CCC2)CN)(O)COC1
MCULE-1495331118 0.62 C(C)(=O)OC1CCC2(C)C3(O)CCC4(C)C(CC(C4C3CCC2(C1)[H])OC(C)=O)C(C)=O
MCULE-5926590015 0.62 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(CC(C4C3CCC2(C1)[H])OC(C)=O)C(C)=O)OC(C)=O
MCULE-2013706859 0.62 CC[C@@H](C(C1CC2(CCC2)OCC1)=O)N
MCULE-8536739574 0.62 O1C2(CCCCC2)C1C(=O)O
MCULE-1837395901 0.62 C(CCCCCN(C)C)(OCC)=O
MCULE-8456083540 0.62 CC1CC(C2C(O)COC2)(N)CCC1
MCULE-1560455780 0.62 C(OCC)(=O)C(N)(CC)CCCC.[H]Cl
MCULE-9648782269 0.62 NC1(C2C(O)COC2)CCC(O)CC1
MCULE-5559332349 0.62 CCC1CC(C2C(O)COC2)(N)CC1
MCULE-8725196159 0.62 C1C(=O)C2(CCOC2=O)CCC1
MCULE-7327746793 0.62 C[C@@H](C(C1CC2(CCC2)OCC1)=O)N
MCULE-2293395114 0.62 Cl.CCOC(C1(CCCC1)N)=O
MCULE-8403724896 0.62 C(=O)(OCC)C(N)CCCCN
MCULE-6648259380 0.62 C(OCC)(=O)CC(CCCC)N.Cl
MCULE-2674859043 0.62 NC1(C2C(O)COC2)CCCCC1
MCULE-6161225514 0.62 C(N)(CCCCN)C(=O)OCC
MCULE-3988865124 0.62 C(OCC)(=O)[C@H](CCCCN)N
MCULE-6370873846 0.62 [H][C@@](C(OCC)=O)(CCCCN)N
MCULE-4123968691 0.62 CC(CCC(OCC1OCCCC1)=O)C
MCULE-8072756727 0.62 CCOC(CC1CCC2(OCCO2)CC1)=O
MCULE-4267519292 0.62 CCC(C1(COC(C)CC1)O)C(O)=O
MCULE-3698204833 0.62 CC1OCC(C(C(O)=O)(C)C)(O)CC1
MCULE-1074807015 0.62 O=C(OCC(O)=O)CCCCCCCCCCCCCCC
MCULE-7867884823 0.62 COC(C1C(OC(CCCCCNC(C)=O)=O)CCCC1)=O
MCULE-9550883582 0.62 C1(C(O)C(O)=O)C(O)C(C(=O)O1)O
MCULE-3793674300 0.62 CC1OCC2(OC(C(O)=O)(C)CC2)C1
MCULE-6940856103 0.62 COC1CC(OC(CC2OCCO2)=O)CCC1
MCULE-6344788668 0.62 CC1C2(OC(C(O)=O)CC2)COC1
MCULE-7295806664 0.62 CCC1C2(OC(C(O)=O)CC2)COC1
MCULE-7557117255 0.62 CCC1OCC2(OC(C(O)=O)CC2)C1
MCULE-2893340805 0.62 CCC1C2(OC(C(O)=O)(C)CC2)COC1
MCULE-6995402092 0.62 CC1OCC2(OC(C(O)=O)CC2)C1
MCULE-5418299836 0.62 CCC(COC(C[C@H](CC(C)C)CN)=O)=C
MCULE-7997740672 0.62 COC(C(C1OCCCC1)N)=O
MCULE-3731039250 0.62 Cl.CCOC(=O)C(O)CCC(N)C(=O)OCC
MCULE-3910634853 0.62 CC(C1OCC2(OC(C(O)=O)CC2)C1)C
MCULE-2179505150 0.62 CC1C2(OC(C(O)=O)(C)CC2)COC1
MCULE-4220781784 0.62 CCC1OCC2(OC(C(O)=O)(C)CC2)C1
MCULE-6136560083 0.62 CC(C1C2(OC(C(O)=O)CC2)COC1)C
MCULE-1352355528 0.62 CC1C(C)C2(OC(C(O)=O)(C)CC2)CO1
MCULE-8079015611 0.62 CCCC1C2(OC(C(O)=O)CC2)COC1
MCULE-1094491357 0.62 CC1C(C)C2(OC(C(O)=O)CC2)CO1
MCULE-5930268197 0.62 Cl.COC(C12CCCC(C1)(CN)OC2)=O
MCULE-4921576753 0.62 Cl.COC(C1C2(CCC(N)CC2)C1)=O
MCULE-8640131781 0.62 [C@@H]1(CCCCCCCCCCC)CCCC(=O)O1
MCULE-8958889325 0.62 C1(CCCCCCCCCCC(CCCO1)O)=O
MCULE-9164598130 0.62 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC4C3CCC2(O)C1
MolPort-046-153-862 0.62 CCC(C)[C@@](O)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@@H]12
MolPort-006-395-732 0.62 C[C@@H]1CCC23CCC(=O)[C@H]2C1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO
MolPort-046-793-300 0.62 C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO
MolPort-009-194-208 0.62 CC1CC[C@@]23CCC(=O)[C@H]2[C@@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CO
MolPort-046-736-886 0.62 OC(=O)C1CC2(CCCC2)CO1
MolPort-028-386-734 0.62 CC(C)CCC(=O)OCC1CCCCO1
MolPort-003-824-973 0.62 CCOC(=O)CC1CCC2(CC1)OCCO2
MolPort-046-684-190 0.62 CCCCCCCCCCCCCCCCCC(=O)OCCC(O)=O
MolPort-023-403-994 0.62 CCOC(=O)CC(N)C1CCC1
MolPort-046-658-674 0.62 CC1CCC1(CN)C(=O)OC(C)(C)C
MolPort-042-621-024 0.62 CC(C)(C)OC(=O)[C@@H]1CC[C@H](N)C1
MolPort-023-274-433 0.62 CC(CCOC(=O)CCC(O)=O)CCC1(C)C(C)CCC2(C)C1CC(O)C(O)C2(C)O
MolPort-000-001-012 0.62 Cl.CCOC(=O)C1(N)CCCC1
MolPort-035-771-374 0.62 Cl.COC(=O)C(N)CCC1CCOCC1
MolPort-042-683-376 0.62 CC(C)(C)OC(=O)C(CN)C1CCC1
MolPort-003-800-454 0.62 [O-]C(=O)C1OC11CCCC1
MolPort-029-997-384 0.62 Cl.CCCCC(N)CC(=O)OCC
MolPort-003-719-861 0.62 CCCCCCOC(=O)C(N)CC(C)C
MolPort-027-933-095 0.62 COC(=O)C1CCCCC1OC(=O)CCCCCNC(C)=O
MolPort-006-668-403 0.62 COC1CC2(CC[C@@]3(O2)[C@H](C)C[C@H]2OC(=O)[C@@]4(C)CCC[C@]3(C)C24)CO1
MolPort-004-964-887 0.62 OC(C=O)C1OC(=O)C(O)C1O
MolPort-002-512-951 0.62 OC([C@H]1OC(=O)[C@H](O)[C@H]1O)C(O)=O
MolPort-046-666-287 0.62 CCOC(=O)[C@H]1[C@@H]2CC[C@](N)([C@H]12)C(O)=O
MolPort-028-601-448 0.62 O[C@H](C=O)[C@H]1OC(=O)[C@H](O)[C@@H]1O
MolPort-046-671-909 0.62 CC(C)(C)OC(=O)[C@H]1[C@@H]2CC[C@](N)([C@H]12)C(O)=O
MolPort-046-736-145 0.62 OC(=O)C1CCC2(CCOC2)O1
MolPort-029-939-185 0.62 CCOC(=O)C1(CC(N)=O)CCCCC1=O
MolPort-001-792-475 0.62 O[C@@H](C=O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
MolPort-038-979-165 0.62 COC1CCCC(C1)OC(=O)CC1OCCO1
MolPort-028-960-136 0.62 O.O[C@@H]([C@H]1OC(=O)[C@H](O)[C@H]1O)C(O)=O
MolPort-006-394-620 0.62 OC([C@H]1OC(=O)[C@@H](O)[C@@H]1O)C(O)=O
MolPort-044-182-098 0.62 Cl.COC(=O)C12CCC(CN)(CC1)CCC2
MolPort-044-770-044 0.62 Cl.CCOC(=O)[C@@H]1CC[C@H](CN)O1
MolPort-046-639-071 0.62 Cl.COC(=O)C1CCC2(CC(N)C2)CC1
MolPort-002-743-248 0.62 CCOC(=O)CC1(O)C2CC3CC(C2)CC1C3
MolPort-046-417-986 0.62 CCCCCC1C(CC(=O)OCCC)CCC1=O
MolPort-006-118-696 0.62 CCCCCCCCC1CCCC(=O)O1
MolPort-003-939-505 0.62 CCCCCCCCCC1CCCC(=O)O1
MolPort-044-649-717 0.62 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC(=O)C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
MolPort-044-561-395 0.62 CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(O)=O
MolPort-002-135-860 0.62 CC1C2CC3(C)CC1(C)CC(C2)(C3)C1(C)CC(=O)O1
MolPort-046-661-595 0.62 COC(=O)CC1(CCN)CCCCC1
MolPort-027-708-018 0.62 CC(C)COC1CC(OC(=O)C2CCC2)C1(C)C
MolPort-002-525-856 0.62 C[C@H]1[C@H]2[C@H](CC3[C@@H]4CC(=O)[C@@]5(O)C[C@@H](CC[C@]5(C)C4CC[C@]23C)OC(C)=O)O[C@]11CC[C@@H](C)CO1
MolPort-042-683-223 0.62 Cl.COC(=O)C12[C@@H]3C4C1C1[C@H]2[C@H]3C41CN
MolPort-002-641-942 0.62 CC(=O)OC1C(O)C2CCC1C2
MolPort-001-012-432 0.62 CCCCCCCCCCCOC(=O)CCCC(=O)CCCCCCC
MolPort-002-135-858 0.62 CC1(CC(=O)O1)C12CC3CC(CC(C3)C1)C2
MolPort-001-917-578 0.62 O=C1CCCCCCCCCCOCCCCO1
MolPort-002-911-122 0.62 CC(C)CCCC(C)C1CCC2C3CC[C@@]4(O)CC(CCC4(C)C3CCC12C)OC(C)=O
MolPort-044-183-354 0.62 CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(O)=O
MolPort-029-080-150 0.62 CCOC(C1CCCC1)C(O)=O
MolPort-001-917-570 0.62 O=C1CCCCCCCCC(=O)OCCCCO1
MolPort-008-267-999 0.62 COC(=O)[C@@H]1CC[C@H](N)CC1
MolPort-044-183-374 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([2H])([2H])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-046-673-763 0.62 Cl.COC(=O)C12COC(CN)(C1)CCC2
MolPort-001-917-089 0.62 CC(=O)OC1CCC(CC1)C(O)=O
MolPort-044-729-656 0.62 CC(C)CC1CC(=O)OC1=O
MolPort-001-893-942 0.62 OC1CCCCCCCCCCC(=O)OCCC1
MolPort-046-148-722 0.62 CC(C)C1OC(=O)CCC1C
MolPort-003-960-102 0.62 CCCCC1CCCC(=O)O1
MolPort-023-278-508 0.62 CCOC(=O)[C@@H]1CCCC[C@H]1O
MolPort-003-929-325 0.62 CCCCCCC1CCCC(=O)O1
MolPort-008-268-000 0.62 COC(=O)[C@H]1CC[C@H](N)CC1
MolPort-002-499-500 0.62 CCOC(=O)[C@H]1CCCC[C@@H]1O
MolPort-039-060-911 0.62 O=C1CC2(CCCCC2)CCO1
MolPort-029-205-339 0.62 COC(=O)C1CCCC(CN)C1
MolPort-046-592-492 0.62 COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)CC3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)C4CC[C@@]3(C)[C@]1(C)CC2
MolPort-000-003-570 0.62 CCOC(=O)C1CCCCC1O
MolPort-038-386-504 0.62 CC(=O)OCC1(O)CC23CC1CCC2C1(C)CCCC(C)(O)C1CC3
MolPort-001-769-698 0.62 CCCCCC1CCCC(=O)O1
MolPort-004-781-269 0.62 COC(=O)C1CCC(N)CC1
MolPort-037-980-014 0.62 COC(=O)CCC1CCCCC1N
MolPort-046-203-274 0.62 Cl.CCOC(=O)C12CC(CN)(C1)OC21CCC1
MolPort-044-181-746 0.62 CCCCC[C@@H]1[C@@H](CC(=O)OCCC)CCC1=O
MolPort-011-510-162 0.62 CC(C)CC1(C)CC(=O)OC1=O
MolPort-023-278-564 0.62 COC(=O)C12CCC(N)(CC1)CC2
MolPort-044-832-015 0.62 Cl.COC(=O)C1CC11CCC(N)CC1
MolPort-028-796-866 0.62 CC1(C)C(CC1OC(=O)C1CCC1)OC(=O)C1CCC1
MolPort-001-789-955 0.62 CCOC(=O)CC1(O)CCCCC1
MolPort-003-824-851 0.62 CCOC(=O)[C@@H]1CCCC[C@@H]1O
MolPort-046-165-865 0.62 Cl.COC(=O)C12C3C4C1C1C2C3C41CN
MolPort-002-638-710 0.62 CCCCCCCC1CCCC(=O)O1
MolPort-002-512-892 0.61 CC(C)OC(=O)C1[C@H]2C[C@@](C)(CC1C)OC2=O
MolPort-002-083-676 0.61 CC(C)OC(=O)C1C2CC(C)(CC1C)OC2=O
MolPort-002-514-631 0.61 CC1C[C@]2(C)C[C@H](C1C(O)=O)C(=O)O2
MolPort-002-514-557 0.61 CC(C)[C@]12C[C@H](C(CC1)C(O)=O)C(=O)O2
MolPort-035-843-463 0.61 CC(C)(C)OCCOC(=O)C1CC2CCC(C1)C2=O
MolPort-003-182-759 0.61 CC(C)C12CC(C(CC1)C(O)=O)C(=O)O2
MolPort-003-179-187 0.61 CC(C)CCCC(C)OC(=O)C1C2CC(C)(CC1C)OC2=O
MolPort-000-702-964 0.61 CC1CC2(C)CC(C1C(O)=O)C(=O)O2
MolPort-001-739-563 0.61 CCCCCC(O)CC(O)CC(=O)OC(CC(O)CCCCC)CC(O)=O
MolPort-003-849-080 0.61 C[C@@]1(O)[C@H](O)[C@@H](CO)OC1=O
MolPort-035-706-005 0.61 C[C@H]1[C@@H](O)C[C@H]2[C@@H]1COC(=O)[C@@H]2CO
MolPort-019-937-130 0.61 C[C@H]1[C@@H](O)C[C@H]2[C@@H]1COC(=O)[C@H]2CO
MolPort-029-938-335 0.61 COC(=O)C1CC2CCC1O2
MolPort-035-706-350 0.61 CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H](CC[C@@]23C)[C@]2(C)CC[C@@H](O2)C(C)(C)O)[C@@]1(C)CCC(O)=O
MolPort-030-004-818 0.61 COC(=O)C1(C)CC2CCC1O2
MolPort-035-706-352 0.61 CC(=C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H](CC[C@@]23C)[C@]2(C)CC[C@H](O2)C(C)(C)O)[C@@]1(C)CCC(O)=O
MolPort-027-928-605 0.61 CCC(CCOC(=O)C(C)OCC1CC1)OC(=O)C(C)OCC1CC1
MolPort-044-721-399 0.61 CCCC(C)OC(=O)C1C2CC(C)(CC1C)OC2=O
MolPort-037-966-971 0.61 OC(=O)C1CC2CC1C(=O)O2
MolPort-006-827-789 0.61 CCOC(=O)C12CC1C1(CCCCC1)OC2=O
MolPort-001-983-371 0.61 CC1(C)CC2(CCO1)OC(=O)CC2C(O)=O
MolPort-042-604-204 0.61 Cl.COC(=O)COC(=O)C[C@@H](CN)CC(C)C
MolPort-046-647-083 0.61 Cl.COC(=O)C12CCC(CN)(CC1)OC2
MolPort-000-732-294 0.61 CCOC(=O)C1CC(=O)OC11CCOC(C)(C)C1
MolPort-042-604-197 0.61 Cl.COC(=O)C(C)OC(=O)C[C@@H](CN)CC(C)C
MolPort-005-952-886 0.61 C[C@H]1[C@@H]2CC[C@@]3(C)CC[C@H](NC(=O)CC(C)(C)C)[C@@H](C)[C@@H]3[C@H]2OC1=O
MolPort-019-936-602 0.61 C[C@H]1[C@@H]2CC[C@@]3(C)CC[C@H](NC(=O)C4CCCCC4)[C@@H](C)[C@@H]3[C@H]2OC1=O
MolPort-001-754-520 0.61 CCNC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CC(=O)O[C@@H]3CCC2[C@]1(C)CO
MolPort-006-170-525 0.61 Cl.CCOC(=O)[C@H]1[C@@H](N)[C@@H]2CC[C@H]1O2
MolPort-002-862-711 0.61 CC1(C)OC2(C)CCC1C(=O)OC2=O
MolPort-044-181-965 0.61 CCOC(=O)C12CCC(CC1)(CCC2)C#N
MolPort-042-621-246 0.61 Cl.CCOC(=O)C[C@@H](CN)CC(C)C
MolPort-014-449-450 0.61 CCCCC(N)C(=O)OC(C)(C)C
MolPort-042-683-755 0.61 Cl.COC(=O)[C@@H]1[C@H](N)[C@H]2CC[C@@H]1C2
MolPort-013-508-929 0.61 CCOC(=O)C(N)CC(C)CC
MolPort-046-675-105 0.61 CC(C)CC[C@@H](N)C(=O)OC(C)(C)C
MolPort-042-623-623 0.61 Cl.CC(C)C[C@H](CN)CC(=O)OC(C)(C)C
MolPort-002-801-260 0.61 CC(C)[C@@H]1CC[C@]2(CCOC(=O)CCC(O)=O)CC[C@]3(C)C(CCC4[C@@]5(C)CCC(OC(C)=O)C(C)(C)C5CC[C@@]34C)C12
MolPort-046-650-738 0.61 CCOC(=O)[C@@H]1C[C@H](N)C1(C)C
MolPort-046-736-343 0.61 CC1CC2CC(C1)C(=O)OC2=O
MolPort-001-917-579 0.61 O=C1CCCCCCCCCCOCCO1
MolPort-023-213-431 0.61 O=C1OC(=O)C2CCCC1C2
MolPort-031-460-544 0.61 CC(C)(C)CCC(N)C(=O)OC(C)(C)C
MolPort-046-674-299 0.61 Cl.COC(=O)C12CCC(CC1N)C2
MolPort-035-769-914 0.61 O=C1OC(=O)[C@@H]2CCC[C@H]1C2
MolPort-035-748-776 0.61 CCCC[C@H](N)C(=O)OC(C)(C)C
MolPort-002-319-719 0.61 O=C1CCCCCCCCC(=O)OCCO1
MolPort-038-947-234 0.61 CC(C)(C)OC(=O)[C@@H]1C[C@H](N)C1(C)C
MolPort-000-142-069 0.61 O=C1OC(=O)C2CCC12
MolPort-034-644-786 0.61 COC(C)COC1CCC(CC1)C(O)=O
MolPort-031-460-514 0.61 CC(C)CCC(N)C(=O)OC(C)(C)C
MolPort-042-621-225 0.61 CC(C)(C)OC(=O)CC(CN)C1CC1
MolPort-046-673-156 0.61 CCOC(=O)[C@H](N)CCC(C)C
MolPort-029-004-763 0.61 COC(=O)C12CC1CCC2N
MolPort-046-766-659 0.61 CC1(C)C[C@@H]2[C@H]1C(=O)OC2=O
MolPort-002-510-676 0.61 O=C1CCCCCCCC(=O)OCCO1
MolPort-046-763-183 0.61 CCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCC
MolPort-042-605-710 0.61 Cl.CC(C)C[C@H](CN)CC(=O)OC(C)C
MolPort-001-510-478 0.61 OC(=O)CCC(=O)OC1CC2CCC1C2
MolPort-001-782-212 0.61 CCOC(=O)CC1CCCO1
MolPort-002-171-572 0.61 O=C1CCCCCCCCCCC(=O)OCCO1
MolPort-003-941-181 0.61 CCCCCCCC(=O)OCCOC(=O)CCCCCCC
MolPort-006-137-049 0.61 CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C
MolPort-046-204-072 0.61 Cl.COC(=O)C12CCC(CC1N)C2(C)C
MolPort-002-911-153 0.61 CC(=O)OC1CCC2C3CC(O)[C@@]4(O)CC(CCC4(C)C3CCC12C)OC(C)=O
MolPort-046-202-894 0.61 Cl.COC(=O)C(N)C1CC2CCC1C2
MolPort-006-112-125 0.61 CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCC
MolPort-006-112-126 0.61 CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC
MolPort-044-755-239 0.61 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(C)=O
MolPort-044-723-569 0.61 CCCCCCC(O)CCCCCCCCCCC(=O)OCCOC
MolPort-001-917-574 0.61 O=C1CCCCCCCCCCCC(=O)OCCO1
MolPort-044-558-781 0.61 Cl.COC(=O)C12CCC(CN)(C1)CCC2
MolPort-046-510-505 0.61 Cl.COC(=O)C1(CN)CC2CCC1C2
MolPort-002-709-008 0.61 C[C@]12CCC3C(CCC4CCCC[C@]34C)C1CC[C@@H]2OC(=O)CCC(O)=O
MolPort-039-338-947 0.61 CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
MolPort-002-510-515 0.61 [Na+].C[C@]12CCC3C(CC[C@@H]4CC(=O)CC[C@]34C)C1CCC2C(=O)COC(=O)CCC([O-])=O
MolPort-002-507-140 0.61 [Na+].C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC([O-])=O
MolPort-042-556-649 0.61 O[C@H]1C[C@H]2O[C@@H]1C[C@H]2C(O)=O
MolPort-039-338-255 0.61 C[C@]12CCC[C@]3(OC1=O)[C@@H]2CC[C@@]12C[C@H](CC[C@]31C)C(=C)C2
MolPort-027-853-593 0.61 CC(=C)C1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)C[C@@H](OC(C)=O)[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(O)=O
MolPort-027-778-414 0.61 CCOC(=O)CC1(O)CCC2(CC1)OCCO2
MolPort-046-766-908 0.61 CCCCCOC(=O)CC(O)(CC(=O)OCCCCC)C(=O)OCCCCC
MolPort-029-996-251 0.61 [Na+].C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC([O-])=O
MolPort-023-242-170 0.61 O=C(OC1(CCC1)C#N)C1CC2CCC1C2
MolPort-046-658-806 0.61 CC(C)(C)OC(=O)C(N)CC1CCCOC1
MolPort-046-673-641 0.61 CC(C)(C)OC(=O)C1CCC2(CCNC2)CC1
MolPort-001-804-411 0.61 CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
MolPort-006-120-031 0.61 CC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12
MolPort-044-559-461 0.61 CCOC(=O)C1CC(O)CCO1
MolPort-001-741-107 0.61 C[C@@]12O[C@@H]1CC1C(C)(C)CCC[C@]1(C)[C@@]21CC[C@](C)(CC(O)=O)O1
MCULE-3459237905 0.61 C1(N(C)C)(CCCCC1)CC(=O)OCC
MCULE-3063155141 0.61 C1(N)(CC2CCC(O2)C1)C(OC)=O
MCULE-2397451250 0.61 [C@]123CC4(CC[C@]1(C)[C@@]1([H])CC[C@]5([C@@]([H])(CC[C@]5(O)C(C)=O)[C@@]1(C[C@@H]2O3)[H])C)OCCO4
MCULE-4945612741 0.61 CCC1C2(C(=O)OC(=O)C2)COC1
MCULE-6752701082 0.61 CC(C1C2(C(=O)OC(=O)C2)COC1)C
MCULE-7866984362 0.61 CC1C(C)C2(C(=O)OC(=O)C2)CO1
MCULE-7092891207 0.61 [C@@]123[C@H](OC(C)=O)CC4C(CC[C@]5(C)C(CCC54)[C@H](C)CCCC(C)C)[C@@]1(C)CC[C@H](OC(C)=O)[C@H]2O3
MCULE-6157408239 0.61 CCC1C(C(N)=O)(O)COC1
MCULE-7611129689 0.61 OC(C1OC2(CC(C3CC3)OC2)CC1)=O
MCULE-8953428868 0.61 CC(C1C(C(N)=O)(O)COC1)C
MCULE-4340837921 0.61 CCOC(C1CCC(NC2CCCC2)CC1)=O
MCULE-3518002106 0.61 CCOC(CC1(NC)CCCCC1)=O
MCULE-3453753880 0.61 C1(C(OC)=O)C(N)C2OC1CC2
MCULE-1535366901 0.61 [N+]12(CCCCCCCCCC[N+]34CCC[C@@]3([H])[C@@H](CC4)COC(=O)[C@](O)(C(C)C)[C@@H](C)O)CCC[C@@]1([H])[C@@H](CC2)COC(=O)[C@](O)(C(C)C)[C@@H](C)O
MCULE-6319370704 0.61 [C@@](O)(C(C)C)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@@]21[H]
MCULE-3323848720 0.61 [C@]12([H])CCCN1CC[C@H]2COC([C@](O)(C(C)C)[C@H](O)C)=O
MCULE-7077026909 0.61 [N+]12(CCCCCCCCCC[N+]34CCCC3CC(COC(=O)C(O)(C(C)C)C([H])(C)O)C4)CCCC1CC(COC(=O)C(O)(C(C)C)C([H])(C)O)C2
MCULE-8400765617 0.61 C1N2CCC(COC(C(O)(C(O)C)C(C)C)=O)C2([H])CC1
MCULE-8598300846 0.61 C1(=O)C2C(CCC(C2)(C(C)C)O1)C(O)=O
MCULE-6683538950 0.61 C12(CC(O)=O)CCC(OC1=O)(C)C2(C)C
MCULE-1086877828 0.61 C12(CC(OC)=O)CCC(OC1=O)(C)C2(C)C
MCULE-9492583040 0.61 O=C(O)[C@@H]1C[C@]2([H])C[C@]1(C(=O)O2)[H]
MCULE-5312483598 0.61 C1(O[C@H](CO)[C@@H](O)[C@@]1(C)O)=O
MCULE-3033847021 0.61 O1C(C(C)(C(C1CO)O)O)=O
MCULE-7670400752 0.61 CCC1OCC(C=O)(OC)C1
MCULE-1398410028 0.61 CCC(OC(C(OCC1CC1)C)=O)CCOC(C(OCC1CC1)C)=O
MCULE-5731491995 0.61 [C@]12([H])C[C@H](O)[C@H](C)[C@@]1([H])COC(=O)[C@@H]2CO
MCULE-2485583279 0.61 COC1(C=O)CC(C(C)C)OC1
MCULE-5959245878 0.61 C1(=O)OC2(CC1C(C(C2)C)C(=O)OC(C)C)C
MCULE-6585485753 0.61 C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@@H](C(O)(C)C)O4)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C
MCULE-7305159779 0.61 C1(=O)OC2(CC1C(C(O)=O)C(C2)C)C
MCULE-5675979662 0.61 COC(C1(C(C(C)C)COC1)O)=O
MCULE-5263023354 0.61 C1(=O)OC2(CC1C(C(C2)C)C(=O)OC(C)CCCC(C)C)C
MCULE-5354950182 0.61 C1CC(OC(=O)C)(C(OC)=O)CC1
MCULE-2764304664 0.61 [C@]12([H])C[C@]([H])([C@H](C(O)=O)C1)C(=O)O2
MCULE-2885715228 0.61 C(OC)(=O)C(CCCCCCCCCCCCC)OC(C)=O
MCULE-7584009022 0.61 CC(OCCOC(C1CC2C(=O)C(CC2)C1)=O)(C)C
MCULE-4936483893 0.61 [C@@]12(C)CC(O[C@]1([H])C[C@H](CC2=O)C(C)C)=O
MCULE-5264367717 0.61 C1(O[C@H](CO)[C@@H](O)[C@@]1(C)O)=O
MCULE-3144399505 0.61 [C@]12([H])C[C@H](O)[C@H](C)[C@@]1([H])COC(=O)[C@H]2CO
MCULE-9134508230 0.61 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CC5C4(C3CCC2(C1)[H])O5)C(OC)=O)OC(C)=O
MCULE-9794005437 0.61 C(C)(=O)OC1CCC2(C)C3CCC4(C)C(C(C)CCCC(C)C)CCC54C3(C(CC2(C1)[H])=O)O5
MCULE-7885201669 0.61 CCC1C(C(OC)=O)(O)COC1
MCULE-3205291903 0.61 O1C2C(CC1=O)C(C(OC)OC)CC2
MCULE-6058656470 0.61 C1(=O)OC2(CC1C(C(C2)C)C(=O)OC(C)CCC)C
MCULE-2224166753 0.61 CCCCCC(CC(O)CC(OC(CC(O)CCCCC)CC(=O)O)=O)O
MCULE-1685046032 0.61 C1(COC2CCCCC12)C(OC)=O
MCULE-6982983171 0.61 OC(C1OC(C2CC3C(C3)CC2)CC1)=O
MCULE-4878928430 0.61 C1(=O)OC2CC1C(C2)C(O)=O
MCULE-7890675494 0.61 C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]4(C)CC[C@H](C(O)(C)C)O4)CC[C@@]3(C)[C@]2(C)CC[C@@]1([H])C(=C)C
MCULE-4994815072 0.61 C123C(=O)OC4CCC5C4C1C1C4C2C2CCC(=O)C2C4C3(C(OC)=O)C51
MCULE-7657383071 0.61 COC(C1C2OC(CC2)C1)=O
MCULE-6598890943 0.61 C1C2C3OC(=O)C2C2C(=O)OC1C2C3
MCULE-9771201423 0.61 COC(C1(C(C)C(C)OC1)O)=O
MCULE-6628276574 0.61 C(C(CCCCCC(OC)=O)OC(C)=O)(OC)=O
MCULE-4780123483 0.61 C12(CCOC(C)(C)C1)OC(CC2C(OCC)=O)=O
MCULE-6698490702 0.61 C1(N)(CC2CCC(O2)C1)C(=O)OC(C)(C)C
MCULE-8222592837 0.61 CC1OCC2(C(=O)OC(=O)C2)CC1
MCULE-1524421815 0.61 C12(C(OCC)=O)CC1C1(OC2=O)CCCCC1
MCULE-9607234020 0.61 COC(COC(C[C@H](CC(C)C)CN)=O)=O.Cl
MCULE-5923836901 0.61 OC(C1(C2C(C#N)CCC2)OCCC1)=O
MCULE-3653730981 0.61 O=C1OC(=O)C2(CC(C3CC3)OC2)C1
MCULE-6440270733 0.61 COC(C(OC(C[C@H](CC(C)C)CN)=O)C)=O.Cl
MCULE-2561546037 0.61 C12(CCOC(C)(C)C1)OC(CC2C(O)=O)=O
MCULE-4123957133 0.61 C1(=O)C2CCC(OC2(C)C)(C)C(=O)O1
MCULE-9987328426 0.61 C1(C(OCC)=O)C(N)C2OC1CC2.Cl
MCULE-8095910128 0.61 C1[C@@H]([C@H]([C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]2(C1)C)C)NC(=O)CC(C)(C)C
MCULE-7190356293 0.61 C1[C@@H]([C@H]([C@@H]2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@]2(C1)C)C)NC(=O)C1CCCCC1
MCULE-2145597986 0.61 [C@H]1(CC[C@@]2(C([C@]1(C)CO)CC[C@@H]1[C@H]2CC(=O)O1)C)OC(NCC)=O
MCULE-4299591986 0.61 COC(C(CC1CCOCC1)CN)=O
MCULE-2512849530 0.61 C(O)(=O)C1(CCCCC1)OCCO
MCULE-7929526052 0.61 C(CCC(=O)OC1CCC2(C)C3CCC4(C)CCCC4C3CCC2(C1)[H])(OC)=O
MCULE-7576822640 0.61 Cl.CC(C[C@@H](CC(OC(C)C)=O)CN)C
MCULE-6204733294 0.61 [C@]12(C)CCC3C(CCC4CCCC[C@]34C)C1CC[C@@H]2OC(CCC(O)=O)=O
MCULE-4271996350 0.61 C1C(C)C(=O)OC1(C)CC(=O)C
MCULE-5709281545 0.61 C1(CCCCCCCCCCOCCO1)=O
MCULE-6396020476 0.61 NC(CCC(C)C)C(OC(C)(C)C)=O
MCULE-6908825525 0.61 C1(CCCCCCCCCCCC(=O)OCCO1)=O
MCULE-8459631060 0.61 N[C@@H]1C[C@@H](C(OC2CCCC2)=O)C1
MCULE-5403085036 0.61 C(OCC)(C(CCCC)N)=O
MCULE-2643803551 0.61 COC(C(C1CC2C(C2)C1)N)=O
MCULE-2280651727 0.61 O(C(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC
MCULE-6408928054 0.61 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(OC)CC(C4C3CCC2(C1)[H])OC(C)=O)OC(C)=O
MCULE-1788041304 0.61 CC(C(O)=O)(CC1OCCC1)O
MCULE-9570381244 0.61 O1C(=O)C2C(CC2)C1=O
MCULE-6659312326 0.61 C1(CCCCCCCC(=O)OCCO1)=O
MCULE-6084795087 0.61 C12(C)CCC3C(CCC4CCCCC34C)C1CCC2OC(CCC(O)=O)=O
MCULE-8287547839 0.61 C1(CCCCCCCCCCC(=O)OCCO1)=O
MCULE-8347422719 0.61 C1(=O)OC(=O)C2CCCC1C2
MCULE-6740444641 0.61 C(C)(=O)OC1CCC2(C)C3CCC4(COC(C)=O)CC(CC4C3C(CC2(C1)[H])=O)OC(C)=O
MCULE-5205692433 0.61 COC(C(C1C2C(C2)CC1)N)=O
MCULE-3450105180 0.61 C1(CC2CC1CC2)OC(CCC(O)=O)=O
MCULE-6422962356 0.61 O=C(CC1CCCO1)OCC
MCULE-5591984908 0.61 C12(C)CCC3(CC1(CCC(OC)=O)OCC23C)[H]
MCULE-2458588682 0.61 C12(C)CCC(CC(N)(C(OC)=O)C1)C2(C)C
MCULE-6940092571 0.61 [C@@]12(C)CC[C@@]3(C([C@H](C(C)C)CC3)C1CCC1[C@@]2(C)CCC2[C@]1(C)CCC(OC(C)=O)C2(C)C)CCOC(CCC(O)=O)=O
MCULE-7847637268 0.61 CC1(C(=O)OC(=O)C1)CC1COCC1
MCULE-2457764782 0.61 COC(CC1(CC2CC(CC2)C1)N)=O
MCULE-2121862276 0.61 COC(C1(CC2CC(CC2)C1)N)=O
MCULE-5948810821 0.61 C(OCC(C)C)(=O)C1CCCCC1C(OCC(C)C)=O
MCULE-2545052027 0.61 CCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCC
MCULE-2567074202 0.61 Cl.COC(C12CC(CC1N)CC2)=O
MCULE-1342313630 0.61 [H]C12CCCCC1(C)C1CCC3(C)C(C(CC3C1CC2)OC(C)=O)C(C)=O
MCULE-6639168304 0.61 CC1OCC(C2(CCCC2)CN)(O)C1
MCULE-5473523975 0.61 C(=O)(C(N)CC(C)(C)C(C)(C)C)OC(C)(C)C
MCULE-7434516207 0.61 C12CC([C@@]3(O)CC(CCC3(C)C1CCC1(C)C(CCC21)OC(=O)C)OC(=O)C)O
MCULE-1252766238 0.61 C1(CC(C1(C)C)N)C(=O)OC(C)(C)C
MCULE-1814672416 0.61 C(=O)(C(N)CC(C)(C)C(C)C)OC(C)(C)C
MCULE-5370567316 0.61 C(=O)(C(N)CC(C)(C)CC)OC(C)(C)C
MCULE-1315686061 0.61 COC(C(C1CC2CC(CC2)C1)N)=O
MCULE-8597536265 0.61 CCCCCCC(CCCCCCCCCCC(=O)OCCOC)O
MCULE-5372309426 0.61 C1(CCCCCCCCC(=O)OCCO1)=O
MCULE-9164291298 0.61 N[C@@H]1C[C@H](C(OC2CCCC2)=O)C1
MCULE-9835948088 0.61 C1C(C)C(=O)OC1CC(=O)C
MCULE-1667904199 0.61 NC1CC(C(OC2CCCC2)=O)C1
MCULE-1020146624 0.61 C(C)(O)(C(O)C)C(OC1CCC2(C)C34CC5C6CN7C(CCC(C)C7)C(C)(O)C6C(O)C(C5(O)C3C(C(C2C1(O)CO4)OC(C)=O)OC(C)=O)OC(C(C)CC)=O)=O
MCULE-4070572972 0.61 C1(CCCCC1N(=O)=O)C(C)(C)CC(=O)OCC
MCULE-7816788663 0.61 CC(C1OCC2(OC(C=O)CC2)C1)C
MCULE-4315952576 0.61 [C@]12(CC[C@@](CC(=O)O)(C)O1)[C@]1(C)O[C@@H]1CC1[C@@]2(CCCC1(C)C)C
MCULE-7531631997 0.61 CC(C1C2(OCCC(=O)C2)COC1)C
MCULE-4024905681 0.61 COC(C1(COC(C)CC1)O)=O
MCULE-7971382591 0.61 CCCC1C2(OCCC(=O)C2)COC1
MCULE-6640428916 0.61 CC(C[C@@H](CC(OCC(C)=C)=O)CN)C
MCULE-6862316491 0.61 CC(C[C@@H](CC(OCCCC=C)=O)CN)C
MCULE-6551696049 0.61 CC1C(C)C2(OC(C=O)(C)CC2)CO1
MCULE-9418650075 0.61 CC1C2(OC(C=O)CC2)COC1
MCULE-5672410560 0.61 CC(C[C@@H](CC(OCCCC#C)=O)CN)C
MCULE-1185168922 0.61 CCCC1C2(OC(C=O)(C)CC2)COC1
MCULE-7012034413 0.61 C(OCC)(CC1CCC2(CC1)CCNCC2)=O
MCULE-5984426924 0.61 CC(C1OCC2(OC(C=O)(C)CC2)C1)C
MCULE-2939084586 0.61 CCC1C2(OCCC(=O)C2)COC1
MCULE-4836115241 0.61 C1(C(OCC)=O)OC21CCCCCC2C
MCULE-6619078855 0.61 CCC1OCC2(OC(C=O)(C)CC2)C1
MCULE-9843633999 0.61 CCCC1C2(OC(C=O)CC2)COC1
MCULE-9218141999 0.61 CC(C1C2(OC(C=O)(C)CC2)COC1)C
MCULE-3468006574 0.61 CC(C1C2(OC(C=O)CC2)COC1)C
MCULE-9804728228 0.61 CCC1C2(OC(C=O)(C)CC2)COC1
MCULE-7392015266 0.61 CCC1C2(OC(C=O)CC2)COC1
MCULE-6045410808 0.61 CC1C(C)C2(OC(C=O)CC2)CO1
MCULE-3269337372 0.61 C(CC(O)(CC(OCCCC)=O)C(OCCCC)=O)(OCCCC)=O
MCULE-8654407575 0.61 [Na+].[C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(=O)COC(CCC(=O)[O-])=O)[H]
MCULE-1111190648 0.61 CCOC(C1OCCC(O)C1)=O
MCULE-8473609615 0.61 CC1CC(NCCCCCC(OC(C)(C)C)=O)CCC1
MCULE-3927219141 0.61 CCC1OCC2(OC(C=O)CC2)C1
MCULE-7504722867 0.61 CC1OCC2(OC(C=O)CC2)C1
MCULE-2865011024 0.61 CC1OCC2(OC(C=O)(C)CC2)C1
MCULE-4344954004 0.61 CC1C2(OC(C=O)(C)CC2)COC1
MCULE-2645803658 0.61 O=CC1OC2(CC(C3CC3)OC2)CCC1
MCULE-3119996999 0.61 O1C2(CCCC2C(OCC)=O)OCC1
MCULE-8028301103 0.61 C(C)(=O)OC1CCC2(C)C3C(CCC2(C1)[H])C1CC2C(C1(C)CC3=O)(O2)C(C)=O
MCULE-6494115154 0.61 CCC1OCC2(OCCC(=O)C2)C1
MCULE-9936177930 0.61 CC(C1OCC2(OCCC(=O)C2)C1)C
MCULE-7340929232 0.61 O=C(COC(CCC(=O)[O-])=O)[C@H]1CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CCC(C[C@@]3([H])CC[C@@]21[H])=O.[Na+]
MCULE-9781176852 0.61 CC1C(C)C2(OCCC(=O)C2)CO1
MCULE-4744045719 0.61 CC1OCC2(OCCC(=O)C2)C1
MCULE-7463104775 0.61 C12(CCC(CC1)(O)CC(OCC)=O)OCCO2
MCULE-2844511693 0.61 O=C(C(C)(C)CCC(N(=O)=O)C)OCCCCC
MCULE-5451010520 0.61 [C@@]12([H])[C@H](CO[C@]1([H])[C@@H](CO2)O)OC(C)=O
MCULE-4818311755 0.61 O=C(C(C)CCC(N(=O)=O)C)OCCCCC
MCULE-1774929494 0.61 [C@@H]1(C(O)=O)C[C@H]2O[C@@H]1C[C@@H]2O
MCULE-7366695737 0.61 O=C(C1C2CC(CC2)C1)OC1(C#N)CCC1
MCULE-4096346816 0.61 O=C(OCC)C1(CCC2(OCCO2)CC1)CO
MCULE-1079268525 0.61 [C@@]12([H])[C@H](CO[C@]1([H])[C@@H](CO2)O)OC(C)=O
MCULE-2977512032 0.61 C(NN)(=O)C(CCC(NN)=O)CC(COCCCC)O
MCULE-7109723451 0.61 CCCCCCCCCCC(C(=O)OC1CCCCC1)[N+](C)(C)C
MCULE-7868573049 0.61 C1(COC2CCCC(N)C12)C(O)=O
MCULE-9787588778 0.61 C([C@]12CC[C@@H](C(=C)C)[C@]1([H])[C@@]1([H])CC[C@]3([H])[C@]4(CC[C@H](OC(=O)C)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC2)C)(=O)OCC(N)(CO)CO
MCULE-1283217887 0.61 C(NN)(=O)C(CCC(NN)=O)CC(COCC(C)C)O
MCULE-5143567317 0.61 [C@]12(C)CC[C@@H]3[C@@](C)(COC(C)(C)O3)C1CC[C@@H](C)[C@@]12CC[C@]2(COC(=O)C2)O1
MCULE-6684105738 0.61 C12(C)CCC3C(C)(COC(C)(C)O3)C1CCC(C)C12CCC2(COC(=O)C2)O1
MCULE-9259214707 0.61 C1C[C@]2(C)[C@@]3([H])[C@@H]4O[C@@H]4[C@]45OC(=O)[C@@]6(CCC(=C)C[C@]64[H])CC[C@@]5(C)[C@]3(C)CC[C@@]2([H])[C@@](CO)(C)[C@H]1O
MCULE-6794200020 0.61 C12(CC(OC1=O)COCC(C)C)CC(OC2=O)(C)C(C)=O
MCULE-4831133913 0.61 C123C(O)CC(C(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O)O
MCULE-6969824787 0.61 O=C1C2(CCC2)CCO1
MCULE-7393765758 0.61 CCOC(C12CCCC1C2)=O
MCULE-6675265153 0.61 CCOC([C@H]1C[C@@H]2[C@@H](C2)C1)=O
MCULE-5833366967 0.61 Cl.O=C(CCCCCCCCCCN)OC
MCULE-6347512502 0.61 COC(CC[C@@H]1C[C@H](N)C1)=O
MCULE-3051096014 0.61 C1(CCCCCO1)=O
MCULE-8762038652 0.61 [C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(C)=O)C1C[C@@H](O)[C@]2(O)C(C)O
MCULE-4005027001 0.61 CC(CCC(OC(CC(O)(C)C)C)=O)C
MCULE-6163029070 0.61 [C@@]12(C)[C@@H]([C@H](C)CCC(OCC)=O)CC[C@@]1([H])[C@]1([C@@]([H])([C@@]3(C)CC[C@H](CC3C[C@H]1O)O)C[C@@H]2O)[H]
MCULE-7552954472 0.61 Cl.COC(CCCCCCN)=O
MCULE-6460421950 0.61 Cl.C(CCCCCCCCCCCN)(OC)=O
MCULE-3268660020 0.61 CC(OC(C12CCCC1C2)=O)C
MCULE-6466268295 0.61 CCCCCCCCCCCC(=O)OC(C)=O
MCULE-5503686893 0.61 CCC(C(OCCC(OC(C(CC)C)=O)CC)=O)C
MCULE-9893610584 0.61 C(OCC)(C1CCC2(C)C(C1)CC(C1C2CC(O)C2(C)C(C(C)CCC(OC)=O)CCC21)=O)=O
MCULE-3963986765 0.61 CC(OC(C12CCCC1C2)=O)(C)C
MCULE-1068406209 0.61 CCOC(C1CC2CC2C1)=O
MCULE-5692626711 0.61 Cl.COC(CCCCCCCCCN)=O
MCULE-5266446188 0.61 COC(CCCCCCCN)=O.Cl
MCULE-5972596306 0.61 CC(OC([C@H]1C[C@@H]2[C@@H](C2)C1)=O)(C)C
MCULE-3635515537 0.61 C1(O)CCC2(C)C3([H])CC(O)C4(C)C([H])(C(CCC(=O)OCC)C)CCC4([H])C3([H])C(O)CC2([H])C1
MCULE-7454997667 0.61 O(C(=O)CCCCC)C(=O)CCCCC
MCULE-1445258446 0.61 CC(OC([C@H]1C[C@@H]2[C@@H](C2)C1)=O)C
MCULE-2664203800 0.61 [H]C12CCCCC1(C)C1CC(C3(C)C(C(C)CCC(OCC)=O)CCC3C1C(C2)=O)=O
MCULE-5468788020 0.61 [C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CC
MCULE-4898919253 0.61 CC(C(OC1CCCCC1)=O)OCC1CC1
MCULE-7663378947 0.61 CCOC(C1CC(N)CC1)=O.Cl
MCULE-6240430520 0.61 CC(C(C#N)(C)C)OC(CC1C2CC(CC2)C1)=O
MCULE-9926848511 0.61 CCOC1C(CC)(CC)C(OC(C2CCOCC2)=O)C1
MCULE-3859671502 0.61 C1(=O)C(CC(CCCCC)O1)CC(O)=O
MCULE-6970752089 0.61 N[C@@H]1C[C@@H](C(OC2CCOCC2)=O)C1
MCULE-9832766223 0.61 C12C3C4C(C(OC)=O)C(C(OC)=O)C1C1C4C1C23COC(C)=O
MCULE-7005569491 0.61 N[C@@H]1C[C@H](C(OC2CCOCC2)=O)C1
MCULE-1495755862 0.61 CC(OC([C@H]1C[C@@H](N)CC1)=O)(C)C.Cl
MCULE-7470701115 0.61 CCC(C1(C(C)COC1)O)C(O)=O
MCULE-3847914782 0.61 Cl[H].[H][C@@](C(OCC)=O)(CCCCN)N
MCULE-7134418167 0.61 CC(C(C1(C(C)COC1)O)C(O)=O)C
MCULE-8201626428 0.61 CC1CC(C(O)=O)(C2C(O)COC2)C1
MCULE-1602245996 0.61 C12C3C(C(OC)=O)C(C(OC)=O)C4C5C(COC(=O)C)(C1(COC(=O)C)C24)C35
MCULE-1348616325 0.61 O=C(C12CC3CC(C1)CC(C3)C2)COC(C1CC2C(=O)C(CCC2)C1)=O
MCULE-7329065919 0.61 CC(C1OCC(C(C(O)=O)(O)C)C1)C
MCULE-4897482413 0.61 CC(C(C1(CC(C)OC1)O)C(O)=O)C
MCULE-6361775471 0.61 CCC1OCC(C(C(O)=O)O)C1
MCULE-1067418427 0.61 CCC1OCC(C(C(O)=O)(O)C)C1
MCULE-7207725681 0.61 [H]Cl.[H]Cl.C(=O)(OCC)C(N)CCCCN
MCULE-9084456323 0.61 N#CCC(CCC(C)=O)C(C)(C)OC(C)=O
MCULE-5020895332 0.61 O1C[C@@H]1COC(=O)CCCC
MCULE-1818096073 0.61 [H]Cl.[H]Cl.C(OCC)(=O)[C@H](CCCCN)N
MCULE-6784052563 0.61 Cl.Cl.C(N)(CCCCN)C(=O)OCC
MCULE-8391403973 0.61 COCCC1(C(OC2CCOCC2)=O)CCC1
MCULE-5713269112 0.61 Cl.Cl.[C@H](N)(CCCCN)C(=O)OCC
MCULE-1501570498 0.61 CC1C2(OC(C(O)=O)CC2)CCCCC1
MCULE-2459520793 0.61 COC(C(C1CC(C)OC1)O)=O
MCULE-7775346498 0.61 COC(C(C1(CC(C)OC1)O)C)=O
MCULE-4339078182 0.61 CCC(C1(CC(C)OC1)O)C(O)=O
MCULE-6138871119 0.61 CC(C1OCC(C(C(O)=O)O)C1)C
MCULE-4554302256 0.61 CCOC1CCC(C(N)=O)(O)CC1
MCULE-6778865519 0.61 CCOC1CCC(C(O)=O)(N)CC1
MCULE-2590293942 0.61 CC(C(C(O)=O)(C1C(C)C(C)OC1)O)C
MCULE-7805866044 0.61 C(OCC)(C(C#N)C1CC2CC1CC2)=O
MCULE-2190605238 0.61 CCC(C(O)=O)(C1C(C)C(C)OC1)O
MCULE-3070784591 0.61 CC(C[C@@H](CC(OCCCC(N(C)C)=O)=O)CN)C
MCULE-9879388804 0.61 CCC(COC(C[C@H](CC(C)C)CN)=O)=C.Cl
MolPort-046-417-660 0.61 CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@@H](CC[C@@]4(CC[C@@]32C)C(=O)OCC(N)(CO)CO)C(C)=C)C1(C)C
MolPort-044-432-462 0.61 COC(=O)[C@@H]1C[C@H]2O[C@@H]1[C@H]1O[C@@H]21
MolPort-002-537-025 0.61 CC(C)COCC(O)CC(CCC(=O)NN)C(=O)NN
MolPort-001-925-173 0.61 CCCCOCC(O)CC(CCC(=O)NN)C(=O)NN
MolPort-046-673-570 0.61 CCOC(=O)C1CCC(O1)C1CCNCC1
MolPort-000-731-552 0.61 CC(C)COCC1CC2(CC(C)(OC2=O)C(C)=O)C(=O)O1
MolPort-002-512-368 0.61 CC(C)COCC1C[C@]2(CC(C)(OC2=O)C(C)=O)C(=O)O1
MolPort-002-529-821 0.61 C[C@@H]1CCC2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@@]11CC[C@]2(COC(=O)C2)O1
MolPort-038-386-084 0.61 CC12C3C(C(O)=O)C45CC(CCC4C3(OC1=O)C(O)CC2O)C(=C)C5
MolPort-007-980-935 0.61 C[C@@H]1CCC2[C@]3(C)COC(C)(C)O[C@H]3CC[C@]2(C)[C@@]11CCC2(COC(=O)C2)O1
MolPort-039-338-405 0.61 C[C@@]1(CO)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@@H]2O[C@@H]2[C@]23OC(=O)[C@@]4(CCC(=C)C[C@@H]24)CC[C@@]13C
MolPort-046-596-407 0.61 C[C@@H]1CCC2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@@]11CCC2(COC(=O)C2)O1
MolPort-046-677-591 0.61 CC(C)(C)OC(=O)C1CCC(O1)C1CCNCC1
MolPort-001-780-221 0.61 CCCCCC(=O)OC(=O)CCCCC
MolPort-046-649-804 0.61 COC(=O)CC[C@@H]1C[C@H](N)C1(C)C
MolPort-039-310-472 0.61 CC(C)CCC(=O)OC(C)CC(C)(C)O
MolPort-046-142-135 0.61 Cl.COC(=O)CCCCCCCCCN
MolPort-028-805-133 0.61 O=C1OCCC11CCC1
MolPort-023-152-169 0.61 Cl.COC(=O)CCCCCCCN
MolPort-046-069-122 0.61 Cl.COC(=O)CCCCCCCCCCN
MolPort-003-986-534 0.61 Cl.COC(=O)CCCCCCN
MolPort-023-385-517 0.61 CCOC(=O)C1CC2CC2C1
MolPort-046-701-018 0.61 Cl.COC(=O)C1CCCC(N)CCC1
MolPort-046-424-009 0.61 CCOC(=O)CCC(C)C1CC[C@H]2C3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-001-787-811 0.61 O=C1CCCCCO1
MolPort-027-928-604 0.61 CCC(C)C(=O)OCCC(CC)OC(=O)C(C)CC
MolPort-044-729-279 0.61 COC(=O)C1(CCCCN)CCC1
MolPort-002-511-864 0.61 CC(O)[C@@]1(O)[C@H](O)CC2C3CC[C@H]4CC(CC[C@]4(C)C3CC[C@]12C)OC(C)=O
MolPort-046-674-204 0.61 I.COC(=O)CCCCCCN
MolPort-002-530-241 0.61 CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
MolPort-002-523-461 0.61 CC[N+](C)(C)CC1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
MolPort-002-508-460 0.61 CCCCCC1CC(CC(O)=O)C(=O)O1
MolPort-046-472-511 0.61 OC(=O)C12CCC(CO1)C2
MolPort-046-510-654 0.61 CC(C)(C)OC(=O)[C@]12C[C@H]1[C@H](N)C2
MolPort-035-429-406 0.61 CC(OCC1CC1)C(=O)OC1CCCCC1
MolPort-003-937-839 0.61 Cl.Cl.CCOC(=O)[C@@H](N)CCCCN
MolPort-046-687-604 0.61 CC12CCC(C1)(OC2)C(O)=O
MolPort-027-902-929 0.61 CCOC1CC(OC(=O)C2CCOCC2)C1(CC)CC
MolPort-027-721-107 0.61 Cl.CCOC(=O)[C@@H]1CC[C@H](N)C1
MolPort-044-831-842 0.61 OC(=O)C(O)=O.COC(=O)[C@@]1(O)CCC[C@H]1N
MolPort-046-675-818 0.61 CC(C)(C)OC(=O)[C@]12C[C@H]1[C@@H](N)C2
MolPort-039-286-162 0.61 Cl.CC(C)(C)OC(=O)[C@@H]1CC[C@H](N)C1
MolPort-039-290-065 0.61 CCC1(CCC(O)CC1)C(=O)OCC(=O)C(C)(C)C
MolPort-046-766-873 0.61 Cl.COC(=O)C(N)C1(CCCC1)OC
MolPort-044-831-815 0.61 OC(=O)C(O)=O.COC(=O)C1(O)CCCC1N
MolPort-006-126-653 0.61 Cl.CCOC(=O)[C@@H](N)CCCCN
MolPort-042-622-869 0.61 Cl.CCOC(=O)CCCCCNC
MolPort-023-232-432 0.61 Cl.CCOC(=O)C1CCC(N)C1
MolPort-027-919-695 0.61 CC(OC(=O)CC1CC2CCC1C2)C(C)(C)C#N
MolPort-004-062-839 0.61 O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)C1CC2CCCC(C1)C2=O
MolPort-002-527-848 0.61 CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H]4O[C@@]44CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5
MolPort-042-604-234 0.61 Cl.CCC(=C)COC(=O)C[C@@H](CN)CC(C)C
MolPort-020-917-724 0.61 CCOC(=O)C(N)CC1CCCCO1
MolPort-046-665-932 0.61 CC(C)(C)OC(=O)[C@]1(N)CC[C@H]2[C@@H]([C@@H]12)C(O)=O
MolPort-046-665-933 0.61 CCOC(=O)[C@]1(N)CC[C@H]2[C@@H]([C@@H]12)C(O)=O
MolPort-046-596-246 0.61 CC(=O)[C@@]1(O)CCC2C3C[C@@H]4O[C@@]44CC5(CC[C@]4(C)C3CC[C@]12C)OCCO5
MolPort-046-673-925 0.61 CCOC(=O)C12CCC(CN)(C1)OC2
MolPort-046-672-371 0.61 CC(C)(C)OC(=O)C12CCC(CN)(C1)OC2
MolPort-035-705-385 0.61 CC(C)[C@](O)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@H]12
MolPort-004-952-402 0.61 CC(C)C(O)(C(C)O)C(=O)OC[C@@H]1CCN2CCC[C@@H]12
MolPort-046-153-842 0.61 CC(C)C(O)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@H]12
MolPort-044-649-721 0.61 CCCC(=O)OC[C@]1(C)[C@@H](OC(=O)CCC)[C@@H](C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](F)[C@]23OC(=O)[C@@]4(CC[C@@H](C)[C@H](C)[C@@H]24)CC[C@@]13C)OC(=O)CCC
MolPort-046-598-017 0.61 CC(C)C(O)(C(C)O)C(=O)OCC1CC2CCC[N+]2(CCCCCCCCCC[N+]23CCCC2CC(COC(=O)C(O)(C(C)C)C(C)O)C3)C1
MolPort-046-674-984 0.60 Cl.COC(=O)C1CC2CCC1CC2N
MolPort-046-790-680 0.60 Cl.COC(=O)CC12CC3CC(CC(N)(C3)C1)C2
MolPort-002-029-602 0.60 COC(=O)C1(N)CCCCC1
MolPort-000-001-034 0.60 COC(=O)[C@@H](N)CC1CCCC1
MolPort-023-331-220 0.60 Cl.COC(=O)[C@]12CC3CC(C1)[C@@H](N)[C@@H](C3)C2
MolPort-045-901-948 0.60 CC(C)COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OCC(C)C
MolPort-013-281-942 0.60 COC(=O)C1(N)CCC(C)CC1
MolPort-046-069-882 0.60 NC(=O)C1CC1C1CCOCC1
MolPort-023-332-583 0.60 Cl.COC(=O)C12CCC(N)(CC1)CC2
MolPort-024-169-915 0.60 O=C1CC2(CCC2)C(=O)O1
MolPort-009-685-196 0.60 COC(=O)C12CC3CC(CC(N)(C3)C1)C2
MolPort-025-931-483 0.60 COC(=O)C1(N)CCCC1(C)C
MolPort-006-827-337 0.60 OC(=O)CCC1CCOC1=O
MolPort-006-013-062 0.60 COC(=O)C1CCCCC1N
MolPort-004-781-226 0.60 COC(=O)[C@@H]1CCC[C@]1(C)N
MolPort-028-446-826 0.60 CCC1CCCCC1OC(=O)CCCOC
MolPort-044-729-995 0.60 Cl.COC(=O)C[C@@H]1CC[C@H](N)C1
MolPort-029-255-682 0.60 COC(=O)CC(N)C12CC3CC(CC(C3)C1)C2
MolPort-028-961-476 0.60 COC(=O)[C@@H](N)C1CCCC1
MolPort-028-446-827 0.60 CCOCCCC(=O)OC1CCCCC1CC
MolPort-028-959-708 0.60 Cl.COC(=O)[C@@H]1CC[C@H](N)CC1
MolPort-003-714-048 0.60 COC(=O)C(N)C12CC3CC(CC(C3)C1)C2
MolPort-013-281-889 0.60 CCC1CCC(N)(CC1)C(=O)OC
MolPort-011-891-967 0.60 CCC(OC1CCCC(C)C1)C(O)=O
MolPort-013-566-515 0.60 COC(=O)CC(N)C1CCCC1
MolPort-016-636-438 0.60 Cl.COC(=O)C1CCC(N)CC1
MolPort-046-649-789 0.60 COC(=O)[C@](C)(N)C1CCCCC1
MolPort-035-836-029 0.60 COCCCC(=O)OC1CCC2CCCCC2C1
MolPort-014-143-811 0.60 COC(=O)CC1(CN)CCCCC1
MolPort-023-279-008 0.60 C[C@@]1(O)[C@H](O)COC1=O
MolPort-046-654-494 0.60 COC(=O)[C@@H]1CCC[C@@H]1CN
MolPort-014-771-766 0.60 COC(=O)C1(N)C2CC3CC(C2)CC1C3
MolPort-002-499-497 0.60 COC(=O)CC1(N)CCCCC1
MolPort-016-965-518 0.60 Cl.COC(=O)[C@H]1CC[C@H](N)CC1
MolPort-014-981-844 0.60 COC(=O)C1CCCC(N)C1
MolPort-013-566-535 0.60 COC(=O)C(CN)CC1CCCC1
MolPort-042-623-149 0.60 COC(=O)[C@]1(N)CC[C@H](C)CC1
MolPort-035-771-804 0.60 COC(=O)[C@H](N)C1CCCC1
MolPort-021-795-051 0.60 N[C@@H](CCCC1OCCO1)C(O)=O
MolPort-028-384-367 0.60 CCOC(=O)COC(=O)CC1CCCC1
MolPort-003-983-030 0.60 N[C@@H](CCC(=O)OC1CCCCC1)C(O)=O
MolPort-004-329-285 0.60 NC(CC1CCCO1)C(O)=O
MolPort-042-622-136 0.60 CCOC(=O)CCCCCCCN=C=O
MolPort-044-561-314 0.60 CCCCCCCCOC(=O)CC[C@H](N)C(O)=O
MolPort-044-561-313 0.60 CCCCCCCCOC(=O)CC[C@@H](N)C(O)=O
MolPort-023-306-367 0.60 CN(C)CCCOC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-039-339-094 0.60 CC(=O)O[C@@H]1C[C@]23C[C@@](C)(O)[C@H](CC[C@H]2[C@@](C)(O)[C@@H]2[C@@H]4O[C@@H]4C(C)(C)[C@@]12O)[C@H]3O
MolPort-002-158-076 0.60 CCOC(=O)C(O)(CCC(O)(C(=O)OCC)C(=O)OCC)C(=O)OCC
MolPort-042-672-189 0.60 OC(=O)C(O)=O.NCCC1CCCCC11OCCO1
MolPort-002-940-116 0.60 CC(=O)CC(=O)OC1(CCCCC1)C1(CCCCC1)OC(=O)CC(C)=O
MolPort-038-950-119 0.60 COC(=O)C1C2CCC(O2)C1C(O)=O
MolPort-002-549-718 0.60 C[N+](C)(C)CCCOC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-038-974-156 0.60 CC(C)(CC(=O)OCCC1CCCCO1)C#N
MolPort-030-033-053 0.60 COC(=O)COC(=O)C1(C)CCCCC1
MolPort-030-013-905 0.60 COC(=O)C1CCCC1C(=O)OCCOC(C)C
MolPort-046-655-099 0.60 CCOC(=O)C(N)C1(CCC1)OC
MolPort-029-938-984 0.60 CCOC(=O)CC1CCCCC11OCCO1
MolPort-035-706-093 0.60 O[C@@H]1CC(=O)C[C@H]2OCC[C@@]12O
MolPort-046-647-155 0.60 COC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(O)=O
MolPort-035-784-314 0.60 OC[C@@H]1C[C@](O)(CO)C(=O)O1
MolPort-003-801-805 0.60 COC(=O)[C@H]1[C@]2(C)CC[C@@H](O2)[C@@]1(C)C(=O)OC
MolPort-046-657-312 0.60 COC1(CCC1)C(N)C(=O)OC(C)(C)C
MolPort-002-501-698 0.60 O=C1OC(=O)C2C1CC1C2C(=O)OC1=O
MolPort-002-718-207 0.60 CCCOC(=O)CCCCCCCCC(O)CN1CCCCC1
MolPort-046-676-572 0.60 CC(C)(C)OC(=O)[C@@H]1C[C@H](N)[C@@H](O)[C@H]1O
MolPort-039-140-600 0.60 CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)[C@H]1OC[C@H](O)[C@H]1O
MolPort-000-846-261 0.60 CCOC(=O)C1C(C(=O)OCC)C2(CCOC(C)(C)C2)OC1=O
MolPort-046-675-150 0.60 CCOC(=O)[C@@H]1C[C@H](N)[C@@H](O)[C@H]1O
MolPort-020-956-628 0.60 OC(=O)CC1(O)CCCOC1
MolPort-038-948-927 0.60 Cl.CCOC(=O)CC1CCC2(CCNCC2)CC1
MolPort-042-604-424 0.60 CC(C)(C)OC(=O)C1(CC2CCC1C2)C(O)=O
MolPort-023-314-303 0.60 CCOC(=O)C12CCC(CC1)CC2
MolPort-042-620-814 0.60 CCOC(=O)C(N)CC1(CCC1)OC
MolPort-035-706-002 0.60 C[C@H]1[C@@H](O)C[C@@H]2CC(=O)OC[C@H]12
MolPort-042-605-888 0.60 CC(C)(C)OC(=O)C1CCC(CC1)C(O)=O
MolPort-035-741-889 0.60 O=C(COC1CCCCC1)OC1CCCCCCC1
MolPort-023-279-254 0.60 CCOC(=O)[C@H]1CC[C@H](CO)CC1
MolPort-035-706-003 0.60 C[C@H]1[C@H](C[C@@H]2CC(=O)OC[C@H]12)OC(C)=O
MolPort-023-330-901 0.60 CCOC(=O)C12CCC(CC1)(CC2)C(=O)OCC
MolPort-038-386-575 0.60 C[C@@H]1C2C(=O)O[C@@H]3[C@H](O)C4C(=C)C[C@H](O)[C@@H](O)[C@]4(C)C([C@@H](O)[C@@H]1O)[C@]23C
MolPort-035-706-204 0.60 C[C@@H]1[C@@H]2CC[C@@H](C)[C@@H]3CCC(=C)[C@@H](O)[C@@]23OC1=O
MolPort-023-279-357 0.60 CCOC(=O)[C@H]1CC[C@@H](CC1)C(O)=O
MolPort-046-773-952 0.60 Cl.COC(=O)C(N)C1CC2CC2C1
MolPort-030-082-579 0.60 COC(=O)C1C(C(=O)OC)C2(C)OC1(C)C1OC21
MolPort-029-937-778 0.60 CC(C)OCCOC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C
MolPort-039-239-525 0.60 CCOC(=O)C1CCC(CC(O)=O)CC1
MolPort-028-766-789 0.60 CCOC(=O)C1(C)CCCCC1
MolPort-028-765-719 0.60 CCOC(=O)C(C)CC1CCCCC1
MolPort-028-748-812 0.60 COC(=O)CCCCCOC(C)=O
MolPort-020-664-267 0.60 CC(C)(C)OC(=O)C1CCCCC1
MolPort-028-748-180 0.60 CCOC(=O)C1CCC(CO)CC1
MolPort-000-778-720 0.60 [I-].CC[N+](C)(C)CC1C2CC[C@@H](C)C3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
MolPort-029-880-361 0.60 COC(=O)C12CCC(N)(CC1)C2
MolPort-030-004-928 0.60 CCOC(=O)CC(C)C1CCCCC1
MolPort-046-790-970 0.60 Cl.CCOC(=O)C1CCCCC1C1CCNCC1
MolPort-027-950-352 0.60 COC(=O)CC1CCC2(CC1)OCCO2
MolPort-027-835-817 0.60 CCOC(=O)CC1CCC(=O)CC1
MolPort-042-604-208 0.60 Cl.CC(C)C[C@H](CN)CC(=O)OCC(C)=C
MolPort-042-604-218 0.60 Cl.CC(C)C[C@H](CN)CC(=O)OCCCC=C
MolPort-030-037-235 0.60 COC(=O)C(CC(C)C)OC(=O)CCCC(C)=O
MolPort-000-653-699 0.60 CC(C)OC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-042-604-233 0.60 Cl.CC(C)C[C@H](CN)CC(=O)OCCCC#C
MolPort-030-082-387 0.60 COC(=O)C1C2OC(C)(C3OC23)C1C(=O)OC
MolPort-000-872-458 0.60 COC(=O)CCCCCN
MolPort-001-769-373 0.60 CCOC(=O)C1(CCCCC1)C(=O)OCC
MolPort-019-904-105 0.60 CCOC(=O)[C@H]1CC[C@@H](CC1)C(=O)OCC
MolPort-002-557-272 0.60 CC1(C)C2CCC1(C)C(C2)OC(=O)CC(O)=O
MolPort-003-932-047 0.60 O=C(CCCCC(=O)OCC1CCC2OC2C1)OCC1CCC2OC2C1
MolPort-003-910-721 0.60 CCOC(=O)CC1CCCC1
MolPort-003-707-394 0.60 CCCCCCCCCCOC(=O)C(N)CC
MolPort-046-419-580 0.60 CCOC(=O)CC1CCC(C)CC1
MolPort-046-420-228 0.60 CCOC(=O)C12CC(CO)(C1)OC2(C)C
MolPort-046-430-696 0.60 Cl.COC(=O)C1(N)CCC2CC12
MolPort-002-801-251 0.60 C[C@H](CCC(O)=O)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3CC[C@]12C)OC=O
MolPort-046-588-190 0.60 CCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCC
MolPort-002-747-010 0.60 CCOC(=O)CC1CCCCO1
MolPort-046-592-163 0.60 CCOC(=O)C[C@H]1CC[C@H](O)CC1
MolPort-046-593-606 0.60 CCOC(=O)C12CC3CC(CC(CC)(C3)C1)C2
MolPort-001-942-578 0.60 O=C1CCCCCCCCCCC(=O)OCCOCCO1
MolPort-002-559-556 0.60 O=C1CCCCCCCCC(=O)OCCOCCOCCO1
MolPort-002-548-858 0.60 OC(COC(=O)C12CC3CC(CC(C3)C1)C2)CN1CCCCC1
MolPort-016-636-647 0.60 Cl.COC(=O)C(CN)CC1CCOCC1
MolPort-002-546-045 0.60 CCN(CC)CC(O)COC(=O)CC12CC3CC(CC(C3)C1)C2
MolPort-046-598-101 0.60 CCCCC[N+](C)(C)CC1C2CC[C@@H](C)C3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
MolPort-046-646-922 0.60 CCOC(=O)CC1CCCC(C)C1
MolPort-046-647-368 0.60 Cl.CCCC[C@@H](N)C(=O)OC(C)(C)C
MolPort-046-647-515 0.60 Cl.CCCC[C@H](N)C(=O)OC(C)(C)C
MolPort-046-650-414 0.60 CC(C(N)C(=O)OC(C)(C)C)C1CC1
MolPort-046-652-211 0.60 CCOC(=O)C(C)(N)C1CCC1
MolPort-002-522-847 0.60 CCCC[N+](C)(C)CC1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
MolPort-046-657-759 0.60 CC(C)(C)OC(=O)C(C)(N)C1CCC1
MolPort-002-514-422 0.60 CC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CC(N5CCCCC5)C(=O)[C@@]4(C)CCC23)C1
MolPort-002-512-874 0.60 CC1(C)CCC23COC1C2C1CCC2[C@@]4(C)CCC(OC(=O)CCC(O)=O)C(C)(C)C4CC[C@@]2(C)[C@]1(C)CC3
MolPort-002-511-093 0.60 CC(=O)OC1CC[C@@]2(C)[C@@H](CCC3C4CCC5(OCCO5)[C@@]4(C)CCC23)C1
MolPort-002-485-361 0.60 CCOC(=O)C12CCC(CC1)(CC2)C(O)=O
MolPort-003-933-226 0.60 CC(C)COC(=O)CCCCC(=O)OCC(C)C
MolPort-003-933-617 0.60 CCCCC(CC)C(=O)OCCOCCOCCOCCOC(=O)C(CC)CCCC
MolPort-003-935-699 0.60 CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC
MolPort-045-968-009 0.60 CC1CCC(CCOC(=O)C(C)(C)C)C1(C)C
MolPort-046-701-802 0.60 CCCCC(C(N)C(O)=O)C(=O)OC(C)(C)C
MolPort-044-182-020 0.60 COC(=O)C12CCC(CC1)(C2)C(N)=O
MolPort-001-742-512 0.60 CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@@]1(C[C@@]2(C)O)C[C@@H](O)[C@@]1(O)[C@@H](C[C@H](O)C1(C)C)[C@]3(C)O
MolPort-046-700-855 0.60 OC1C(O)C2OC1CC2C(O)=O
MolPort-014-488-238 0.60 CCNC1CCC(CC1)C(=O)OCC
MolPort-001-763-796 0.60 CC1(C)C2CCC1(C)C(=O)OC2=O
MolPort-001-765-819 0.60 CCOC(=O)C(C1CCCCC1)C(=O)OCC
MolPort-001-766-429 0.60 CCOC(=O)CC12CC3CC(CC(C3)C1)C2
MolPort-002-316-867 0.60 CCOC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-013-508-932 0.60 CCOC(=O)C(N)CC1CC1
MolPort-046-697-158 0.60 CC1C2CC(O)C(OCC(O)C(O)C(O)C(O)CO)C1(C(O2)C(C)=O)C(O)=O
MolPort-011-006-403 0.60 CCOC(=O)CCC1CCCC1
MolPort-009-758-309 0.60 [I-].CC[N+](C)(C)CC1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)O[C@H]4[C@]23OC1=O
MolPort-009-196-905 0.60 CCOC(=O)C(C1CCCC1)C(=O)OCC
MolPort-008-154-523 0.60 CCOC(=O)CC12CC3CC(C1)CC(CC(=O)OCC)(C3)C2
MolPort-044-235-468 0.60 Cl.CC(C)C[C@H](CN)CC(=O)OCCCCC=C
MolPort-006-118-668 0.60 CCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCC
MolPort-005-937-218 0.60 CCOC(=O)C1CCCCC1
MolPort-044-723-623 0.60 CCCCCCCCCCCCCCOC(=O)CCC
MolPort-004-963-520 0.60 CCCOC(=O)CCCCC(=O)OCCC
MolPort-004-831-284 0.60 CCCCC1CCCCC1OC(=O)CC
MolPort-004-831-194 0.60 CCC(=O)OC1CCCCC1CCC(C)C
MolPort-001-791-891 0.60 CCOC(=O)CC1CCCCC1
MolPort-003-960-034 0.60 CCCCCCCCOC(=O)CCC
MolPort-003-959-990 0.60 CCCC(=O)OC1CCCCC1
MolPort-003-940-845 0.60 CCCCCC(=O)OCCC
MolPort-044-831-089 0.60 CC1C(=O)OC(C)(C(O)=O)C1(C)O
MolPort-003-959-972 0.60 CCCCCC(=O)OCC(C)C
MCULE-2916890808 0.60 C12OC1C1(C(C(OC)=O)C(C(OC)=O)C2(C)O1)C
MCULE-7129975810 0.60 C12(C)C(OC(C)=O)CCC1C1C(CC2)C2(C)CCC3(CC2CC1)OCCO3
MCULE-6744847432 0.60 CC1OCC(CCC(O)=O)(O)CC1
MCULE-9750894229 0.60 C12(C)CCC(C3(C)OCCO3)CC1CCC1C3C(C)(CCC21)C(OC(C)=O)CC3
MCULE-9278339708 0.60 C12OC1C1OC2(C)C(C(OC)=O)C1C(OC)=O
MCULE-5633600311 0.60 C(=O)(C(N)CC1(C)CC1)OC(C)(C)C
MCULE-5545760396 0.60 C12(CC3CC(CC(C3)C1)C2)C(=O)OCC(O)CN1CCCCC1
MCULE-3306145336 0.60 O(C(=O)C(C(=O)OCC)C1CCCC1)CC
MCULE-9523482285 0.60 C12(C)C3(OCCO3)CCC1C1C(CC2)C2(C)CCC(CC2CC1)OC(C)=O
MCULE-7832096969 0.60 O=C(CC1CCC(=O)CC1)OCC
MCULE-7553682832 0.60 COC(C1C(=O)COC1C1OCCC1)=O
MCULE-6683368772 0.60 O(C(C)=O)CCCCCC(=O)OC
MCULE-1268832830 0.60 COC(C1(CC(C2CC2)OC1)N)=O
MCULE-2491769219 0.60 C12(CCC(C(N)C1)(C)C2(C)C)C(OC)=O
MCULE-5924628852 0.60 C1C2(C(=O)CC(=O)O2)CCC(OC)C1
MCULE-5414547503 0.60 CC(OC(C1(C(=O)O)C2CC(CC2)C1)=O)(C)C
MCULE-3394134389 0.60 C(C1OCCCC1)C(OCC)=O
MCULE-2792752800 0.60 [C@@H]1(C(OCC)=O)CC[C@@H](CO)CC1
MCULE-4137070739 0.60 COC(C1C(N)CCCC1)=O
MCULE-7490014751 0.60 CC1([C@@H]2[C@@H]([C@@H]([C@@]3([C@@](O)([C@@]2(C)[C@@H](O)CC1)C(=O)C[C@@](C=C)(C)O3)C)O)OC(=O)C)C
MCULE-4439928687 0.60 COC(CC1(CCCCC1)CN)=O
MCULE-9900020708 0.60 [N+]12(CCCCCCCCCC[N+]34CCCC3CC(COC(=O)C(O)(C(C)C)C([H])(C)O)C4)CCCC1CC(COC(=O)C(O)(C(C)C)C([H])(C)O)C2.[Br-].[Br-]
MCULE-5482396714 0.60 Cl.COC(C1CCC(N)CC1)=O
MCULE-8711462705 0.60 [N+]12(CCCCCCCCCC[N+]34CCC[C@@]3([H])[C@@H](CC4)COC(=O)[C@](O)(C(C)C)[C@@H](C)O)CCC[C@@]1([H])[C@@H](CC2)COC(=O)[C@](O)(C(C)C)[C@@H](C)O.[Br-].[Br-]
MCULE-4477542346 0.60 O=C([C@H](CC1CCCCC1)N)OC
MCULE-5956894545 0.60 C123C(O)CCC(C(=O)O1)(C)C2C(C12CC(C(C1)CCC23)=C)C(O)=O
MCULE-2299100950 0.60 C1([C@H](N)C(OC)=O)CCCCC1
MCULE-2755410519 0.60 C12(O)C(=C)CCC(O)C1(C)CCC1C(C(=O)OC21)C
MCULE-3389930308 0.60 CCOC1(C(O)=O)CCC2(CC2)CC1
MCULE-1744176994 0.60 Cl.C1(C(OC)=O)C(N)C2OC1CC2
MCULE-2077713130 0.60 C(OC)(=O)C1(CCCCC1)N
MCULE-1081692532 0.60 C1CC2C(CCC[N+]2(C)CC1)COC(C(C)O)=O
MCULE-6222782588 0.60 COC([C@@H]1C[C@@H](N)CCC1)=O
MCULE-7163006350 0.60 Cl.CCOC(CC1(NC)CCCCC1)=O
MCULE-4978326778 0.60 O=C([C@@H](C1CCCCC1)N)OC
MCULE-5643166567 0.60 COC(C1C2(C3C(C3)CC2)OCC1=O)=O
MCULE-5483569351 0.60 C(OC)(=O)[C@@H](N)C1CCCCC1
MCULE-7046380322 0.60 CC(C1OCC2(OCC(=O)C2)C1)C
MCULE-3104209963 0.60 C(CCC1CCOC1=O)(=O)O
MCULE-1626163594 0.60 [C@]12(C)CCC3C(CC[C@@]4([H])CC([C@H](Br)C[C@]34C)=O)C1C[C@@H](C)[C@]2(O)C(=O)COC(C)=O
MCULE-9933251634 0.60 CCC(C(O)=O)OC1CC(C)CCC1
MCULE-6051902074 0.60 CC1OC(C)C2(OCC(=O)C2)C1
MCULE-2292985211 0.60 C(OC)(=O)[C@@H](N)C1CCCC1
MCULE-1889238169 0.60 CC(C1C2(OCC(=O)C2)COC1)C
MCULE-8597194587 0.60 C(OC)(=O)[C@@H](N)CC1CCCCC1
MCULE-7121565599 0.60 CCCC1C2(OCC(=O)C2)COC1
MCULE-9225140469 0.60 Cl.[C@@H]1(C(OC)=O)CC[C@@H](N)CC1
MCULE-4419910325 0.60 CC1(OC(C)(C)C2(OCC(=O)C2)C1)C
MCULE-3051662158 0.60 COC(C12CC3(CC(CC(C3)C1)C2)N)=O
MCULE-3084640775 0.60 Cl.CC(C[C@@H](CC(OCCCC(N(C)C)=O)=O)CN)C
MCULE-9374497581 0.60 C12CCC(CC1)[C@H](N)[C@H]2C(OC)=O
MCULE-1622630673 0.60 CCC1OCC2(OCC(=O)C2)C1
MCULE-8469855937 0.60 C(OC)(=O)C(N)C1CCCCC1
MCULE-6308270342 0.60 Cl.C1(N(C)C)(CCCCC1)CC(=O)OCC
MCULE-7251909647 0.60 CC(COC1C(C)(C)C(OC(C2C(C)C2)=O)C1)C
MCULE-8998159255 0.60 C12(CCC(C(=O)OC1=O)(C)C2(C)C)C(=O)OC(C)C
MCULE-5211034203 0.60 COC(C(C1C(C)CC(C)(C)CC1)N)=O
MCULE-1443960289 0.60 CCC1C2(OCC(=O)C2)COC1
MCULE-4865684884 0.60 COC(C(C1CC(C)(C)CC(C)C1)N)=O
MCULE-5915719958 0.60 COC(C(C1C2OC(CC2)CC1)N)=O
MCULE-8612574002 0.60 C(OC)(=O)C(N)CCC1CCCCC1
MCULE-6606009353 0.60 CC1OCC2(OCC(=O)C2)C1
MCULE-7926864071 0.60 O=C(C(C1CCCC1)N)OC
MCULE-6094954541 0.60 CC1(OCC2(OCC(=O)C2)C1)C
MCULE-3738848172 0.60 COC(CC1(CCCCC1)N)=O
MCULE-9851540665 0.60 CC1C(C)C2(OCC(=O)C2)CO1
MCULE-3537318005 0.60 O=C([C@H](CC1CCCC1)N)OC
MCULE-3117187451 0.60 CCC1OCCC(C(C(O)=O)N)C1
MCULE-8239162569 0.60 C1(N)(CC2CCC1CC2)C(OC)=O
MCULE-8873806138 0.60 CC1C(C)C2(OC(CCN)CC2)CO1
MCULE-5673932369 0.60 C(OCC(CC)CCCC)(C(CCC(=O)OCC(CCCC)CC)CCC(OCC(CC)CCCC)=O)=O
MCULE-8093319278 0.60 CC1(C(=O)OC(=O)C1)CC1OCCC1
MCULE-9372091760 0.60 COC([C@H]1C[C@H](N)CCC1)=O
MCULE-4744158792 0.60 CCC1OCC2(OC(CCN)CC2)C1
MCULE-8427321685 0.60 C(OC)(=O)[C@@H](N)C1CCCC1
MCULE-2245809863 0.60 C1(C(O)=O)CCC(C)(C(CCC)(CCC)O)OC1(C)C
MCULE-8874981464 0.60 [C@@H]1(C(OC)=O)CCCC[C@H]1N
MCULE-2564780049 0.60 CC1C2(OC(CCN)(C)CC2)COC1
MCULE-8230090919 0.60 COC(C(C1C2(CCCC2)CCC1)N)=O
MCULE-5524005922 0.60 CC1OCC2(OC(CCN)CC2)C1
MCULE-2543113082 0.60 [C@H]1(C(OC)=O)CCC[C@H](N)C1
MCULE-6430060264 0.60 CCC1(OCCC(C(C(O)=O)N)C1)C
MCULE-9396981157 0.60 COCCCC(OC1CC2C(CCCC2)CC1)=O
MCULE-8210378008 0.60 CC(OC1C23CC(O)(C)C1CCC2C(O)(C)C1C2OC2C(C)(C)C1(O)C(O)C3)=O
MCULE-6635734630 0.60 C1OC(=O)[C@@](O)(C)[C@@H]1O
MCULE-7350174012 0.60 CCOC(C1(CC(C)OC1)O)=O
MCULE-6279770051 0.60 CCOCCCC(OC1C(CC)CCCC1)=O
MCULE-9961860680 0.60 CC1([C@]2([C@@H](C[C@@]34[C@H](OC(=O)C)[C@@H](CC[C@H]3[C@](O)(C)[C@@H]2[C@H]2[C@@H]1O2)[C@@](O)(C)C4)O)O)C
MCULE-1320455756 0.60 CCC1C(OC(CCCOC)=O)CCCC1
MCULE-9094019255 0.60 CC(C(OC1(C2CC2)CC1)=O)OC1CCCCCC1
MCULE-3927917130 0.60 O=C1CC(COC2CCOCC2)CCC1
MCULE-8193287084 0.60 CCC1OCC(C(O)=O)(O)C1
MCULE-6061569624 0.60 COC(C(C1C(C)CC(C)(C)C1)N)=O
MCULE-4030386568 0.60 O1C(C1(C)C(C)CC)C(OC)=O
MCULE-4283579759 0.60 CCOC1(C(O)=O)C2(CCCC2)CC1
MCULE-9327406191 0.60 OC(C(O)=O)C1CC(C2CC2)OC1
MCULE-6896710287 0.60 COC(C1(CC(C)(C)CCC1)N)=O
MCULE-2658453918 0.60 C1(C(O)=O)CCC(C)(C(CCC)O)OC1(C)C
MCULE-1510927060 0.60 CCOC1(C(O)=O)C2(CCCCC2)CC1
MCULE-2779035659 0.60 CC1C2(OC(CCN)CCC2)COC1
MCULE-7869537895 0.60 COC(C(C1CC(C)(C)CC1)N)=O
MCULE-6936696608 0.60 CC1C2(OC(CCN)CC2)COC1
MCULE-6303964876 0.60 C(OC)(=O)C1CCCCC1CN
MCULE-3275170163 0.60 CC1(OC(C(O)=O)CC1)CC1COCC1
MCULE-1934223322 0.60 C12(CC3CC(CC(C3)C1)C2)C(N)C(OC)=O
MCULE-7070281227 0.60 CC(C1OCCC(C(C(O)=O)N)C1)C
MCULE-1765138474 0.60 CC(OC1(C(O)=O)C2(CCCC2)CC1)C
MCULE-1064145874 0.60 C1(C(O)=O)CCC(C)(C(C)(C)O)OC1(C)C
MCULE-3677950513 0.60 COC(C(C1CC(C)(C)CCC1)N)=O
MCULE-8881216094 0.60 O=C(C1CC2C(O2)CC1)OCC1CC2C(O2)CC1
MCULE-7959353591 0.60 CC(OC1(C(O)=O)CCC2(CC2)CC1)C
MCULE-6136987626 0.60 C12(CCC(CC1)C(OCC)=O)OCCO2
MCULE-9839883491 0.60 CCC1CCC(C(OC)=O)(N)CC1
MCULE-1077333099 0.60 CC(C1OCC(C(O)=O)(O)C1)C
MCULE-1800765089 0.60 COC(CC(C1CCCCC1)N)=O
MCULE-7535494362 0.60 CCOC([C@H]1O[C@@H](C)CC1)=O
MCULE-2339289189 0.60 C1OC(=O)C(C2CCCCCC2)CC1
MCULE-5543587401 0.60 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@@H](C)[C@]2(OO)C(C)=O)[H]
MCULE-4289563129 0.60 COC(C(C1C(C)(C)CCCC1)N)=O
MCULE-4492697801 0.60 O1C2(CCC(C)(C(OCC)=O)CC2)OCC1
MCULE-2671634853 0.60 O=C(OC)[C@@H]1CCCC[C@H]1N
MCULE-1300034311 0.60 C(C)(=O)OC1CCC2(C)C3CC(C4(C)C(CCC4(O)C3CCC2(C1)[H])C(OC)=O)=O
MCULE-3366176678 0.60 NCCCC(OC1CCCC1)=O
MCULE-9638807024 0.60 C1(C(O)=O)CCC(C)(C(CC)(CC)O)OC1(C)C
MCULE-3166208306 0.60 C(OC)(=O)C(N)CC1(CCCC1)C
MCULE-6551684317 0.60 CC1OCC2(OC(CCN)(C)CC2)C1
MCULE-7025798974 0.60 COC(C[C@H]1[C@H](N)CCC1)=O
MCULE-4472844636 0.60 CC1OCC2(OC(CCN)CCC2)C1
MCULE-8293184442 0.60 C(OC)(=O)[C@H](N)C1CCCCC1
MCULE-2400325805 0.60 O1C2C3CC(CC3OC(C)=O)C12
MCULE-2510942472 0.60 C(OC)(=O)C(N)CC1CCCCC1
MCULE-6911814656 0.60 CCC1C2(OC(CCN)CC2)COC1
MCULE-3183883289 0.60 COC(C1C(N)(C)CCCC1)=O
MCULE-6346924981 0.60 CC(C(O)=O)(C1CC(C2CC2)OC1)O
MCULE-2751833807 0.60 COC([C@@H]1[C@H](N)CCCC1)=O
MCULE-1714130310 0.60 [C@@H](O)(CC(=O)OCC)CCCCCCCCCCC
MCULE-2242722776 0.60 C1(C(N)=O)CC1C1CCOCC1
MCULE-4123937782 0.60 C1(CCCCC1)C(=O)CCC(OCC)=O
MCULE-3418415676 0.60 C(OC)(=O)[C@@H](N)CC1CCCC1
MCULE-8992736755 0.60 [C@H](O)(CC(=O)OCC)CCCCCCCCCCC
MCULE-5834300968 0.60 C1(CCCCC1)(CN)C(OC)=O
MCULE-7893102377 0.60 O1C(CCCCC1=O)=O
MCULE-1397816848 0.60 COC(C1(CC(N)CCC1)C)=O
MCULE-9155260134 0.60 C1(CCCC1O)C(OCC)=O
MCULE-3418473431 0.60 COC(CCC1(CCCCC1)N)=O
MCULE-6611085367 0.60 O=C1CC2C(C3OC2CC3)C1
MCULE-6691477820 0.60 C(OC)(=O)C1CCC(CC1)(CN)O
MCULE-9467254413 0.60 C(OCC)(=O)CC1CCCCC1=O
MCULE-8167140931 0.60 C(OC)(=O)[C@H](N)CC1CCCCC1
MCULE-4704923126 0.60 C(OC1CC2(CC(=O)C2)C1)(=O)C
MCULE-4036377483 0.60 COC(C12CC3(CC(CC(C3)(C1)C)(C)C2)N)=O
MCULE-5021805198 0.60 CCCCCC(CC(OCC)=O)O
MCULE-9546144132 0.60 COC(C(C1C(C)C(C)CCC1)N)=O
MCULE-1306892316 0.60 C(OCC)(=O)C1CCCC(=O)C1
MCULE-7817374270 0.60 C(OC)(=O)C(N)CC1(CCCCC1)C
MCULE-2713354239 0.60 [C@H]1(C(OCC)=O)CCC[C@H](O)C1
MCULE-2397916327 0.60 O1CCC(CC)(CCC(O)=O)C1=O
MCULE-9181432444 0.60 C1CC(=O)OC(CCC)C1
MCULE-1785615651 0.60 C(OC)(=O)[C@H](N)CC1CCCCC1
MCULE-3189342369 0.60 CCOC(C1CC(O)CCC1)=O
MCULE-7978650267 0.60 COC(C(C1C(C)CCC1)N)=O
MCULE-5052421046 0.60 [C@H]1(C(OCC)=O)CCC[C@@H](O)C1
MCULE-8077516764 0.60 COC(C(C1C(C)(C)CCC1)N)=O
MCULE-1278262652 0.60 O1C(=O)CCCCC(=O)OCCCC1
MCULE-7537634861 0.60 [H]Cl.[C@@H]1(C(OC)=O)CC[C@H](N)CC1
MCULE-6427098955 0.60 Cl.COC(CC[C@@H]1C[C@H](N)C1)=O
MCULE-6077662130 0.60 COC(C(C1C(C)CC(C)CC1)N)=O
MCULE-4011994377 0.60 CCOC1(C(O)=O)CCCC1
MCULE-4272555993 0.60 COC(C(C1C2CCC(CC2)C1)N)=O
MCULE-5766901556 0.60 C1(C(OC)=O)CCC(CN)C1
MCULE-9302328858 0.60 COC(C(C1C(C)CCC(C)C1)N)=O
MCULE-1705337126 0.60 C1CC(OC=O)CCCCO1
MCULE-4419946002 0.60 COC(C(C1CC(C)CC1)N)=O
MCULE-2491347547 0.60 C1(CCCC1)C(CCC(=O)OCC)=O
MCULE-7139354028 0.60 C1(C(OC)=O)OC21CCCCCC2CC
MCULE-1732093217 0.60 O=C(OCC)[C@@H]1CCC[C@@H]1O
MCULE-4183189987 0.60 C1(=O)OCCOC(=O)C2CCCCC2C(=O)OCCOC(=O)C2CCCCC12
MCULE-3980862674 0.60 C1(CCCC2C1CCO2)CC(OC)=O
MCULE-3427711147 0.60 C1(C)(C(OC)=O)OC21CCCCCC2C
MCULE-3209092456 0.60 C(O)(=O)C(O)=O.C12(CCCCC1CCN)OCCO2
MCULE-6841680479 0.60 C1(C(OC)=O)OC21CCCCCC2C
MCULE-1165831858 0.60 C([C@@H](N)CCCC1OCCO1)(O)=O
MCULE-5079334165 0.60 CC(OC1C2(O)C(C)(C)C3OC3C2C(O)(C)C2C3(C(O)C(CC2)C(O)(C)C3)C1)=O
MCULE-2759308217 0.60 C1(C(O)=O)CCCCC1C(OCCOC(=O)C1CCCCC1C(O)=O)=O
MCULE-1046917074 0.60 O1C2C3CC(C(C3)C(OCCCC)=O)C12
MCULE-5869538235 0.60 CCOC(COC(CC1CCCC1)=O)=O
MCULE-9978938971 0.60 C1(CCCCC1)(OC(=O)CC(C)=O)C1(CCCCC1)OC(=O)CC(C)=O
MCULE-1157269982 0.60 COC(C(O)=O)C1OCCCC1
MCULE-1680286510 0.60 C12(C)CCC(C)(O1)C(C(=O)OC)C2C(=O)OC
MCULE-3866019756 0.60 C1(=O)C2CC3C(=O)OC(=O)C3C2C(=O)O1
MCULE-4055712940 0.60 C1[C@@H](O)[C@]2(O)CCO[C@]2([H])CC1=O
MCULE-1791773632 0.60 C(O)(CCC(O)(C(OCC)=O)C(OCC)=O)(C(OCC)=O)C(OCC)=O
MCULE-6831516624 0.60 C(=O)(C12CC3CC(C1)CC(C2)C3)OCCCN(C)C
MCULE-3033511675 0.60 O1C(C(CCC)(CC1C)C(OCC)=O)=O
MCULE-4410120948 0.60 C(C)(=O)OC1CCC2(C)C3C(C(C4(C)C(CCC4C3CCC2(C1)[H])C(OC)=O)OC(C)=O)=O
MCULE-5352124834 0.60 C(C)(=O)OC1CCC2(C)C3C(CC4(C)C(CC5C4(C3CCC2(C1)[H])O5)C(OC)=O)=O
MCULE-3710409199 0.60 NC(C(O)=O)CC1OCCC1
MCULE-4305207688 0.60 CC(C#N)(CC(OCCC1OCCCC1)=O)C
MCULE-9039892577 0.60 CC1([C@]2([C@H](OC(=O)C)C[C@@]34[C@H](O)[C@@H](CC[C@H]3[C@](O)(C)[C@@H]2[C@H]2[C@@H]1O2)[C@@](O)(C)C4)O)C
MCULE-4634455503 0.60 COC(COC(C1(CCCCC1)C)=O)=O
MCULE-7837859161 0.60 [C@]1(C)(C(OC)=O)[C@H]2CC[C@@](O2)(C)[C@@H]1C(OC)=O
MCULE-6114790653 0.60 COC(C1C(C(=O)O)C2OC1CC2)=O
MCULE-8207392643 0.60 COC(C1C(C(OCCOC(C)C)=O)CCC1)=O
MCULE-1025259065 0.60 OC(=O)[C@@H](N)CCC(OC1CCCCC1)=O
MCULE-3980305678 0.60 CCOC(COC(C1(CCCCC1)CC)=O)=O
MCULE-1783585362 0.60 CC(C1OCCC1)C(C(O)=O)N
MCULE-4898547067 0.60 C(O)([C@@H](N)CCC(=O)OC1CCCCC1)=O
MCULE-5705871193 0.60 N1(CCCCC1)CC(CCCCCCCCC(OCCC)=O)O
MCULE-9771405026 0.60 C12(CCOC(C)(C)C1)OC(C(C(OCC)=O)C2C(OCC)=O)=O
MCULE-6928557453 0.60 C1(N(C)C)(CC2C(C)(C)C1(C)CC2)C(CN)C(OCC)=O
MCULE-8149296543 0.60 C(C1OCC(O)C1O)(COC(CCCCCCCC=CCCCCCCCC)=O)(O)[H]
MCULE-7545285363 0.60 C12(CCC(C(N)C1(C)C)C2)C(OC)=O
MCULE-1912075311 0.60 CC1CC(C2C(O)COC2)(N)CC1
MCULE-5173292720 0.60 [C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(C)=O)C1CC(N1CCCCC1)C2=O
MCULE-3579125922 0.60 C(=O)(CCCCCCCCC)OCCOCCOCCOC(=O)CCCCCCCCC
MCULE-1054793465 0.60 CC(C[C@@H](CC(OCCC(F)C)=O)CN)C
MCULE-4858483056 0.60 CCOC(C1(C(C)(C)C(C)CC1)C)=O
MCULE-5909407828 0.60 C1(CCCCCCCCC(=O)OCCOCCOCCO1)=O
MCULE-4148985177 0.60 C12(CC3CC(CC(C3)C1)C2)C(=O)OC(C)C
MCULE-6974508346 0.60 CC(C[C@@H](CC(OCCCCF)=O)CN)C
MCULE-8606837250 0.60 CC(C(O)=O)(C(C1OCCCC1)O)C
MCULE-1407199461 0.60 C1(CC2CC(CC(C2)C1)=O)C(OCC)=O
MCULE-1152805009 0.60 O=C(CC1CCCCC1)OCC
MCULE-2811073907 0.60 C1C(O)C(OCC(O)C(C(O)C(CO)O)O)C2(C(O)=O)C(C(=O)C)OC1C2C
MCULE-9962532303 0.60 [C@@H]1(C(O)=O)CC[C@@H](CC(=O)OCC)CC1
MCULE-2621609378 0.60 NC1(C2C(O)COC2)CCCC1
MCULE-6555953518 0.60 C(CCCCC(OCC(C)C)=O)(OCC(C)C)=O
MCULE-2051482915 0.60 [C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CCCC
MCULE-6264301402 0.60 [C@@H]1(C(OCC)=O)CC[C@@H](C=O)CC1
MCULE-9605707113 0.60 [C@]12([H])C[C@H](OC(C)=O)[C@H](C)[C@@]1([H])COC(=O)C2
MCULE-6145790976 0.60 CC[C@@H](C(OC1CCCCC1)=O)N
MCULE-9538974037 0.60 C(=O)OC1CC2CCC3C4CCC(C(C)CCC(O)=O)C4(C)C(CC3C2(C)CC1)OC=O
MCULE-7354026660 0.60 [C@]12(C)CCC3C(CC[C@]4([H])C[C@H](OC=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)CCC(O)=O
MCULE-2679502092 0.60 COC(C(OC(CCCC(C)=O)=O)CC(C)C)=O
MCULE-7351057951 0.60 CCOC(C1CCC(CC(=O)O)CC1)=O
MCULE-3316034816 0.60 [C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CC.[I-]
MCULE-9175647934 0.60 CC(OC([C@@]1(C(C)(C)[C@H](C)CC1)C)=O)C
MCULE-4134940635 0.60 C12(COC(C)C1C)OC2(CC)C(OC)=O
MCULE-4723116129 0.60 C12(COC(C)C1)OC2(CC)C(OC)=O
MCULE-5494306301 0.60 C1(C(OC)=O)CC2C(N)C1CC2
MCULE-1994725623 0.60 CCOC(C(CC1CCCCC1)C)=O
MCULE-3801527309 0.60 C12(COC(C)(C)C1)OC2(CC)C(OC)=O
MCULE-7746076368 0.60 CCOC([C@@]1(C(C)(C)[C@H](C)CC1)C)=O
MCULE-4482974435 0.60 C1(CCCCC1)(C(=O)OCC)C(=O)OCC
MCULE-9919665694 0.60 COC(CC1CCC2(OCCO2)CC1)=O
MCULE-3644457951 0.60 Cl.CC(C[C@@H](CC(OCC(C)=C)=O)CN)C
MCULE-6385548509 0.60 C12(CC3CC(CC(C3)C1)C2)C(OCC)=O
MCULE-9374065161 0.60 Cl.CC(C[C@@H](CC(OCCCC=C)=O)CN)C
MCULE-6166582131 0.60 COC([C@H]1[C@H]2[C@H](C2)[C@@H](N)C1)=O
MCULE-8610708381 0.60 C1(COCC1C)(O)C1(CCC1)CN
MCULE-3264122668 0.60 CC(OC(C1(C(C)(C)C(C)CC1)C)=O)C
MCULE-9458788166 0.60 [C@]12([H])C[C@H](O)[C@H](C)[C@@]1([H])COC(=O)C2
MCULE-2238300147 0.60 C(OC)(CC(C)(C)CC(C)(C)CN)=O
MCULE-2414808188 0.60 CC(C(O)=O)C(C1OCCCC1)O
MCULE-3850767313 0.60 CCOC(C1(CCCCC1)C)=O
MCULE-3795646947 0.60 C(C1CCCCC1)CC(=O)OCC
MCULE-6039701686 0.60 CC(OCCOC(C[C@@H]1C(C)(C)[C@H](C(C)=O)C1)=O)C
MCULE-7802327681 0.60 CCCCCCCCCC(OCCOCCOCCOC(CCCCCCC)=O)=O
MCULE-4671071406 0.60 C1C[C@@]2([H])[C@H](C)CC[C@@]3([H])[C@@H](C)C(=O)O[C@@]23[C@H](O)C1=C
MCULE-9013585398 0.60 COC(CCCCCN)=O
MCULE-1892813010 0.60 C1(C(CCCCCC(=O)OCC)=O)CCCCC1
MCULE-1582912050 0.60 CCCCCCCC(OCCOCCOCCOC(CCCCC)=O)=O
MCULE-4498591272 0.60 O=C(CCCCC(=O)OCC1CCC2C(O2)C1)OCC1CCC2C(O2)C1
MCULE-6617497689 0.60 C(OCC)(=O)C(CC)C1CCC(OC)CC1
MCULE-5413494392 0.60 C1(CCCCCCCCCCC(=O)OCCOCCO1)=O
MCULE-7256441119 0.60 C1(C(=O)CCCCC(=O)OCC)CCCCC1
MCULE-9382429190 0.60 OC1C2CC(C(O)=O)C(O2)C1O
MCULE-5418961386 0.60 O1CCOC21CC1(C)C3CCC4(C)C(CCC4C3CCC1(CC2)[H])OC(C)=O
MCULE-9746185320 0.60 OC1CC(C2C3CC(CC3)C2)OC1
MCULE-3596143697 0.60 CCCCC(CC)C(OCCOCCOCCOCCOC(C(CC)CCCC)=O)=O
MCULE-6360138428 0.60 CC1(C2C3CC(CC3)C2)OCC(O)C1
MCULE-9637902009 0.60 C(OC1CCCCC1)(CCC)=O
MCULE-1980614101 0.60 C12(CC3(C(CO1)(C)C2(C)CC3)[H])CC(O)=O
MCULE-7665514505 0.60 C(CCCCC)(OCCC)=O
MCULE-9489706932 0.60 C1CC(C(=O)OCC)CCC1
MCULE-4644072329 0.60 Cl.CC(C[C@@H](CC(OCCCC#C)=O)CN)C
MCULE-9846907120 0.60 C12(CC(OC1C)C)OC2(CC)C(OC)=O
MCULE-2391491595 0.60 C1(C(C)C)(C(OC)=O)OC21COC(C)C2
MCULE-2332297552 0.60 CC(OC(C1CCC(C(=O)O)CC1)=O)(C)C
MCULE-3442440014 0.60 C12(COC(CC)C1)OC2C(OC)=O
MCULE-1466374076 0.60 C(C1CCCCC1)(C(OCC)=O)C(OCC)=O
MCULE-1082085436 0.60 C12(COC(CC)C1)OC2(C)C(OC)=O
MCULE-1419590253 0.60 C12(COC(C(C)C)C1)OC2C(OC)=O
MCULE-1611330495 0.60 C1(C)(C)C(C)CCC1CCOC(=O)C(C)(C)C
MCULE-4015268505 0.60 [C@]12(C)CCC3C(CC[C@@]4([H])CC(CC[C@]34C)OC(C)=O)C1CCC12OCCO1
MCULE-5510510611 0.60 C(=O)(CC(C)C)OCCCCCCC
MCULE-4888488411 0.60 C12(COC(C(C)C)C1)OC2(C)C(OC)=O
MCULE-6309626186 0.60 C1(CCCC1)C(=O)CCCCCCC(=O)OCC
MCULE-1292153967 0.60 C1(CCCC1)C(=O)CCCCCC(=O)OCC
MCULE-4432824163 0.60 CCOC(CC(C1CCCCC1)C)=O
MCULE-2348244346 0.60 O=C(OCC)C1CCC(C)CC1
MCULE-9243804713 0.60 C1(C(=O)CCCCC(=O)OCC)CCCC1
MCULE-2073702029 0.60 O=C(OC1CCCCCCC1)COC1CCCCC1
MCULE-2844673391 0.60 C(OCC)(CC1CCCC1)=O
MCULE-5171515014 0.60 C(=O)(OCCOCCO)CCCCCCCCCCC
MCULE-5109632056 0.60 C12(COC(C)C1C)OC2C(OCC)=O
MCULE-3704685828 0.60 C1(=O)C(CC)CC(C)O1
MCULE-4385588365 0.60 C1(CCCCC1)C(CCCCCCC(=O)OCC)=O
MCULE-7582349458 0.60 O(C1CCCCC1CCCC)C(CC)=O
MCULE-6201409254 0.60 CCCCCCCCCCC(C(=O)OC1CCCCC1)[N+](C)(C)C.[Br-]
MCULE-2744311581 0.60 [C@H]12[C@@](O1)(C)CCC1[C@H](C)CCC3C(C(=O)O[C@@]231)C[N+](C)(C)CCCCC
MCULE-8772454255 0.60 Cl.COC(C(C1CC2C(C2)C1)N)=O
MCULE-3291260915 0.60 C1(=O)OC(CC1C(CCC)=O)C
MCULE-8421629880 0.60 CC1(C=O)OC2(CC(C3CC3)OC2)CC1
MCULE-2550816845 0.60 OC(C1OCCCC1)CC(O)=O
MCULE-9657963459 0.60 CCCOC(CCCCC(OCCC)=O)=O
MCULE-4168808200 0.60 O1C2(CCC(C(OC)=O)(C(OC)=O)CC2)OCC1
MCULE-1052354828 0.60 C(OCC)(=O)C(C1CCC(O)CC1)C
MCULE-1038002118 0.60 C(CCCCC)(OCC(C)C)=O
MCULE-9743400889 0.60 C12C(C)C(OC1CCCC2C(OCC)=O)C
MCULE-8034208082 0.60 C12CC(OC1CCCC2C(OCC)=O)C
MCULE-2922452192 0.60 C1(CCCC2OCCC12)C(OCC)=O
MCULE-5398943403 0.60 C12C(C)COC1CCCC2C(OCC)=O
MCULE-6526666439 0.60 CCOC(C1CCC(NC(C)C)CC1)=O
MCULE-8897522750 0.60 COC(CC1OCCC(N)C1)=O
MCULE-6317896896 0.60 C1[C@@H](CC(=O)OCC)CC[C@H](O)C1
MCULE-8534661162 0.60 OC1CC2(C3CC(CC3)C2)OC1
MCULE-9344764191 0.60 COC([C@@]12C[C@@H](N)C[C@@H]1C2)=O
MCULE-4450099110 0.60 Cl.COC(C(CC1CCOCC1)CN)=O
MCULE-2882981418 0.60 O=C(OCC)C1CCC(C=O)CC1
MCULE-4943162001 0.60 Cl.C(OCC)(CC1CCC2(CC1)CCNCC2)=O
MCULE-3703243318 0.60 C1(C)C(=O)OC(C)(C(=O)O)C1(O)C
MCULE-5001096672 0.60 C(CC)(CCCC)C(=O)OCCOCCOCCOC(=O)C(CC)CCCC
MCULE-3187179700 0.60 COC1(C(O)=O)CC(C(C)C)OC1
MCULE-9470861278 0.60 O=C1CC2(CC(C3CC3)OC2)OCC1
MCULE-4964108817 0.60 O(C1CCCCC1CCC(C)C)C(CC)=O
MCULE-8890710257 0.60 C(OCCCCCCCC)(=O)CCC
MCULE-9333264999 0.60 C(OCC)(=O)C(N)CC1CC1
MCULE-1530169384 0.60 COC1(COCC1)CC1C(N)CCC1
MCULE-1492270496 0.60 C12(C)CCC(C1(C)C)C(OC2=O)=O
MCULE-9781248122 0.60 CCCC(=O)OCCCCCCCCCCCCCC
MCULE-4816619944 0.60 O=CC1OC2(CC(C3CC3)OC2)CC1
MCULE-5011947309 0.60 C12(CC3CC(CC(C3)C1)C2)CC(OCC)=O
MCULE-5788025182 0.60 CC1C(C2C3CC(CC3)C2)(O)COC1
MCULE-7451286551 0.60 O=C1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2(O)C1)C(OCC)=O
MCULE-3701640308 0.60 CCC1OCC(C(O)=O)(OC)C1