SANC00110 7-Angelylplatynecine




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-4354077810 0.86 [C@H]1(O)[C@H]2N(C)[C@H](C[C@@H](OC(=O)/C(=C/C)/C)C2)[C@H]1OC(/C(/C)=C/C)=O
MolPort-039-338-396 0.86 C\C=C(/C)C(=O)O[C@H]1[C@@H](O)[C@@H]2C[C@@H](C[C@H]1N2C)OC(=O)C(\C)=C\C
MolPort-009-757-738 0.83 OC(C(O)C(O)=O)C(O)=O.C\C=C1/C[C@H](C)[C@H](C)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-046-153-852 0.80 C\C=C(\C)C(=O)OC[C@H]1[C@@H](O)CN2CCC[C@H]12
MCULE-3001536995 0.80 [C@]12([H])CCCN1C[C@H](O)[C@@H]2COC(/C(=C\C)/C)=O
MolPort-007-549-187 0.79 C\C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
MolPort-006-111-401 0.79 C\C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-039-338-352 0.79 C\C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-002-527-317 0.79 C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-001-970-710 0.79 C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
MolPort-039-339-124 0.79 C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@H]23
MCULE-1098347199 0.79 C1(=C/C)/C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC/1=O)[C@@]23[H])C
MCULE-2453824717 0.79 C1(=O)C(=CC)C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@H]([C@]32[H])O1
MCULE-8392481784 0.79 C12(C3([H])COC(=O)C(C)(O)C([H])(C)CC(=CC)C(=O)OC1([H])CCN2CC3)[H]
MCULE-3408134534 0.79 [C@]12([C@@]3([H])COC(=O)[C@](C)(O)[C@@]([H])(C)CC(=CC)C(=O)O[C@]1([H])CCN2CC3)[H]
MCULE-9542568510 0.79 C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC\1=O)[C@]23[H])C
MCULE-7322741531 0.79 C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
MolPort-009-653-454 0.77 OC(C(O)C(O)=O)C(O)=O.C\C=C1\C[C@@H](C)C(C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-009-758-408 0.77 OC(C(O)C(O)=O)C(O)=O.C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-035-813-702 0.77 OC(C(O)C(O)=O)C(O)=O.C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
MCULE-1506963069 0.77 C(O)(C(O)=O)C(O)C(O)=O.C1(=O)C(=CC)CC(C)C(C)(O)C(=O)OCC2CCN3CCC(C32)O1
MCULE-7838408162 0.77 C(O)(C(O)=O)C(O)C(O)=O.C1(=O)C(=CC)CC(C)C(C)(O)C(=O)OCC2CCN3CCC(C32[H])O1
MolPort-044-754-045 0.76 C[C@@H]1C\C(C)=C/C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@]1(C)O)[C@H]23
MCULE-5741931390 0.76 N1(C)C2CCC1CC(OC(/C(/C)=C\C)=O)C2
MCULE-4226767409 0.76 N1(C)C2CCC1CC(OC(/C(/C)=C/C)=O)C2
MCULE-1328502038 0.76 C(O[C@@H]1C[C@@H]2N(C)[C@@H](CC2)C1)(=O)/C(/C)=C/C
MCULE-4663213110 0.76 C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC\1=O)[C@@]23[H])C
MolPort-006-111-467 0.76 C\C=C(/C)C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C
MolPort-046-153-866 0.76 C\C=C(\C)C(=O)OC1CC2CCC(C1)N2C
MolPort-044-754-029 0.76 C\C=C(/C)C(=O)OC1CC2CCC(C1)N2C
MolPort-039-338-347 0.76 C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@@H]23
MolPort-044-754-020 0.75 CC(=O)O[C@@H]1C[C@@H]2N[C@H]1CC[C@H]2O
MCULE-9470084264 0.75 [C@H]1(OC(C)=O)[C@@H]2CC[C@@H](O)[C@@H](N2)C1
MCULE-8030008242 0.75 [C@@H]1(C)[C@H](C)[C@](O)(C)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@]23[H]
MolPort-039-338-348 0.75 C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MCULE-4826245259 0.74 OC1CC2N(C)C(CC2OC(=O)C)C1
MCULE-7372965018 0.74 C(O[C@H]1C[C@@]2([H])N(C)[C@]1([H])C[C@@H](O)C2)(=O)C
MCULE-6360711273 0.74 C(O[C@H]1C[C@@]2([H])N(C)[C@]1([H])C[C@@H](O)C2)(=O)C.C(O)(=O)C
MolPort-038-941-695 0.74 CN1C2CC(OC(C)=O)C1CC(O)C2
MolPort-027-717-778 0.73 Cl.CC=CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-000-748-737 0.73 [Cl-].C\C=C\C(=O)OC[C@@H]1CCC[NH+]2CCCC[C@H]12
MCULE-3592998988 0.73 CN1C(C)(C)CC2(OC(=O)CC2)C1
MCULE-8007991830 0.73 N1(C)C2CCC1CC(OC(=O)CCN1CCOCC1)C2
MolPort-000-917-836 0.73 CN1C2CCC1CC(C2)OC(=O)CCN1CCOCC1
MolPort-000-837-516 0.72 Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CCN1CCOCC1
MCULE-5504260229 0.72 O=C1OC2C(NCCC2)C1
MCULE-5745558790 0.72 C1(=O)OCC2NCCCC12
MCULE-4712401568 0.72 Cl.Cl.N1(C)C2CCC1CC(OC(=O)CCN1CCOCC1)C2
MCULE-2781218490 0.72 N12CCOC(CCC(=O)OC(CC1(C)C)CC2(C)C)=O
MolPort-035-681-744 0.72 CN1C2CC(OC(C)=O)C1CC(=O)C2
MolPort-002-531-325 0.72 COCC1CCCN1CC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MCULE-2868704165 0.71 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)=C)C
MolPort-002-512-509 0.71 CC1CN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
MolPort-002-511-364 0.71 CC(=C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-002-532-611 0.71 COCC1CCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-044-459-851 0.70 O=C1OC(CN2CCOCC3(CCCC3)C2)CC11CCC1
MCULE-1784214054 0.70 O=C1C2(CCC2)CC(CN2CC3(CCCC3)COCC2)O1
MCULE-1653653200 0.70 OC[C@@]12NCC[C@@H]1C(=O)OC2
MCULE-3636847680 0.70 [I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)=C)C
MolPort-002-509-999 0.70 CC1CN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
MolPort-000-738-299 0.70 [I-].CC(=C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-029-929-486 0.69 CC(=C)COCCNC1C2CCOC2C11CCCC1
MolPort-046-153-844 0.69 C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12
MolPort-003-873-355 0.69 CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@H]1[C@H]23
MolPort-035-705-684 0.69 CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2[C@@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@H]1[C@H]23
MolPort-039-338-825 0.69 CCC1C2OC(=O)C(C)C2C2CC(C3CC(C)C(=O)O3)N3CCCCC1C23
MolPort-046-674-164 0.69 Cl.OC[C@]12COC(=O)[C@H]1CCN2
MolPort-046-651-718 0.69 CCOC(=O)C1NCCC1C1CCCO1
MolPort-046-657-760 0.69 CC(C)(C)OC(=O)C1NCCC1C1CCCO1
MolPort-009-758-530 0.69 OC(=O)C(O)=O.COCC1CCCN1CC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MCULE-8509255158 0.69 [C@@]12([H])[C@H](OC(=O)/C(=C\C)/C)CCN1CC=C2CO
MCULE-6346137087 0.69 CC(COCCNC1C2(CCCC2)C2C1CCO2)=C
MCULE-3698049960 0.69 C1C[C@]2([H])[C@@H](CC)[C@]3([H])OC(=O)[C@@H](C)[C@]3([H])[C@@]3([H])C[C@@]([H])([C@]4([H])C[C@H](C)C(=O)O4)N([C@]23[H])CC1
MCULE-4190733223 0.69 C1CC2C(CC)C3OC(=O)C(C)C3C3CC(C4CC(C)C(=O)O4)N(C23)CC1
MCULE-4995633237 0.69 O=C1O[C@]2([H])[C@]([C@@]3([C@]4([C@]([C@H]2CC)([H])CCCCN4[C@H]([C@H]2OC(=O)[C@@H](C)C2)C3)[H])[H])([H])[C@@H]1C
MCULE-2234824021 0.69 C1C[C@]2([H])[C@@H](CC)[C@@]3([H])OC(=O)[C@@H](C)[C@@]3([H])[C@]3([H])C[C@@]([H])([C@]4([H])C[C@H](C)C(=O)O4)N([C@]23[H])CC1
MCULE-2505880600 0.69 OC[C@@]12NCC[C@@H]1C(=O)OC2.Cl
MCULE-6328173316 0.69 OC(C1CN(C2CC(C3CC3)OC2)C1)=O
MCULE-8244262888 0.69 CCOC(C(C(NCC1OC(C)CC1)C)C)=O
MCULE-9285535526 0.69 CCOC(C1CCC(N[C@H]2[C@H]3O[C@H](CC3)C2)CC1)=O
MCULE-9550261096 0.69 CC(OCCN1C2C(C(OC(C)(C)C)=O)CC1CC2)(C)C
MCULE-2986488119 0.69 C1CC(C(=O)OCC2CCC[N+]3(C)CCCCC32)NCC1
MolPort-002-514-906 0.69 C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCOCC1
MolPort-002-511-976 0.69 CC1CN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
MolPort-039-287-843 0.69 CCOC(=O)C(C)C(C)NCC1CCC(C)O1
MolPort-039-231-580 0.69 CCOC(=O)C1CCC(CC1)N[C@@H]1C[C@H]2CC[C@@H]1O2
MolPort-039-290-059 0.69 CC(C)(C)OCCN1C2CCC1C(C2)C(=O)OC(C)(C)C
MolPort-044-722-541 0.68 CC(C)C(O)(C(C)O)C(=O)OC1CCN2CCCC12
MolPort-002-509-606 0.68 C=CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-002-514-288 0.68 C[N+]12CCCC[C@@H]1[C@H](COC(=O)C=C)CCC2
MolPort-030-033-274 0.68 CC1(C)CC(NCCC2CCOC2=O)C(C)(C)O1
MolPort-002-516-478 0.68 C[C@@H]1C[C@@H]2OC(=O)C(CN3CCOCC3)[C@H]2[C@H](O)[C@]2(C)[C@H](C[C@H](OC(C)=O)C12)OC(C)=O
MCULE-9482753335 0.68 C(=O)(OC1CCN2CCCC21)C(O)(C(C)C)C(C)O
MCULE-4094691449 0.68 N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=C
MCULE-5975824916 0.68 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=C)C
MCULE-6634764110 0.68 CC1(OC(C)(C)C(NCCC2C(=O)OCC2)C1)C
MCULE-2577773053 0.68 O=C1CCC2(CCCNC2)O1
MCULE-7601880415 0.68 N1(C)C2CCC1CC(OC(=O)CN1CCCCC1)C2
MCULE-9432103602 0.68 [I-].C1CC(C(=O)OCC2CCC[N+]3(C)CCCCC32)NCC1
MolPort-000-707-524 0.67 [I-].C[N+]12CCCC[C@@H]1[C@H](COC(=O)C=C)CCC2
MolPort-044-461-881 0.67 CCCCOC(=O)CCN1CCOC(C1)C1CC1
MolPort-005-943-127 0.67 CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
MolPort-002-510-187 0.67 C[C@@H]1C[C@@H]2OC(=O)C(CN3CCOCC3)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)C12
MolPort-002-104-006 0.67 Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CN1CCCCC1
MolPort-042-693-459 0.67 O=C1OC(CN2CCCC22CCC2)CC11CC1
MolPort-046-153-871 0.67 CC(C)CC(=O)OC1CC2CC(O)C(C1)N2C
MolPort-027-836-695 0.67 Cl.O=C1CCC2(CCCNC2)O1
MolPort-039-052-246 0.67 [H][C]123OC(=O)[C]1([H])([C@@H]2C(C)C)[C@H]1CC[C@@H]2CN(C)[C@@H]3[C@]12C
MCULE-3871974740 0.67 CCCCOC(CCN1CC(C2CC2)OCC1)=O
MCULE-5410367230 0.67 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=C)C.[I-]
MCULE-5767001644 0.67 CC(C(O)=O)CN1C2C(COC2)CCC1
MCULE-5501061381 0.67 OC(CCN1C2C(COC2)CCC1)=O
MCULE-1450082233 0.67 O=C1CCN(C2CC(C3CC3)OC2)CC1
MCULE-7153043833 0.67 CCOC1CC2(CN(CC3OC(=O)C4(CC4)C3)CC2)C1
MCULE-2974917831 0.67 C(CCC)(=O)O[C@H]1CN2CC[C@H](O)[C@]2([H])[C@@H](O)[C@@H]1O
MCULE-9168847239 0.67 CCCC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@]2([H])N(CC[C@H]2O)C1
MCULE-3780127528 0.67 O=C1C2(CC2)CC(CN2C3(CCC3)CCC2)O1
MCULE-4869122368 0.67 C1C(O)C2N(C)C1CC(OC(CC(C)C)=O)C2
MCULE-1082408800 0.67 [C@@]12([H])[C@@H](C(C)C)[C@@]([H])([C@@]3(CC[C@]4([C@]3(C)[C@]1([H])N(C)C4)[H])[H])C(=O)O2
MCULE-7419259479 0.67 CC(C1C2OC(=O)C1C1C3(C)C2N(C)CC3CC1)C
MCULE-9729146455 0.67 N1(C)C2CCC1CC(OC(CNC1CCCCC1)=O)C2
MCULE-8673137679 0.67 OC(C(CN1C2C(COC2)CCC1)=C)=O
MCULE-1468733429 0.67 N1(C)C2CCC1CC(OC(=O)CN1CCCCC1)C2.Cl.Cl
MCULE-9482796143 0.67 Cl.O=C1CCC2(CCCNC2)O1
MCULE-3024990220 0.67 C12C3CCC(CC1O2)N3C(C)(C)C
MCULE-6829582666 0.67 Cl[H].C(CCC)(=O)O[C@H]1CN2CC[C@H](O)[C@]2([H])[C@@H](O)[C@@H]1O
MCULE-3024840480 0.67 Cl.CCOC1CC2(CN(CC3OC(=O)C4(CC4)C3)CC2)C1
MCULE-3535284849 0.67 COCC1(CCOCC1)CNC1C2(OCCC2)CCC1
MCULE-2772273482 0.67 CC(N1C2C(COC2)CCC1)CC(O)=O
MolPort-044-444-574 0.67 Cl.CCOC1CC2(C1)CCN(CC1CC3(CC3)C(=O)O1)C2
MolPort-046-417-126 0.67 Cl.CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
MolPort-046-736-477 0.67 CC(C)(C)OC(=O)[C@]12COC[C@@H]1NCCC2
MolPort-002-103-737 0.66 Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CNC1CCCCC1
MolPort-002-726-877 0.66 COCCN1CCC(OC(C)=O)C2CCCCC12
MolPort-028-784-518 0.66 CCC1(COC(=O)C2CC3CCC2C3)CCCN1C
MolPort-023-332-296 0.66 COC1CC(C)(C)N(CCOC(=O)CCC(C)=O)C(C)(C)C1
MolPort-039-062-264 0.66 COC1CC(C)(C)N(CCOC(=O)CCC(C)=O)C(C)(C)C1
MolPort-035-848-310 0.66 C(C1CCC2(CCCCC2)O1)N1CCOCC2(CCOCC2)C1
MolPort-046-153-835 0.66 C[C@@H]1C[C@@]2(C)CC(=O)O[C@@H]3CCN4CC[C@H](COC(=O)[C@]1(C)O2)[C@H]34
MCULE-3532125991 0.66 [C@]12(OC([C@@H](C)C1)=O)[C@@H](OC)CCCN1[C@@]([H])(CC[C@]21[H])[C@@]1([H])OC([C@@H](C)C1)=O
MCULE-8599273844 0.66 Cl.Cl.N1(C)C2CCC1CC(OC(CNC1CCCCC1)=O)C2
MCULE-9015308869 0.66 C12COCC1NCCC2C(O)=O
MCULE-8978021306 0.66 C=CC[N+]1(CCCCC1)[C@@H]1[C@H](OC(=O)CC)[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@@](C[C@@H]([C@H](C2)N2CCCCC2)OC(=O)C)([H])CC3)[H])([H])C1
MCULE-4334513380 0.66 CCC1(N(C)CCC1)COC(C1C2CC(CC2)C1)=O
MCULE-7611623453 0.66 C(N1CC2(CCOCC2)COCC1)C1OC2(CCCCC2)CC1
MCULE-1417245010 0.66 CC1(CC(OC)CC(C)(C)N1CCOC(=O)CCC(=O)C)C
MCULE-9559561642 0.66 CC(C=O)(CN1C2COCC2CCC1)C
MCULE-4751392649 0.66 C12CCCCC1N(CCC2OC(C)=O)CCOC
MCULE-7291134473 0.66 CC(CCN1C2C(COC2)CCC1)=O
MCULE-6948520599 0.66 O=CCCN1C2C(COC2)CCC1
MCULE-5706880350 0.66 C1[C@]2(C)C[C@@H](C)[C@@](C)(O2)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@]23[H]
MCULE-3630172217 0.66 C1CC2C(CCCN2CC1)COC(=O)CN1CCOCC1
MCULE-8670586100 0.66 N1C(C)(C)CC(CC1(C)C)OC(=O)C=CC(=O)OC1CC(C)(C)NC(C)(C)C1
MCULE-2226855694 0.66 CCCCNC(C(OCC)=O)C1COCCC1
MCULE-3547461120 0.66 C=CC[N+]1(CCCCC1)[C@@H]1[C@H](OC(=O)CC)[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)[C@@](C[C@@H]([C@H](C2)N2CCCCC2)OC(=O)C)([H])CC3)[H])([H])C1.[Br-]
MCULE-4199169468 0.66 C1(CCCCC1)(N1CCOCC1)CC(OCC)=O
MCULE-8971651094 0.66 O=C1CN(C2CC(C3CC3)OC2)CC1
MolPort-046-649-808 0.66 COC(=O)C1NCCC1C1CCCO1
MolPort-002-532-110 0.66 COC(CNCC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-002-526-411 0.66 COC(CN(C)CC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-002-525-319 0.66 CCC(CO)NCC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-152-394 0.66 CC1(C)CC(CC(C)(C)N1)OC(=O)\C=C/C(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-003-707-657 0.66 CC1(C)CC(CC(C)(C)N1)OC(=O)\C=C\C(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-002-518-190 0.66 CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN4CCOCC4)[C@H]3CC12O
MolPort-028-799-765 0.66 CCCCNC(C1CCCOC1)C(=O)OCC
MolPort-006-169-994 0.66 [Br-].CCC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(CC=C)CCCCC1
MolPort-046-509-867 0.66 CCOC(=O)C1CCNC11COC1
MolPort-039-004-641 0.65 CCCCCN(CC1CC2(CC2)C(=O)O1)C(C)C
MolPort-039-233-483 0.65 CC(C)(C)OC(=O)CCN1CCOCC2(CCC2)C1
MolPort-038-963-797 0.65 COCCC1(CN2CCOC3CCC(CC23)OC)CCCCC1
MolPort-002-510-536 0.65 C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(CN3CCOCC3)[C@@H]2CCC1=C
MolPort-002-513-564 0.65 COC(CNCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-002-509-334 0.65 CN(CC(O)C(O)C(O)C(O)CO)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-516-695 0.65 COC(CN(C)CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-002-531-287 0.65 CCC(CO)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-531-713 0.65 C[C@]12CCCC3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCC1CO
MolPort-011-251-579 0.65 CCOC(=O)C1CCCN(CC2CCCO2)C1
MolPort-038-397-907 0.65 CC(C)=CCO[C@H]1CCOC[C@H]1NC1CCOCC1
MCULE-8021884146 0.65 CC(OC(CCN1CC2(CCC2)COCC1)=O)(C)C
MCULE-7902731091 0.65 O=C1CCN(C2CC3(CCC3)OC2)CC1
MCULE-3242621239 0.65 CC(C(O)=O)(CN1C2COCC1CC2)C
MCULE-7195118305 0.65 CC(C(O)=O)CN1C2COCC1CC2
MCULE-1211352766 0.65 C12CCCCC1N(CCC2OC(C)=O)CCOC.[H]Cl
MCULE-7237795903 0.65 COCCC1(CCCCC1)CN1C2C(CCC(OC)C2)OCC1
MCULE-7578638971 0.65 OC(CCN1C2COCC1CC2)=O
MCULE-9836394796 0.65 CCCCCN(C(C)C)CC1OC(=O)C2(CC2)C1
MCULE-3612364559 0.65 CC(N1C2C(COC2)CCC1)CC(C)=O
MCULE-2635640267 0.65 N1CC(CC1CCCC)OCC1CC1
MCULE-4307048516 0.65 [C@]123C[C@@]4([C@@](O)(C[C@@H]([C@]5(O)[C@]([C@]6([H])CC[C@]([H])(C)CN6C[C@]54[H])(C)O)O)[C@]1([H])CC[C@@]1([C@](O)([C@H](CC[C@]21C)OC(=O)C(C)=CC)O3)[H])O
MCULE-1310239871 0.65 N1(C)C2CCC1CC(OC(=O)CN1CCOCC1)C2
MCULE-5260058242 0.65 OC(C(CN1C2COCC1CC2)=C)=O
MCULE-5662137056 0.65 OC(C(O)=O)CN1C2C(COC2)CCC1
MCULE-7641833758 0.65 CCOC(C1CN(CC2OCCC2)CCC1)=O
MCULE-1638754111 0.65 N1(CCOCC1CC(OC)=O)C1CCCCC1
MCULE-6486625271 0.65 [C@H]1(COCC[C@@H]1OC/C=C(\C)/C)NC1CCOCC1
MCULE-2942566151 0.65 C1CC2(C3C(COC3)NC2)C1
MCULE-7033046587 0.65 NC(C1(CCOCC1)CNC1C2(CCCC2)OCC1)=O
MCULE-9602198033 0.65 C12C3OC3C(N1C)CC(OC(C(=C)C1C=CC=CC=1)=O)C2
MCULE-1330133255 0.65 CC(OC(C(CNCC1(OCCCC1)C)(O)C)=O)(C)C
MCULE-8706715803 0.65 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)[C@@H](N5CCOCC5)C[C@]34C)[C@]1([H])C[C@H](N1CCCC1)[C@@H]2OC(C)=O)[H]
MCULE-9423420094 0.65 O1C(CCC1=O)CN(C)CCC1(CCCC1)O
MCULE-3814611001 0.65 CCC(C1(C(OC)=O)CCC1)NCC1(OCCC1)C
MCULE-4307528719 0.65 O1C(CCC1=O)CN(C)CC1(CCCC1)CO
MCULE-9851461246 0.65 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)[C@@H](N5CCOCC5)C[C@]34C)[C@]1([H])C[C@H](N1CCCC1)[C@@H]2OC(C)=O)[H]
MCULE-3321241772 0.65 CC(N1C2COCC1CC2)CC(O)=O
MCULE-5910835461 0.65 CCC1OCC(N2CC(C(O)=O)CC2)C1
MCULE-4408641861 0.65 CC(N1C2COCC1CC2)(CC(O)=O)C
MCULE-7657196861 0.65 OC(C1(CC1)CN1C2COCC1CC2)=O
MCULE-8903965924 0.65 CC(N1C2COCC1CC2)C(C(O)=O)C
MCULE-1287270109 0.65 CCOC(C1(C(N2CC3(CCCCC3)OCC2)=O)CCOCC1)=O
MCULE-8871825011 0.65 C(=O)(CCNCC1CCCO1)OC(C)(C)C
MCULE-2046787801 0.65 C(OCC)(=O)CCNCC1CCCO1
MCULE-1283016853 0.65 CC(C(OCCN1CCCCCC1)=O)=C
MCULE-7726335477 0.65 C(=O)(OC(C)(C)C)C(C)CNCC1CCCO1
MCULE-8827822690 0.65 [C@@]12(CCOC[C@H]1CN(CC(C)(C)CN1CCOCC1)C2)C(O)=O
MolPort-046-543-108 0.65 NC(=O)C1(CNC2CCOC22CCCC2)CCOCC1
MolPort-046-688-569 0.65 CN1[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(=C)C1=CC=CC=C1
MolPort-046-647-151 0.65 COC1CNCC(C1)C(=O)OC(C)(C)C
MolPort-006-392-363 0.65 CN1C2CC(CC1C1OC21)OC(=O)C(=C)C1=CC=CC=C1
MolPort-002-530-793 0.65 C[C@]12CCCC3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCC1
MolPort-046-136-568 0.65 CC(C)(C)OC(=O)C(C)(O)CNCC1(C)CCCCO1
MolPort-028-796-302 0.65 CCC(NCC1(C)CCCO1)C1(CCC1)C(=O)OC
MolPort-045-914-076 0.65 CN(CC1CCC(=O)O1)CC1(CO)CCCC1
MolPort-045-909-797 0.65 CN(CCC1(O)CCCC1)CC1CCC(=O)O1
MolPort-020-007-937 0.65 CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCOCC1)N1CCCC1
MolPort-046-588-318 0.65 CC(=C)C(=O)OCCN1CCCCCC1
MolPort-042-607-330 0.65 CCOC(=O)C1(CCOCC1)C(=O)N1CCOC2(CCCCC2)C1
MolPort-002-513-469 0.65 C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCN1CCOCC1
MolPort-046-745-008 0.65 CC(C)(CN1C[C@@H]2COCC[C@@]2(C1)C(O)=O)CN1CCOCC1
MolPort-002-519-484 0.65 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCC1CO
MolPort-002-305-602 0.64 Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CN1CCOCC1
MolPort-000-704-782 0.64 CCCCCCC1CC(CN2CCOCC2)OC1=O
MolPort-000-704-499 0.64 O=C(OC1CN2CCC1CC2)C12CC3CC(CC(C3)C1)C2
MolPort-044-193-611 0.64 CC(=O)OC1C(CC2C3CCC4CC(OC(C)=O)C(CC4(C)C3CCC12C)N1CCCCC1)[N+]1(C)CCCCC1
MolPort-039-241-428 0.64 Cl.C1CC2(C1)CNC1COCC21
MolPort-002-513-705 0.64 COC(CNCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-046-689-638 0.64 CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]([C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1N1CCCCC1)N1CCCCC1
MolPort-002-513-534 0.64 COC(CN(C)CC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-002-514-466 0.64 CC(=O)OC1C(CC2C3CC[C@H]4C[C@H](OC(C)=O)C(C[C@]4(C)C3CC[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
MolPort-045-998-970 0.64 Cl.C1CC2(C1)CN[C@@H]1COC[C@H]21
MolPort-002-517-235 0.64 CCC(CO)NCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-006-392-364 0.64 Cl.CN1C2CC(CC1C1OC21)OC(=O)C(=C)C1=CC=CC=C1
MolPort-046-764-844 0.64 [Br-].CCCC[N@@]1(C)C2C[C@H](CC1[C@@H]1O[C@H]21)OC(=O)C(=C)C1=CC=CC=C1
MolPort-039-004-642 0.64 O=C1OC(CN2CCC3(C2)OCCO3)CC11CC1
MolPort-020-005-870 0.64 C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C
MolPort-002-512-487 0.64 CC12CC(CC(C)(C)C1)N(CC1[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC1=O)C2
MolPort-046-690-871 0.64 [Br-].CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@@H]3CC[C@]12C)N1CCCC1)[N+]1(CC=C)CCCC1
MolPort-046-764-500 0.64 [Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCC1)[N+]1(CC=C)CCCC1
MolPort-002-516-968 0.64 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCN1CCOCC1
MCULE-2631270846 0.64 Cl.Cl.N1(C)C2CCC1CC(OC(=O)CN1CCOCC1)C2
MCULE-9334536143 0.64 C12(CC3CC(CC(C3)C1)C2)C(=O)OC1C2CCN(CC2)C1
MCULE-8382857127 0.64 C1(=O)C(CCCCCC)CC(CN2CCOCC2)O1
MCULE-5308968730 0.64 CCOC(CC1(N2CCOCC2)CCCC1)=O
MCULE-5340701449 0.64 OC1CC(C(OC2CCC2)=O)CNC1
MCULE-1942783227 0.64 O(C(C)=O)[C@H]1[C@@H](C[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C[C@@H]([C@H](C[C@@H]3CC[C@@H]21)OC(C)=O)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
MCULE-6038866557 0.64 O(C(C)=O)[C@H]1[C@@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H]([C@@H](C[C@]4(C)[C@H]3CC[C@@]21C)N1CCCCC1)OC(C)=O)[N+]1(C)CCCCC1
MCULE-1360025512 0.64 CC(=O)O[C@H]1C[C@@]2([H])[C@]([C@@]3([C@](CC2)([H])[C@@]2([H])[C@]([C@@H]([C@H](C2)[N+]2(CCCCC2)C)OC(=O)C)(C)CC3)[H])(C)C[C@@H]1N1CCCCC1
MCULE-5690935213 0.64 CCC1C(NCC2(C3OCCCC3)CCC2)COCC1
MCULE-7460936458 0.64 OCC1(CCOCC1)CNC1C2(OCCC2)CCC1
MCULE-7267912606 0.64 Cl.C1CC2(C3C(COC3)NC2)C1
MCULE-4520566918 0.64 CC(O[C@@H]1[C@]2(C)[C@H]([C@H]3[C@H](CC2)[C@]2(C)[C@H](C[C@@H]([C@@H](N4CCCCC4)C2)OC(C)=O)CC3)C[C@@H]1[N+]1(CCCCC1)C)=O
MCULE-9173575364 0.64 [C@]12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](OC(C)=O)[C@@H](N5CCCCC5)C[C@]34C)[C@]1([H])C[C@H](N1CCCCC1)[C@@H]2OC(C)=O)[H]
MCULE-7428266389 0.64 C12(C)CCC3C(CCC4CC(C(N5CCCCC5)CC34C)OC(C)=O)C1CC([N+]1(CCCCC1)C)C2OC(C)=O
MCULE-1999705343 0.64 C[C@]12CC[C@]3([H])[C@]4(C[C@H](N5CCCCC5)[C@@H](OC(=O)C)C[C@]4([H])CC[C@@]3([H])[C@]1([H])C[C@H]([N+]1(CCCCC1)C)[C@@H]2OC(=O)C)C
MCULE-2929182809 0.64 C(C)(=O)OC1CC2(CCC3C4CC(C(C4(C)CCC3C2(C)CC1[N+]1(C)CCCCC1)OC(C)=O)[N+]1(C)CCCCC1)[H]
MCULE-6644198888 0.64 C[C@]12CC[C@@]3([H])[C@](CC[C@@]4([C@]3(C)C[C@H]([N+]3(CCCCC3)C)[C@@H](OC(=O)C)C4)[H])([H])[C@]1([H])C[C@H]([N+]1(CCCCC1)C)[C@@H]2OC(=O)C
MCULE-9845613461 0.64 C12(C)CCC3C(CC[C@@]4([H])C[C@@H](C(CC34C)[N+]3(CCCCC3)C)OC(C)=O)C1CC([N+]1(CCCCC1)C)C2OC(C)=O
MCULE-3084589589 0.64 [C@@]12([H])C[C@@H]([C@H](OC(=O)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C[C@@H]([C@@H](OC(=O)C)C[C@]3([H])CC[C@@]21[H])[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
MCULE-8422603639 0.64 O=C1C2(CC2)CC(CN2CC3(OCCO3)CC2)O1
MCULE-6411300566 0.64 N1CC(CC1CCC)OCC1CC1
MCULE-2538032722 0.64 N1CC(CC1CCCC)OCCCC
MCULE-2588146194 0.64 N1CC(CC1CC(C)C)OCC1CC1
MCULE-4983479865 0.64 N1CC(CC1CCCC)OCCC(C)C
MCULE-1952990449 0.64 N1CC(CC1CCCC)OCC(C)C
MCULE-5310775910 0.64 CC1CNC2C(C)C3(C(C)=C4C(C5C(C4)C4(C)C(CC(O)CC4)C(=O)C5)CC3)OC2C1
MCULE-7547702582 0.64 C1C[C@]2(C)[C@@]3([H])CC4=C(C)[C@]5([C@H](C)[C@]6([H])NC[C@@H](C)C[C@@]6([H])O5)CC[C@@]4([H])[C@]3([H])CC(=O)[C@@]2([H])C[C@H]1O
MCULE-6149459172 0.64 CC1C(N2C3C(C(O)=O)C(C3)C2)COC1
MCULE-5800547500 0.64 CC(O[C@@H]1C[C@H](NC2C3(OCCC3)CCC2)C1)C
MCULE-9067110082 0.64 C(C1OC1)CN1C2COCC1CC2
MCULE-4199903278 0.64 CCCC1C(N2CCC(=O)CC2)COC1
MCULE-2268593071 0.64 OC(C=CCN1C2C(COC2)CCC1)=O
MCULE-2252140912 0.64 OC(C(CN1C2C(COC2)CCC1)Cl)=O
MCULE-3606301433 0.64 [C@@]12([H])[C@H](OC(/C(/C)=C\C)=O)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
MCULE-3110627671 0.64 Cl.C12(CC3CC(CC(C3)C1)C2)C(=O)OC1C2CCN(CC2)C1
MCULE-8136172928 0.64 O=C1C2(NCCC2)CCO1
MCULE-8062912705 0.64 Cl.CCOC(CC1(N2CCOCC2)CCCC1)=O
MCULE-7505340622 0.64 OC1CC2(C3N(CCC3)CC2)OC1
MCULE-8944665314 0.64 C1(CCOC)(CCCN(CCOCC)C1)C(O)=O
MCULE-4619423063 0.64 C/C=C(\C)/C(=O)O[C@@H]1[C@H]2N(CC=C2COC(=O)[C@@]([C@H](C)O)(O)C(C)(O)C)CC1
MCULE-9812195195 0.64 [C@@]12([H])[C@H](OC(=O)/C(=C\C)/C)CCN1CC=C2COC([C@@](O)(C(O)(C)C)[C@@H](O)C)=O
MCULE-8649403820 0.64 [C@@]12([H])[C@H](OC(=O)/C(=C/C)/C)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
MCULE-3410400634 0.64 CC(C1OCCCN(C[C@@]2([C@@H](CC(O)=O)CCCC2)O)C1)C
MCULE-6419923595 0.64 [C@@]12([H])[C@@H](OC(/C(/C)=C\C)=O)CCN1CC=C2COC([C@](O)(C(O)(C)C)[C@@H](O)C)=O
MCULE-4411579160 0.64 O=C1CN(C2CC3(CCC3)OC2)CC1
MCULE-6806467693 0.64 CC1C(N2C(CC(O)=O)CCC2)COC1
MCULE-6555070159 0.64 C12(C)CCC3C(CCC4CC(C(N5CCCCC5)CC34C)OC(C)=O)C1CC([N+]1(CCCCC1)C)C2OC(C)=O.[Br-]
MCULE-4620550742 0.64 CNC1CC2(C3N(CCC3)CC2)OC1
MCULE-3471500785 0.64 O(C(C)=O)[C@H]1[C@@H](C[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)C[C@@H]([C@H](C[C@@H]3CC[C@@H]21)OC(C)=O)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1.[Br-].[Br-]
MCULE-3032025412 0.64 CC(=O)O[C@H]1C[C@@]2([H])[C@]([C@@]3([C@](CC2)([H])[C@@]2([H])[C@]([C@@H]([C@H](C2)[N+]2(CCCCC2)C)OC(=O)C)(C)CC3)[H])(C)C[C@@H]1N1CCCCC1.[Br-]
MCULE-5651247225 0.64 C(C)(=O)OC1CC2(CCC3C4CC(C(C4(C)CCC3C2(C)CC1[N+]1(C)CCCCC1)OC(C)=O)[N+]1(C)CCCCC1)[H].[Br-].[Br-]
MCULE-3173053871 0.64 C[C@]12CC[C@@]3([H])[C@](CC[C@@]4([C@]3(C)C[C@H]([N+]3(CCCCC3)C)[C@@H](OC(=O)C)C4)[H])([H])[C@]1([H])C[C@H]([N+]1(CCCCC1)C)[C@@H]2OC(=O)C.[Br-].[Br-]
MCULE-9314961625 0.64 NC1CC2(C3N(CCC3)CC2)OC1
MCULE-7004468628 0.64 [Br-].CC(O[C@@H]1[C@]2(C)[C@H]([C@H]3[C@H](CC2)[C@]2(C)[C@H](C[C@@H]([C@@H](N4CCCCC4)C2)OC(C)=O)CC3)C[C@@H]1[N+]1(CCCCC1)C)=O
MCULE-4735130727 0.64 CC(O[C@H]1[C@H]2CC[C@@H](OC(C)=O)[C@H](N2)CC1)=O
MCULE-7678112597 0.64 COC1(CCN(CC2OC3(CCCCC3)CC2)CC1)CO
MCULE-2510117782 0.64 COC(C(CC1CC1)CNC1COCC1)=O
MCULE-9073242213 0.64 C12(C)CCC3C(CC[C@@]4([H])C[C@@H](C(CC34C)[N+]3(CCCCC3)C)OC(C)=O)C1CC([N+]1(CCCCC1)C)C2OC(C)=O.[Br-].[Br-]
MCULE-6312793204 0.64 C[C@]12CC[C@]3([H])[C@]4(C[C@H](N5CCCCC5)[C@@H](OC(=O)C)C[C@]4([H])CC[C@@]3([H])[C@]1([H])C[C@H]([N+]1(CCCCC1)C)[C@@H]2OC(=O)C)C.[Br-]
MCULE-6774789628 0.64 [Br-].O(C(C)=O)[C@H]1[C@@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H]([C@@H](C[C@]4(C)[C@H]3CC[C@@]21C)N1CCCCC1)OC(C)=O)[N+]1(C)CCCCC1
MCULE-6012254067 0.64 [Br-].[Br-].[C@@]12([H])C[C@@H]([C@H](OC(=O)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)C[C@@H]([C@@H](OC(=O)C)C[C@]3([H])CC[C@@]21[H])[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
MolPort-002-524-540 0.64 CN(CC1OCCO1)CC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-000-824-776 0.64 OC(=O)C(O)=O.COC(CNCC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-002-516-445 0.64 CC1CN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC(C)O1
MolPort-046-025-019 0.64 [Li+].[O-]C(=O)C1CCN2CCOCC12
MolPort-002-513-596 0.64 COCCCNCC1[C@H]2CC3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-524-948 0.64 CC(C)CNCC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-020-093-965 0.64 Cl.CCOC(=O)CC1(CCCC1)N1CCOCC1
MolPort-027-874-768 0.64 CCOCCN1CCCC(CCOC)(C1)C(O)=O
MolPort-046-153-860 0.64 C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)C(O)([C@H](C)O)C(C)(C)O)[C@H]12
MolPort-046-153-857 0.64 C\C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)[C@H](C)O)[C@H]12
MolPort-002-524-386 0.64 C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCO
MolPort-046-153-856 0.64 C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)[C@H](C)O)[C@H]12
MolPort-046-153-854 0.64 C\C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)C(O)([C@H](C)O)C(C)(C)O)[C@H]12
MolPort-006-125-202 0.64 [Br-].[Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]([C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
MolPort-000-731-557 0.64 [Br-].[Br-].CC(=O)OC1C(CC2C3CC[C@H]4C[C@H](OC(C)=O)C(CC4(C)C3CCC12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
MolPort-009-758-006 0.64 [Br-].[Br-].CC(=O)OC1C(CC2C3CC[C@H]4C[C@H](OC(C)=O)C(C[C@]4(C)C3CC[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
MolPort-002-513-569 0.64 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCCC4CO)[C@H]3[C@@H]3O[C@]123
MolPort-003-983-449 0.64 [Br-].[Br-].CC(=O)OC1C(C[C@H]2C3CC[C@H]4C[C@H](OC(C)=O)C(CC4(C)[C@H]3CCC12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
MolPort-005-932-826 0.64 [Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1
MolPort-005-970-305 0.64 [Br-].CC(=O)OC1C(CC2C3CCC4CC(OC(C)=O)C(CC4(C)C3CCC12C)N1CCCCC1)[N+]1(C)CCCCC1
MolPort-003-938-961 0.64 [Br-].[Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]1(C)CCCCC1)[N+]1(C)CCCCC1
MolPort-003-983-469 0.64 [Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CCC12C)N1CCCCC1)[N+]1(C)CCCCC1
MolPort-044-544-810 0.64 [Br-].CC(=O)O[C@H]1[C@H](C[C@H]2C3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)C3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1
MolPort-046-762-541 0.64 [Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1
MolPort-044-750-007 0.64 COC(=O)C(CNC1CCOC1)CC1CC1
MolPort-044-456-874 0.64 COC1(CO)CCN(CC2CCC3(CCCCC3)O2)CC1
MolPort-002-516-159 0.63 CC(CO)(CO)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-044-616-494 0.63 C(C1CCCO1)C1COCCN1
MolPort-027-686-402 0.63 CCCCN1CCCCC1COC(C)=O
MolPort-006-126-310 0.63 CC(=C)C(=O)OC1CC(C)(C)NC(C)(C)C1
MolPort-002-522-866 0.63 CN(CC1OCCO1)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-009-149-229 0.63 CCOC(=O)C1CCCN(C1)C1CC(C)OC1=O
MolPort-028-902-124 0.63 CNC(=O)CCN1CCOC2CCC(CC12)OC
MolPort-002-532-582 0.63 CCOC(=O)C1CCCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-006-167-617 0.63 CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1
MolPort-039-321-416 0.63 CC(NC1CCOC1C1CC1)C(=O)OC(C)(C)C
MolPort-002-524-376 0.63 CO[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)C(\C)=C/C)[C@@H]12)C(C)(C)O
MolPort-046-153-846 0.63 CO[C@@H](C)C(O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)C(\C)=C/C)[C@@H]12)C(C)(C)O
MolPort-002-513-682 0.63 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCC4)[C@H]3[C@@H]3O[C@]123
MolPort-007-549-844 0.63 CCN(CC)CCC(=O)OC1CC2CCC(C1)N2C
MolPort-002-516-418 0.63 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN4CCOCC4)[C@H]3[C@@H]3O[C@]123
MolPort-000-917-848 0.63 CN1C2CCC1CC(C2)OC(=O)CCN1CCCCC1
MolPort-046-544-740 0.63 CC(C)OC1CCC(CC1)NC1CCOC11CCCC1
MolPort-000-917-846 0.63 CN1C2CCC1CC(C2)OC(=O)CCN1CCCC1
MolPort-002-532-538 0.63 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCC1
MolPort-046-153-837 0.63 C[C@@H]1C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@H](C)[C@@]1(C)O)[C@@H]23
MolPort-000-764-181 0.63 CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CN1CCCC1
MCULE-1869109464 0.63 OC(C1N(C2CC(C3CC3)OC2)CC1)=O
MCULE-5893495558 0.63 CCC1OCC2(C(C(OC)=O)CNC2)C1
MCULE-4048536115 0.63 [N+]1(CC=C)([C@H]2C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@H]2OC(=O)C)CCCC1.[Br-]
MCULE-5938248946 0.63 O1CCN([C@H]2C[C@]3(C)[C@@]4([H])CC[C@]5(C)[C@@H](OC(C)=O)[C@@H]([N+]6(CC=C)CCCC6)C[C@@]5([H])[C@]4([H])CC[C@@]3([H])C[C@@H]2O)CC1.[Br-]
MCULE-5578488555 0.63 C1(N2CCOCC2)(CC2C(C)(C)C1(C)CC2)C(CN)C(OCC)=O
MCULE-3284184637 0.63 C12(CCC(C(=O)O1)(C)C2(C)C)C(NCCCOC)=O
MCULE-4743290449 0.63 C[C@@]12[C@@H](OC(=O)C)[C@@H]([N+]3(CCCC3)CC=C)C[C@@]1([H])[C@]1([H])CC[C@@]3([H])C[C@H](OC(=O)C)[C@@H](N4CCC5(OCCO5)CC4)C[C@]3(C)[C@@]1([H])CC2.[Br-]
MCULE-6679878832 0.63 CCOC(C(C1COCCC1)NCC1CCNCC1)=O
MCULE-6287462592 0.63 CCNC1CC(C2CCOCC2)OC1
MCULE-7481271494 0.63 C(=O)(C(C)=C)OC1CC(C)(C)NC(C)(C)C1
MCULE-3198469856 0.63 C(C1OC1)CN1C2C(COC2)CCC1
MCULE-3598679265 0.63 OC1CC(C2OCCC2)NC1
MCULE-1994729123 0.63 C1CC[N+](CC1)(C)CCOCC1CCC[N+]2(CCCCC21)C
MCULE-3107680235 0.63 CCCCN1C(COC(C)=O)CCCC1
MCULE-5224497928 0.63 CC1(NCCOC1)CC1OCCC1
MCULE-7042550983 0.63 CCC1(COC1)CNC1C2(OCCC2)CCC1
MCULE-7182193529 0.63 O1CCN([C@H]2C[C@]3(C)[C@@]4([H])CC[C@]5(C)[C@@H](OC(C)=O)[C@@H]([N+]6(CC=C)CCCC6)C[C@@]5([H])[C@]4([H])CC[C@@]3([H])C[C@@H]2O)CC1
MCULE-4942345876 0.63 C1(CCCCC1)(N1CCOCC1)C(CN)C(OCC)=O
MCULE-8339569500 0.63 CC(OC1C2(C)C(C3C(CC2)C2(C)C(CC(C(N4CCOCC4)C2)O)CC3)CC1[N+]1(CCCC1)CC=C)=O
MCULE-9973484779 0.63 C1(CCCC1)(N1CCOCC1)C(CN)C(OCC)=O
MCULE-5533307091 0.63 [N+]1(CC=C)([C@H]2C[C@@]3([H])[C@]4([H])CC[C@@]5([H])C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@H]2OC(=O)C)CCCC1
MCULE-5918538412 0.63 CCOC(C1CN(C2C(=O)OC(C)C2)CCC1)=O
MCULE-7613661425 0.63 CNC(CCN1C2C(CCC(OC)C2)OCC1)=O
MCULE-7228742209 0.63 C[C@@]12[C@@H](OC(=O)C)[C@@H]([N+]3(CCCC3)CC=C)C[C@@]1([H])[C@]1([H])CC[C@@]3([H])C[C@H](OC(=O)C)[C@@H](N4CCC5(OCCO5)CC4)C[C@]3(C)[C@@]1([H])CC2
MCULE-9901076880 0.63 NC(CCN1C2C(COC2)CCC1)=O
MCULE-9035154032 0.63 CC(C(O)=O)(CN1C2COCC1CC2)O
MCULE-2775982131 0.63 CC(C(OC(C)(C)C)=O)NC1C(C2CC2)OCC1
MCULE-8076139844 0.63 O=C1C2(CCCNC2)CC(C)(C)O1
MCULE-8376180177 0.63 OC(C(O)=O)CN1C2COCC1CC2
MCULE-8140520387 0.63 CN1CC(OC(C2CCCCC2)=O)CCC1
MCULE-9825758758 0.63 CC1C(N2CCCC2)(CC(O)=O)COC1
MCULE-2185301863 0.63 [C@@]12([H])[C@@H](OC(=O)/C(=C\C)/C)CCN1CC=C2COC([C@@](O)(C(O)(C)C)[C@@H](OC)C)=O
MCULE-3534041226 0.63 CC(OC1CCC(NC2C3(CCCC3)OCC2)CC1)C
MCULE-5328556833 0.63 N1(C)C2CCC1CC(OC(=O)CCN1CCCCC1)C2
MCULE-2051357904 0.63 CCNC1CC(C2COCC2)(C)OC1
MCULE-9312333238 0.63 CCNC1CC(C2COCC2)OC1
MCULE-1664693430 0.63 OC(CCN1C2C(CCCC2)OCC1)=O
MCULE-4659933370 0.63 [NH+]1(C)C2CCC1CC(OC(=O)CC[NH+](CC)CC)C2
MCULE-7545978849 0.63 N1(C)C2CCC1CC(OC(=O)CCN1CCCC1)C2
MCULE-9663035334 0.63 C1(CN2CCCC2)C2CC3C(CCCC3(CC2OC1=O)C)=C
MCULE-2169681786 0.63 C[C@H]1O[C@@H]2[C@@H](N[C@H](C(O)=O)C2)C1
MCULE-1427730692 0.63 [C@@H]1(C)[C@@](C)(O)[C@H](C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
MCULE-5519103580 0.63 C(O)(=O)CCC(OCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O)=O
MCULE-2716731870 0.63 CC1C(NC2CC(C3CC3)OC2)C1
MCULE-6571690696 0.63 N1CC(CC1CC(C)C)OCCC
MCULE-6811276208 0.63 N1CC(CC1CCC)OCCC
MCULE-7721675462 0.63 C1C(NC2CC(C3CC3)OC2)C1
MCULE-6109365461 0.63 N1CC(CC1CCC)OCCCC
MCULE-9543210461 0.63 CCNC1CC(C2C(C)(C)C2)(C)OC1
MCULE-9343673464 0.63 N1CC(CC1CCC)OCC(C)C
MCULE-7830801266 0.63 CC1(C(NC2CC(C3CC3)OC2)C1)C
MCULE-5145679118 0.63 N1CC(CC1CC(C)C)OCCC(C)C
MCULE-6458218533 0.63 N1CC(CC1CC(C)C)OCCCC
MCULE-9256597558 0.63 N1CC(CC1CCC)OCCC(C)C
MCULE-4112086187 0.63 CCNC1CC(C2C(C)C2)(C)OC1
MCULE-6701081181 0.63 N1CC(CC1CC(C)C)OCC(C)C
MCULE-2041453746 0.63 NC(C(O)=O)CN1C2C(COC2)CCC1
MCULE-5878259061 0.63 OC1CC2(C3N(CCCC3)CC2)OC1
MCULE-6180378660 0.63 Cl.O=C1C2(NCCC2)CCO1
MCULE-8294418059 0.63 CC1OC(CCC(NC2(COCC2)CC(=O)O)=O)CC1
MCULE-3796927397 0.63 CC(OC(C1CC(O)CNC1)=O)(C)C
MCULE-3893708934 0.63 C1NCC(O)CC1C(OCC)=O
MCULE-5952449029 0.63 Cl.CC(O[C@H]1[C@H]2CC[C@@H](OC(C)=O)[C@H](N2)CC1)=O
MCULE-7303283647 0.63 COC(C1(CCCCC1)CNC1COCC1)=O
MCULE-9091644786 0.63 CC(OC(C1CC(O)CNC1)=O)C
MCULE-6164316229 0.63 N1(CCOCC1CC(OC)=O)C1CCCC1
MCULE-6533970583 0.63 NC1CC2(C3N(CCCC3)CC2)OC1
MCULE-7995329262 0.63 CCOC(CNC(C1COCCC1)C)=O
MCULE-9293930844 0.63 CCCCCCCCCCOC(C[N+](CC1C(O)CCCC1)(C)C)=O
MCULE-3336556685 0.63 COC(C(CNC(C1OCCC1)C)(O)C)=O
MCULE-8185370221 0.63 OC(C1(CN(CC2OC3(CCCCC3)CC2)CC1)CF)=O
MCULE-6204653255 0.63 CCCN(CC1OCCCC1)CCC(=O)O
MCULE-9331329328 0.63 CC(C1OCC2(NCC2)C1)C
MCULE-9896716408 0.63 COC1CC2C(OCCN2CCCCCO)CC1
MCULE-1088916073 0.63 CCC1OCC(N2CC(C(O)=O)C2)C1
MCULE-9260737036 0.63 OC1CC(C2OCCCC2)NC1
MCULE-8079957730 0.63 CCC1OCC(N2CC(C(O)=O)(C)C2)C1
MCULE-4796512058 0.63 OCC1N(CC2OC3(CCCCC3)CC2)CC(O)C1
MCULE-1882683563 0.63 CCCC1C2(NCC2)COC1
MCULE-1780570632 0.63 CC(C1OCC(N2CC(C(O)=O)C2)C1)C
MCULE-2954544786 0.63 C1C(C2OCC3(NCC3)C2)C1
MCULE-1887790567 0.63 C(OC)(=O)CC(C)NCC1CCCO1
MCULE-6545120249 0.63 CCCNC1CC2(C3C(C3)CC2)OC1
MCULE-2715166542 0.63 [N+]12(CCCCCCCC)CCC(C(OC(C)=O)C1)CC2
MCULE-5172488647 0.63 C1CC[N+](CC1)(C)CCOCC1CCC[N+]2(CCCCC21)C.[I-].[I-]
MCULE-9242635222 0.63 C(C1OCCC1)CN1C2(CCCCC2)COCC1
MCULE-6856639774 0.63 CCC1OCC2(NCC2)C1
MCULE-6922215073 0.63 CC(OC1C2(C)C(C3C(CC2)C2(C)C(CC(C(N4CCOCC4)C2)O)CC3)CC1[N+]1(CCCC1)CC=C)=O.[Br-]
MolPort-002-513-375 0.63 C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCCC1
MolPort-002-513-573 0.63 CC1CCCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-513-636 0.63 CC1(C)CCCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-046-597-755 0.63 CC1(C)CCCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-028-935-912 0.63 Cl.O=C1OCCC11CCCN1
MolPort-002-513-444 0.63 CC1CCCCN1CC1[C@H]2CC3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-523-814 0.63 CC1CCN(CC2[C@H]3C[C@H]4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-002-513-775 0.63 CC1CCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-039-081-713 0.63 CCOC(=O)CNC(C)C1CCCOC1
MolPort-032-478-122 0.63 COC(=O)C(C)(O)CNC(C)C1CCCO1
MolPort-029-702-303 0.63 CCOC(=O)C1CNCC(O)C1
MolPort-030-018-789 0.63 COC(=O)C1(CNC2CCOC2)CCCCC1
MolPort-046-729-978 0.63 Cl.CC(=O)O[C@@H]1CC[C@H]2N[C@@H]1CC[C@H]2OC(C)=O
MolPort-046-788-534 0.63 CC1C(=O)OCC2CC[N+]3([O-])CCC(OC(=O)C(C)(O)C1(C)O)C23
MolPort-029-909-821 0.63 COC1CCC2OCCN(CCCCCO)C2C1
MolPort-003-850-201 0.63 [Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1
MolPort-046-793-020 0.63 [Br-].CC(=O)O[C@H]1C[C@H]2CC[C@H]3[C@H]4C[C@@H]([C@H](O)[C@@]4(C)CC[C@H]3[C@@]2(C)C[C@@H]1N1CCOCC1)[N+]1(CC=C)CCCC1
MolPort-038-987-869 0.63 OCC1CC(O)CN1CC1CCC2(CCCCC2)O1
MolPort-046-654-017 0.63 COC1(CNCC(C1)C(=O)OC(C)(C)C)OC
MolPort-046-688-760 0.63 [Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1
MolPort-046-418-862 0.63 [Br-].CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCC2(CC1)OCCO2)[N+]1(CC=C)CCCC1
MolPort-046-664-176 0.63 CCOC(=O)C1CNCC(C1)(OC)OC
MolPort-000-719-198 0.63 [I-].[I-].C[N+]1(CCOC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)CCCCC1
MolPort-042-809-595 0.63 C(CN1CCOCC11CCCCC1)C1CCCO1
MolPort-046-688-761 0.63 [Br-].CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4C[C@@H]([C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1N1CCOCC1)[N+]1(CC=C)CCCC1
MolPort-000-183-959 0.63 COCCCNC(=O)C12CCC(C)(C(=O)O1)C2(C)C
MolPort-004-007-120 0.63 Cl.CN1CCCC(C1)OC(=O)C1CCCCC1
MolPort-008-346-707 0.62 C[C@@H]1C[C@H]2C(CN3CCC(C)CC(C)(C)C3)C(=O)O[C@@H]2C2[C@@H]3O[C@]3(C)CC[C@@H]12
MolPort-039-169-729 0.62 CCOCCN1CCCC1C1COCCC1(C)O
MolPort-046-510-823 0.62 Cl.C[C@@H]1C[C@@H]2N[C@@H](C[C@@H]2O1)C(O)=O
MolPort-039-124-585 0.62 O=C(NCC1CCC2(CCNCC2)O1)C1CCOCC1
MolPort-002-511-467 0.62 CC12CC(CC(C)(C)C1)N(CC1[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC1=O)C2
MolPort-038-419-980 0.62 COCC1(CCC1)C(=O)N[C@@H]1COCC[C@@H]1OCC=C(C)C
MolPort-006-128-894 0.62 CN1C(C)(C)CC(CC1(C)C)OC(=O)C=C
MolPort-009-562-999 0.62 COC(=O)CCN(C)CC1CCCO1
MolPort-009-757-940 0.62 Cl.CC1CCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-002-513-365 0.62 CC(NCC1[C@H]2CC3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)C1C2CC3CC2CCC1C3
MolPort-002-514-079 0.62 CC(C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-006-702-870 0.62 COC(=O)CCNCC1CCCO1
MolPort-002-514-968 0.62 CC(C)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-007-980-927 0.62 CC(C)(C)C(=O)OCC1CCC[N+]2(C)CCCCC12
MolPort-002-723-642 0.62 COCCN1CCC(OC(C)=O)C(C)C1C
MolPort-002-513-415 0.62 CC(C)(C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-000-698-703 0.62 CC(C)(C)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-002-521-989 0.62 CC1CN(CC2[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)O[C@H]5[C@]34OC2=O)CC(C)O1
MolPort-046-153-830 0.62 C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)C1=C)[C@@H]23
MolPort-002-513-380 0.62 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCCO)[C@H]3[C@@H]3O[C@]123
MolPort-042-603-453 0.62 CCCCCCC(O)(CN1CCOC2(CCOCC2)C1)C(=O)OC
MolPort-002-513-462 0.62 CC(C)CNCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-020-394-590 0.62 Cl.CCOC(=O)C1CNCC(O)C1
MolPort-035-743-446 0.62 CCCOC(=O)C(C)N1C2CCC1CC(O)C2
MolPort-003-355-621 0.62 [Cl-].CCCCCCCCCCOC(=O)C[N+](C)(C)CC1CCCCC1O
MolPort-045-927-804 0.62 CC12CC3CC(C)(C1)CC(C3)(C2)OCCNC(=O)C1CC(=O)OC11CCCC1
MolPort-001-846-690 0.62 O=C(CCN1CCOCC1)OC1CC2CCC(C1)N2CCC1=CC=CC=C1
MolPort-041-712-150 0.62 OC(=O)CC1COCCN1C(=O)C1CC2CCC1O2
MolPort-002-515-528 0.62 C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(CN3CCCC3)[C@@H]2CCC1=C
MCULE-5638188889 0.62 CC1N(C2CC2)CC2(OCC(O)C2)C1
MCULE-4619938337 0.62 CC1OCCCN(C[C@@]2([C@@H](CC(O)=O)CCCC2)O)C1
MCULE-7911238818 0.62 OC(C1C(N2C3COCC2CC3)CC1)=O
MCULE-1848071026 0.62 Cl.CN1CC(OC(C2CCCCC2)=O)CCC1
MCULE-4097981374 0.62 COC(C(N1C2C(COC2)CCC1)C)=O
MCULE-1282488725 0.62 CC1OCC(N2CCCC2)(CC(O)=O)C1
MCULE-9542918802 0.62 O=C1CC(N2C3C(COC3)CCC2)CC1
MCULE-5294346427 0.62 N1([C@@H]2CCCCCCCC(=O)O[C@H]3CC[C@@H](CCCCCCCC(=O)O[C@@H](CC2)[C@@H]1C)N([C@H]3C)C(C)=O)C(C)=O
MCULE-9160770938 0.62 C(C1CCOCC1)(=O)NCC1CCC2(CCNCC2)O1
MCULE-2724247327 0.62 Cl.C[C@H]1O[C@@H]2[C@@H](N[C@H](C(O)=O)C2)C1
MCULE-6517768450 0.62 CCC1C(N2CC(C(O)=O)CC2)COC1
MCULE-4735235662 0.62 [Cl-].[Cl-].[NH+]1(C)C2CCC1CC(OC(=O)CC[NH+](CC)CC)C2
MCULE-5721445773 0.62 [Cl-].[Cl-].[NH+]1(C)C2CCC1CC(OC(=O)CC[NH+]1CCCCC1)C2
MCULE-5039704962 0.62 CC1OCC(N2CC(C(O)=O)C2)CC1
MCULE-5265450461 0.62 CCOCCN1C(C2C(O)(C)CCOC2)CCC1
MCULE-7563320422 0.62 CC1OCC(N2CC(C(O)=O)(C)C2)CC1
MCULE-8968556452 0.62 CC1N(C2CC2)CC2(OCC(N)C2)C1
MCULE-7023574052 0.62 [NH+]1(C)C2CCC1CC(OC(=O)CC[NH+]1CCCC1)C2.[Cl-].[Cl-]
MCULE-4314679873 0.62 N1(C)C2CCC1CC(OC(=O)CCN1CCCCCC1)C2
MCULE-4440841937 0.62 CCNC1CC2(CCOCCC2)OC1
MCULE-7658047731 0.62 CCN1C(CC(N2C3C(COCC3)CCC2)=O)COCC1
MCULE-4320764047 0.62 C(=O)(N[C@@H]1COCC[C@@H]1OC/C=C(\C)/C)C1(CCC1)COC
MCULE-1785033668 0.62 OC(CC1(NC(CCC2OCCCC2)=O)COCC1)=O
MCULE-6447820968 0.62 COC(C1C2(COC(C)CC2)CNC1)=O
MCULE-1177941465 0.62 N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)(C)C
MCULE-7290864990 0.62 C1C(C2OCC(NC3CCCC3)C2)C1
MCULE-4835828161 0.62 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(C(C)C)=O)C
MCULE-9057047804 0.62 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)(C)C)C
MCULE-9648704434 0.62 C(C1CC1)NC1CC2(CCC2)OC1
MCULE-4542579395 0.62 N1(C)C(C)(C)CC(CC1(C)C)OC(=O)C=C
MCULE-2231179132 0.62 C(OC)(=O)C(C)CNCC1CCCO1
MCULE-2976523514 0.62 CC(C1CC1)NC1CC2(CCC2)OC1
MCULE-6679332719 0.62 C1CC2C(CCCN2CC1)COC(C(C)C)=O
MCULE-4686039959 0.62 CCCNC1CC2(C(C)CC2)OC1
MCULE-7940961559 0.62 COC(CCN(CC1OCCC1)C)=O
MCULE-1093897090 0.62 C1C(NC2CC3(CCC3)OC2)C1
MCULE-3102142398 0.62 C1CC2C(CCC[N+]2(C)CC1)COC(=O)C(C)(C)C
MCULE-1128403295 0.62 CCCNC1CC2(CC(C)CC2)OC1
MCULE-5679219168 0.62 CC1CC(NC2CC(C3CC3)OC2)C1
MCULE-9134171123 0.62 OC[C@H]1N[C@@H]2[C@@H](OCC2)C1
MCULE-9673342375 0.62 C1C(C2OCC(NC3COCC3)C2)C1
MCULE-2807147539 0.62 CCCNC1CC2(CCCCC2)OC1
MCULE-3740612761 0.62 CCCNC1CC2(C(C)CCC2)OC1
MCULE-7322869521 0.62 CCCNC1CC2(C(C)C(C)C2)OC1
MCULE-6561799918 0.62 C1C(C2OCC(NC3CCC3)C2)C1
MCULE-6967478138 0.62 OC1CC(NC2CC(C3CC3)OC2)C1
MCULE-4147899394 0.62 CCCNC1CC2(CCCC2)OC1
MCULE-2760624578 0.62 COC(CCNCC1OCCC1)=O
MCULE-7601225975 0.62 CC(CC1C(N[C@@H]2CC[C@H](O)CC2)COC1)C
MCULE-3692628267 0.62 CCCNC1CC2(C(C)(C)CC2)OC1
MCULE-8063754314 0.62 C1CC2C(CCC[N+]2(C)CC1)COC(C(C)C)=O
MCULE-1336857661 0.62 C1(C)C(CCN(CCOC)C1C)OC(C)=O
MCULE-8468143156 0.62 CC1C(NC2CC(C3CC3)OC2)CC1
MCULE-4162384918 0.62 CCCCCCC(C(OC)=O)(CN1CC2(CCOCC2)OCC1)O
MCULE-2020707174 0.62 O=C(C1CN(C2COCC2)C1)NC1C2C(OCC2)CCC1
MCULE-7853598453 0.62 C1(=C)[C@H](C)[C@@H]([C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
MCULE-2337180233 0.62 CCOC1C2(CCCCC2)C(NCC(OCC)=O)C1
MCULE-8420582011 0.62 Cl.C1NCC(O)CC1C(OCC)=O
MCULE-9573165602 0.62 CCCC1C(N2CC(=O)CC2)COC1
MCULE-8859947489 0.62 CCCOC(C(N1C2CC(CC1CC2)O)C)=O
MCULE-3072912268 0.62 [Cl-].CCCCCCCCCCOC(C[N+](CC1C(O)CCCC1)(C)C)=O
MCULE-2103412004 0.62 C12(CCCNC1)CCOC2=O
MCULE-6680430847 0.62 CC1OCC(N2CC(C(O)=O)CC2)CC1
MCULE-5884542539 0.62 CC1C(OCCN2CC(C(=O)O)CCC2)CCCC1
MCULE-6467390506 0.62 OC(CC1N(C(C2C3OC(CC3)C2)=O)CCOC1)=O
MCULE-3157747654 0.62 C1(CC(OC21CCCC2)=O)C(NCCOC12CC3CC(CC(C3)(C)C1)(C)C2)=O
MCULE-8605790063 0.62 N1(CCC2=CC=CC=C2)C2CCC1CC(C2)OC(=O)CCN1CCOCC1
MCULE-3857064447 0.62 [C@@H]1(C)[C@H](C)[C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
MCULE-8339457270 0.62 C1(C)C(C)C(C(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
MCULE-7385234822 0.62 C1(=O)OC2C(CC3C(C)(CCCC3=C)C2)C1CNCCCCCCCCCCCCCCCCCC
MCULE-7417710879 0.62 N1[C@]2([H])CCC[C@H](O)[C@]2(C[C@H]1C(OCC)=O)[H]
MCULE-7478824453 0.62 C1(=O)OC2C(CC3C(C)(CCCC3=C)C2)C1CNCC1C2CC3C(CCCC3(CC2OC1=O)C)=C
MCULE-6991743536 0.62 C1(CCCCC1)(N1CCOCC1)C(N)C(OCC)=O
MCULE-7345420686 0.62 N1[C@]2([H])CCC[C@H](O)[C@@]2(C[C@H]1C(OCC)=O)[H]
MCULE-4971219248 0.62 C1(CCCC1)(N1CCOCC1)C(N)C(OCC)=O
MCULE-4529653783 0.62 C1(=O)C2[C@@]([H])(CC[C@@]3([C@H](C)[C@]4([H])NC[C@@H](C)C[C@@]4([H])O3)C=2C)[C@@]2([H])[C@@]1([H])[C@@]1(C)CC[C@H](O)CC1=CC2
MCULE-7097217826 0.62 C1C[C@]2(C)[C@@]3([H])C(=O)C4=C(C)[C@]5([C@H](C)[C@]6([H])NC[C@@H](C)C[C@@]6([H])O5)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1O
MCULE-8412061145 0.62 C12(CCC3C(C(=O)C4C3CC=C3CC(O)CCC43C)=C1C)C(C)C1C(CC(CN1)C)O2
MCULE-7762793948 0.62 C(N1C2C(CCCC2)OCC1)C1COCC1
MCULE-3876120526 0.62 COCC(C1CC1)NC1C2(CCC2)C2C1CCO2
MCULE-7245299455 0.62 CC1(C2C(COCC(CN3CCC4(C(=O)OCC4)CC3)O)=CCC1C2)C
MCULE-4050649236 0.62 CC12OCC(C1)(CN1CC(C3CCC3)COCC1)C2
MCULE-9648417114 0.62 CCCN(CC1OCCCC1)CCC(=O)O.Cl
MCULE-6224989776 0.62 [N+]12(CCCCCCCC)CCC(C(OC(C)=O)C1)CC2.[Br-]
MCULE-4721633162 0.62 CC1(C2C(CCO2)C1NC1C(C)(C)OC(C)(C)C1)C
MCULE-6412196554 0.62 C1C2[C@@]([H])(CC[C@@]3([C@H](C)[C@]4([H])NC[C@@H](C)C[C@@]4([H])O3)C=2C)[C@@]2([H])[C@@]1([H])[C@@]1(C)CC[C@H](O)CC1=CC2
MCULE-1118569497 0.62 C1CC2C(CCC[N+]2(CC1)C)COC(C)C[N+]1(C)CCOCC1
MCULE-6048074824 0.62 O[C@H]1CC[C@@]2(C)C(=CC[C@]3([C@@]4([H])C(=C([C@@]5(CC4)[C@H](C)[C@@]4(NC[C@H](C[C@@]4([H])O5)C)[H])C)C[C@@]32[H])[H])C1
MCULE-9284040229 0.62 CCOC1C(C(N2C(C3C(O)CCCC3)COCC2)=O)C1
MCULE-7946662537 0.62 CCN1C(CC(NC2CC(C3CC3)OCC2)=O)COCC1
MCULE-2675366734 0.62 C(C1CCCCC1)(C(OCC)=O)C(=O)NCC1CCCO1
MCULE-4284231660 0.62 O=C(NC1C2C(OCC2)CCC1)CC1NCCOC1
MCULE-1127804655 0.62 CC1OCC(N2C3C(C(O)=O)C(C3)C2)C1
MCULE-4308297259 0.62 C12(C(OC(C)(C)C)=O)C(CO)C(CC1)CNC2
MCULE-6995197965 0.62 CCC(C(OC)=O)NC1C(C)(C)C2C1CCO2
MCULE-2572906487 0.62 N1C(CCCC)CC(OC(C)C)C1
MCULE-4699380406 0.62 N1CC(CC1CCCC)OCC
MCULE-7297585645 0.62 CCNC1CC(C2(CC2)C)(C)OC1
MCULE-4606865977 0.62 CC(NC1CC(C2CC2)OC1)C
MCULE-3506382750 0.62 CCNC1CC(C2CC2)(C)OC1
MCULE-9241201041 0.62 CCNC1CC(C2CC2)OC1
MCULE-6957071691 0.62 COC([C@H]1[C@@H]2[C@@H](CNC2)OC1)=O
MCULE-6766498249 0.62 C12CCC([NH+]1C)CC(C2)OC(=O)C[NH+]1CC[NH+](C)CC1
MCULE-1970230682 0.62 O1CC(CC21CCCCC2)NC(CCC(O)=O)=O
MCULE-1672286685 0.62 COC(C(CCN1CC(C2OCCC2)OCC1)(C)C)=O
MCULE-8302298279 0.62 CCNC1CC2(CN(C)CCC2)OC1
MCULE-5912075643 0.62 C1CC2C(CCCN2CC1)COC(=O)C1CCCNC1
MCULE-6730940245 0.62 CC(N1C2(COCC2)CCC1)C=O
MCULE-1752229824 0.62 C1CC2C(CCC[N+]2(C)CC1)COC(C1CCNCC1)=O
MCULE-3583835501 0.62 CC1C(OCCN2CC(C(=O)O)CC2)CCCC1
MCULE-3087496294 0.62 OCC1(NCC2OC3(CCC3)CC2)COCC1
MCULE-4487781619 0.62 CC1C(OCCN2CC(C(=O)O)(C)CC2)CCCC1
MCULE-2376669005 0.62 N1(C)C2CCC1CC(OC(=O)CCN1CCCCCC1)C2.Cl.Cl
MCULE-4259317501 0.62 N1(CCOCC1CC(O)=O)C1CCCCC1
MCULE-4831473174 0.62 CCOC(C1CN(CCOC)CCC1)=O
MCULE-1241263810 0.62 C1C(C2OCC3(NCCOC3)C2)C1
MCULE-4015820533 0.62 OC([C@@]12CCOC[C@@H]1CN(C(COCC1CC1)=O)C2)=O
MCULE-1976517366 0.62 CC1C(C)C(NC(COC(C2CN(C(C)=O)CCC2)=O)=O)CCC1
MCULE-8134142567 0.62 COC(C1C2(CNCC2)OCC1O)=O
MCULE-4300429692 0.62 C1(=C/C)\C[C@@H]([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
MCULE-1599397850 0.62 C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
MCULE-7953027857 0.62 C1(CN2CC[NH+](CCOCCO)CC2)C2CC3C(C)(CCCC3=C)CC2OC1=O
MCULE-5958737035 0.62 CCOC(C1C2(CC(C)OC2)CNC1)=O
MCULE-2046233584 0.62 COC(C1N(CCC2OCCCC2)C2C(CCCC2)C1)=O
MCULE-2112951562 0.62 CC(C1OCC2(C(C(O)=O)CNC2)C1)C
MCULE-2275165086 0.62 CCC1OCC2(C(C(O)=O)CNC2)C1
MCULE-5989447169 0.62 OC(C1C2(CC(C3CC3)OC2)CNC1)=O
MCULE-9273757492 0.62 CCCC1C2(C(C(O)=O)CNC2)COC1
MCULE-9230891451 0.62 CCC1C2(C(C(OC)=O)CNC2)COC1
MCULE-9402104350 0.62 COC(C1C2(C(C)C(C)OC2)CNC1)=O
MCULE-3620950411 0.62 C1(CC(OC21CCCC2)=O)C(=O)N1CCC2(CC1)CN(CCO2)CC1CC1
MolPort-046-153-838 0.62 CC1C(C)C(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)C1C)[C@@H]23
MolPort-002-516-887 0.62 CC(C)CCCC(C)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-046-153-839 0.62 C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-002-509-502 0.62 CCCCCCCCCCN(CCCCCCCCCC)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-001-990-091 0.62 CC1C2NCC(C)CC2OC11CCC2C3CC=C4CC(O)CCC4(C)C3C(=O)C2=C1C
MolPort-019-936-979 0.62 C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3C(=O)C2=C1C
MolPort-003-873-278 0.62 C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C
MolPort-002-943-781 0.62 CC(=O)OC(COC1CC2CCC1(C)C2(C)C)C[N+]1(C)CCCCC1
MolPort-002-523-538 0.62 C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCO
MolPort-000-766-316 0.62 CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CNCC1C2CC3C(=C)CCCC3(C)CC2OC1=O
MolPort-044-754-091 0.62 C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C
MolPort-035-765-810 0.62 C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C
MolPort-038-387-114 0.62 CCOC(=O)[C@@H]1C[C@@H]2[C@@H](CCC[C@@H]2O)N1
MolPort-002-513-921 0.62 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNC1CCCCC1
MolPort-038-387-111 0.62 CCOC(=O)[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2O)N1
MolPort-002-511-035 0.62 CCCCCCCCCCCCCCCCCCNCC1C2CC3C(=C)CCCC3(C)CC2OC1=O
MolPort-002-513-672 0.62 CC(C)CNCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-513-714 0.62 CCC(C)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-514-462 0.62 CC(C[N+]1(C)CCOCC1)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-038-960-610 0.62 COCC(NC1C2CCOC2C11CCC1)C1CC1
MolPort-003-983-744 0.62 C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C
MolPort-028-773-292 0.62 CC1(C)C(NC2CC(C)(C)OC2(C)C)C2CCOC12
MolPort-027-941-621 0.62 C(C1CCOC1)N1CCOC2CCCCC12
MolPort-006-717-250 0.62 CC1C2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C
MolPort-009-683-946 0.62 CC1C2NCC(C)CC2OC11CCC2C3CC=C4CC(O)CCC4(C)C3CC2=C1C
MolPort-044-754-087 0.62 C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C
MolPort-038-957-528 0.62 Cl.CCCN(CCC(O)=O)CC1CCCCO1
MolPort-002-516-627 0.62 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCN(CCO)CCO
MolPort-001-986-464 0.62 CCOC(=O)C(C1CCCCC1)C(=O)NCC1CCCO1
MolPort-044-806-433 0.62 CCOC1CC1C(=O)N1CCOCC1C1CCCCC1O
MolPort-039-138-404 0.62 CC(C)(C)OC(=O)C12CCC(CNC1)C2CO
MolPort-039-227-857 0.62 CCC(NC1C2CCOC2C1(C)C)C(=O)OC
MolPort-002-528-372 0.62 CCOC(=O)C1CCCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-508-685 0.62 C[C@@H]1C[C@@H]2OC(=O)C(CN3CCCC3)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)C12
MolPort-042-630-698 0.62 OC(=O)CCC(=O)NC1COC2(C1)CCCCC2
MolPort-035-751-382 0.62 COC(=O)C(C)(C)CCN1CCOC(C1)C1CCCO1
MolPort-019-643-347 0.62 CC1CCCC(NC(=O)COC(=O)C2CCCN(C2)C(C)=O)C1C
MolPort-009-144-879 0.62 CCOC(=O)C1CCCN(CCOC)C1
MolPort-002-085-765 0.62 Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CCN1CCCCCC1
MolPort-041-779-177 0.62 OC(=O)[C@]12CN(C[C@H]1COCC2)C(=O)COCC1CC1
MolPort-046-419-874 0.62 CN1CCC2(CN[C@@H]3COC[C@H]23)CC1
MolPort-046-419-995 0.62 CCN1CC2(CCNCC2)[C@@H]2COC[C@H]12
MolPort-003-927-243 0.62 C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-046-764-808 0.62 [2H]C([2H])([2H])[C@@]1(O)[C@H](C)C\C(=C/C)C(=O)O[C@@H]2CCN3CC=C(COC1=O)[C@H]23
MolPort-039-338-345 0.62 C\C=C1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-046-692-000 0.62 C\C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-002-522-592 0.62 C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CCOCCO)CC1
MolPort-030-019-047 0.62 COC(=O)C1CC2CCCCC2N1CCC1CCCCO1
MolPort-002-532-325 0.62 CCOC(=O)C1CCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-045-951-541 0.62 O=C(C1CC(=O)OC11CCCC1)N1CCC2(CC1)CN(CC1CC1)CCO2
MolPort-002-513-544 0.61 CC1CCCN(CC2[C@H]3[C@@H]4O[C@@]44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-513-783 0.61 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCCCC4)[C@H]3[C@@H]3O[C@]123
MolPort-002-513-716 0.61 CC1CCN(CC2[C@H]3[C@@H]4O[C@@]44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-044-604-427 0.61 C=CC(=O)N1CC2(CCC2)C2COCC12
MolPort-046-597-671 0.61 CC1CCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-041-712-721 0.61 CC1CCC(CCC(=O)N2CCOCC2CC(O)=O)O1
MolPort-046-597-781 0.61 CC1CCCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-002-511-997 0.61 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCC(C)(C)C4)[C@H]3C3OC123
MolPort-046-743-286 0.61 CC(C)(CN1C[C@@H]2COCC[C@@]2(C1)C(O)=O)N1CCOCC1
MolPort-000-745-994 0.61 [I-].CC(C)(C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-000-727-708 0.61 CCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-042-916-125 0.61 OC1CCN(CC2CCC3(CCCC3)O2)C11CCCC1
MolPort-046-105-093 0.61 CC(NCC1(CO)CCOCC1)C1(C)CCCO1
MolPort-027-844-801 0.61 COC1CCC2OCCNC2C1
MolPort-045-971-814 0.61 Cl.OC[C@@H]1C[C@@H]2OCC[C@@H]2N1
MolPort-046-687-605 0.61 Cl.C1C2COC3(CCNC3)C12
MolPort-039-241-541 0.61 C1C[C@@H]2NCCC[C@@H]2O1
MolPort-039-339-127 0.61 C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23
MolPort-039-187-600 0.61 CC(C)(C)[C@H]1OCC[C@@H]1CNC1CCCOC1
MolPort-046-153-870 0.61 CC(C)C(=O)OC1CC2CCC(C1)N2C
MolPort-002-512-582 0.61 O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C1CC1
MolPort-000-733-052 0.61 [I-].CC(C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-045-910-158 0.61 O=C1CCC(CN2CCC3(CC2)CNCCO3)O1
MolPort-002-140-077 0.61 O.Cl.Cl.O=C(CCN1CCOCC1)OC1CC2CCC(C1)N2CCC1=CC=CC=C1
MolPort-019-885-075 0.61 CCOC(=O)C1(CCOC)CCCNC1
MolPort-044-453-918 0.61 Cl.CC1(C)C2CC1C(COCC(O)CN1CCC3(CCOC3=O)CC1)=CC2
MolPort-002-536-143 0.61 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCC1
MolPort-002-531-307 0.61 C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCCC1
MolPort-002-520-601 0.61 CC1CN(CC2[C@@H]3[C@@H](CC4=CCCC(C)[C@@]4(C)C3O)OC2=O)CC(C)O1
MolPort-002-513-352 0.61 CC1CCCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-524-969 0.61 C[C@]12CCCC(=C)[C@@H]1CC1C(C2)OC(=O)[C@H]1CN1CCCCC1
MolPort-000-742-776 0.61 [I-].CC(=O)OC(COC1CC2CCC1(C)C2(C)C)C[N+]1(C)CCCCC1
MolPort-002-511-400 0.61 CC1CCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)(C)C1
MolPort-002-510-628 0.61 CC1(C)CCCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-044-448-561 0.61 CCOC(=O)CC(C)(C)CCN1CCOC2(CCCOC2)C1
MolPort-002-516-469 0.61 CC1CCCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-000-840-041 0.61 OC(=O)C(O)=O.CCOC(=O)C1CCCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-009-766-241 0.61 [I-].CC(=O)OC(COC1C[C@@H]2CC[C@@]1(C)C2(C)C)C[N+]1(C)CCCCC1
MolPort-002-513-574 0.61 CCC1CCCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-511-285 0.61 CC1CCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-002-510-177 0.61 CC1CC(=O)C(C)CN1CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-000-729-575 0.61 [I-].[I-].CC(C[N+]1(C)CCOCC1)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-035-844-300 0.61 COC1CCC2OCCN(CC3CCCCO3)C2C1
MolPort-039-063-598 0.61 CN1[C@H]2CC(O)C[C@@H]1[C@H]1O[C@@H]21
MolPort-005-935-391 0.61 CN1[C@H]2C[C@H](O)C[C@@H]1[C@H]1O[C@@H]21
MolPort-039-164-936 0.61 OC1CCCC1C1COCCN1CC1CCOCC1
MolPort-005-935-379 0.61 CN1C2CC(O)CC1C1OC21
MolPort-002-522-526 0.61 C[C@@H]1CC[C@H]2C(CN3CCOCC3)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12
MolPort-045-909-971 0.61 CN(CCCC1CCCC1)CC1CCC(=O)O1
MolPort-010-439-840 0.61 CCOC(=O)CN1CCCC(C1)C(=O)OCC
MolPort-046-153-841 0.61 C[C@@H](O)C(O)(C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12)C(C)(C)O
MolPort-035-942-366 0.61 CCOC(=O)C1CCC2(CCOCC2)N1
MolPort-046-651-986 0.61 CCOC(=O)C1CC(CCN1)OC
MolPort-046-153-847 0.61 CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12
MolPort-046-153-849 0.61 CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12
MolPort-046-137-692 0.61 C=CC(=O)N1CCOCC1CC1CCCO1
MolPort-002-582-493 0.61 CCCCC1(CC(CN2CCOCC2)OC1=O)C(=O)OCC
MolPort-046-675-193 0.61 Cl.COC(=O)[C@@H]1CO[C@@H]2CNC[C@H]12
MCULE-4901806887 0.61 CCNC1CC2(CC(CC)CC2)OC1
MCULE-8740088553 0.61 CC1(OC(C)(C)CC(NCC2OCCCC2)C1)C
MCULE-2966009975 0.61 C(=O)(C(C)(C)C)OC(C)CC(C)(C)N1CCOCC1
MCULE-8764145923 0.61 CC([C@@H]1[C@@H](CNC2COCC2)CCO1)C
MCULE-6508895298 0.61 CC([C@@H]1[C@@H](CNC2COCC2)CCO1)(C)C
MCULE-7416529205 0.61 CC1C(NC2C3OC(CC3)C2)C(C)CCC1
MCULE-1487349884 0.61 CC1C(NC[C@@H]2[C@@H](C(C)(C)C)OCC2)CCO1
MCULE-7231920631 0.61 CC1C(NC2CC3(CCC3)OC2)CC1
MCULE-4163404998 0.61 CC1CC(NC2CC3(CCC3)OC2)C1
MCULE-4680652702 0.61 C1C(C(C2CC2)NC2C3OC(CC3)C2)C1
MCULE-1548746679 0.61 CC(CNC1CC2(CCC2)OC1)C
MCULE-3728423714 0.61 CCC(NC1CC2(CCC2)OC1)C
MCULE-2065743111 0.61 CC(CC1C(NC[C@@H]2C[C@H](O)C2)COC1)C
MCULE-3955458179 0.61 C1CC(NC2CC3(CCC3)OC2)C1
MCULE-7173329452 0.61 CCNC1CC2(CCCC2)OC1
MCULE-2671194747 0.61 CCNC1CC2(CCCCCC2)OC1
MCULE-3114494738 0.61 CC([C@@H]1[C@@H](CNC2C(C)OCC2)CCO1)C
MCULE-9894285082 0.61 C[C@@]12CCCN[C@@H]1COC2
MCULE-3906957230 0.61 CC(CCN1C2C(COC2)CCC1)O
MCULE-2141419902 0.61 CC1OC(CN(C2CC2)CC2COCC2)CC1
MCULE-3942414575 0.61 OCCCN1C2C(COC2)CCC1
MCULE-9742345162 0.61 [NH+]1(CCCC1)C1CCC2C(OC(C)=O)C1CCC2
MCULE-6355431025 0.61 CCNC1CC2(C(C)CCC2)OC1
MCULE-4686144666 0.61 CCNC1CC2(CC(C)CC2)OC1
MCULE-5406452184 0.61 CCNC1CC(C2CCC2)(C)OC1
MCULE-5385907662 0.61 CCNC1CC2(CCC(C)CC2)OC1
MCULE-4999655079 0.61 CC(CNC1CC2(CCC2)OC1)(C)C
MCULE-6674763023 0.61 CC(C(NC1CC2(CCC2)OC1)C)C
MCULE-5132490180 0.61 [C@@]12([H])[C@H](OC(/C(/C)=C\C)=O)CCN1CC=C2COC([C@]1(O)[C@H](C)C(=O)O[C@@H]1C)=O
MCULE-9597562312 0.61 CCC(C(OC(C)(C)C)=O)N1CC(C2COCC2)CC1
MCULE-2965199313 0.61 CC(N1C2C(COC2)CCC1)(C=O)C
MCULE-8339832588 0.61 CC1OC(=O)C(N2CCCCCCC2)C1
MCULE-1360237830 0.61 CCC(C(N1C2C(COC2)CCC1)C)=O
MCULE-1631349183 0.61 CC1(C(C2OCCC2)N(CC2(COC2)CN2C(C3OCCC3)C(C)(C)C2)C1)C
MCULE-5449519879 0.61 NCC1(N2CCC2)CC(C2CC2)OC1
MCULE-1739204656 0.61 CC(C(C)=O)N1C2C(COC2)CCC1
MCULE-4858692542 0.61 CC(N1C2C(COC2)C(C)(C)C1)C=O
MCULE-2590377336 0.61 CCC(CN1C2C(COC2)CCC1)=O
MCULE-1586217144 0.61 CC(N1C2C(COC2)CCC1)C=O
MCULE-2371615533 0.61 COC(C(N1CC2C(COC2)CC1)C)=O
MCULE-8903181663 0.61 COC(CCN(CC(C)=C)CC1OCCC1)=O
MCULE-9716841939 0.61 CC(C(CN1C2COCC2CCC1)=O)C
MCULE-5845302148 0.61 C1CC2C(CCC[N+]2(C)CC1)COC(C1CCNCC1)=O.[I-]
MCULE-4849141250 0.61 CCOC(CNC1CCOCCC1)=O
MCULE-4759554302 0.61 OC(C1N[C@@H]2[C@@H](OCC2)C1)=O
MCULE-7852927352 0.61 C1(=O)OC2C(CC3C(C)(CCCC43CO4)C2)C1CNCCC[NH+](CCCC)CCCC
MCULE-7192852642 0.61 OC(C(CN1C2COCC1CC2)Cl)=O
MCULE-2449910899 0.61 CCOC(C(C(OCC)=O)CCCN1[C@@H]2[C@@H](COC2)C(C)(C)C1)=O
MCULE-4369964452 0.61 OC(C1N(C2CC3(CCC3)OC2)CC1)=O
MCULE-2232716765 0.61 CC(C1C(CNC(CC2NCCOC2)=O)CCCO1)C
MCULE-6294223977 0.61 CC(C1C(CNC(CC2NCCOC2)=O)CCCO1)(C)C
MCULE-7486640653 0.61 CCC1OCCC(C(OC2C(C)(C)CNC2=O)=O)C1
MCULE-7377935946 0.61 C1C[C@]2([H])[C@@H](CC)[C@]3([H])OC(=O)[C@H](C)[C@]3([H])C(=O)C[C@@]([H])([C@]3([H])C[C@H](C)C(=O)O3)N(C2=O)CC1
MCULE-2396259112 0.61 O=C(C1C2N(CCOC2)CC1)NC1CC2(CCCC2)OCC1
MCULE-8731746194 0.61 O=C(C1C2N(CCOC2)CC1)NC[C@@]12C3(CCC3)OC[C@@H]1C2
MCULE-2999697786 0.61 CNC1CC2(CCN(C)CCC2)OC1
MCULE-7470702190 0.61 N1(CCOC(CC2CCCCC2)C1)C1CCOCC1
MCULE-9433711196 0.61 [I-].C1CC2C(CCC[N+]2(C)CC1)COC(CC(C)C)=O
MCULE-3181044002 0.61 C1CC2C(CCC[N+]2(CC1)C)COCC[N+]1(C)CCOCC1
MCULE-2258519319 0.61 C1CC(OC2C(NC3CCOCC3)CCCC2)CC1
MCULE-8878427118 0.61 C(N1C2(CCCC2)COCC1)C1COCC1
MCULE-6198365751 0.61 CC(C=O)(CN1C2COCC1CC2)C
MCULE-9621958916 0.61 O=CCCN1C2COCC1CC2
MCULE-5798644519 0.61 C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@@]4(C)[C@@]([H])(CC[C@]4([H])[C@@H](CCC(N[C@@H]4[C@@H](O)[C@H](O)[C@@H](CO)OC4O)=O)C)[C@]3([H])[C@H](O)C[C@]2([H])C[C@H](OC(=O)C=C)C1
MCULE-4294846062 0.61 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CCCC)=O)C
MCULE-3241774818 0.61 CC(CCN1C2COCC1CC2)=O
MCULE-4200866619 0.61 CC(N1C2COC(C2)C1)(CC(O)=O)C
MCULE-8642810301 0.61 CC(C(CN1C2COCC1CC2)(C)C)=O
MCULE-1187884187 0.61 CC(COC1CN(CCCCC(=O)O)CC1)C
MCULE-4094077924 0.61 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCCC)=O
MCULE-8128133482 0.61 CC1OC(CN2CC3(CCCC3)COCC2)CC1
MCULE-3244907033 0.61 CC1CCC(N(CC2OCCC2)CCC(O)=O)CC1.Cl
MCULE-9190428490 0.61 OC1CC(N2C3COCC2CC3)CC1
MCULE-3014614066 0.61 OC(C1(CC1)CN1C2COC(C2)C1)=O
MCULE-7422922242 0.61 [I-].C1CC2C(CCC[N+]2(C)CC1)COC(=O)CCN
MCULE-3843730745 0.61 N1(C2CCN(CC2)CC2CCCCC2)CC(OCC2CC2)C21CCOCC2
MCULE-7274141196 0.61 CC(C(NC1CC(C2CC2)OC1)=O)C
MCULE-2892402879 0.61 [Br-].[N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCCCCCCCCC
MCULE-7930478134 0.61 CC1(C(C2N(CCOCC(F)(F)F)CCC2)COCC1)O
MCULE-9920482437 0.61 [N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCCCCCCC.[Br-]
MCULE-7050470482 0.61 OC1C(C2N(CCOCC(F)(F)F)CCC2)COCC1
MCULE-6100710981 0.61 CCC(NC1CC(C2CC2)OC1)=O
MCULE-7622068919 0.61 [Br-].[N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCCCCC
MCULE-8121854187 0.61 [N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCCCCCCCCCCC.[Br-]
MCULE-9245523529 0.61 [N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCCCC.[Br-]
MCULE-9448400271 0.61 CCC(C(O)=O)N1C2C(COC2)CCC1
MCULE-4173542492 0.61 [N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCCC.[Br-]
MCULE-4771606606 0.61 CCOC(C1N(CCCOC)CCCC1)=O
MCULE-8563364765 0.61 C1(CCOC)(CCCN(CC2CCCC2)C1)C(OCC)=O
MCULE-7273726014 0.61 C1(CCOC)(CCCN(C2CCOCC2)C1)C(OCC)=O
MCULE-9644603199 0.61 [Br-].[N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCCCCCC
MCULE-5593121315 0.61 CC1([C@@H]2[C@@H](COC2)N(C(C2CC3CC(CC(C3)O)C2)=O)C1)C
MCULE-8775008108 0.61 O=C1CC2(C3N(CCC3)CC2)OC1
MCULE-2359004775 0.61 O[C@H]1[C@H](CC(N2CC3(CCCC3)COCC2)=O)CCC1
MCULE-2096296604 0.61 OC(CC1N(C(CC2OCCCC2)=O)CCOC1)=O
MCULE-9289246918 0.61 CC(N1CC(C(OCC(N2CCCCCC2)=O)=O)CCC1)=O
MCULE-3373126619 0.61 N1(CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1)C(C1CCOCC1)=O
MCULE-1430494253 0.61 CC1OC(CCC(N2C(CC(=O)O)COCC2)=O)CC1
MCULE-4093472582 0.61 C=CC(N1C2C(COC2)C2(CCC2)C1)=O
MCULE-3688770039 0.61 CCOC(C(C1COCCC1)NCC1CNCCC1)=O
MCULE-3081259506 0.61 [C@@]12(CCOC[C@H]1CN(CC(C)(C)N1CCOCC1)C2)C(O)=O
MCULE-8880107296 0.61 CC1(C(OC(CCC2OCCC2)=O)C(=O)NC1)C
MCULE-9522115168 0.61 CCC1OCC(N2CCC(=O)CC2)C1
MCULE-5863641007 0.61 CCNC1CC2(C3C(C3)CC2)OC1
MCULE-6781314051 0.61 C1CC2C(CCC[N+]2(C)CC1)COC(C(C)C)=O.[I-]
MCULE-6741726614 0.61 C1(C)C(CCN(CCOC)C1C)OC(C)=O.[H]Cl
MCULE-3300581436 0.61 CC(C1OCC(N2CCC(=O)CC2)C1)C
MCULE-4687996121 0.61 C1CC2C(CCC[N+]2(C)CC1)COC(CC(C)C)=O
MCULE-3802865413 0.61 OCC1C2(CC(C3CC3)OC2)CCN1
MCULE-7163942698 0.61 CCC1C(N2CC(C)C(=O)CC2)COC1
MCULE-4654154680 0.61 CCC1OCC(N2CC(C)C(=O)CC2)C1
MCULE-4557128346 0.61 CC([C@@H]1[C@@H](CNC2COCCC2)CCO1)(C)C
MCULE-8188997317 0.61 C12CN(CC3CC3)C(CC1O2)C
MCULE-9277249920 0.61 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(C(C)C)=O)C.[I-]
MCULE-5978480981 0.61 CC(C1OCC2(C(CO)NCC2)C1)C
MCULE-4439033625 0.61 CCC1OCC2(C(CO)NCC2)C1
MCULE-5419019085 0.61 C1CC2N(C)C1CC(OC(=O)C(C)C)C2
MCULE-2591761980 0.61 COC1CC2C(OCCN2)CC1
MCULE-5402601927 0.61 N1CCCOC2CCCCC12
MCULE-7705704385 0.61 OC1C2(CCCC2)N(CC2OC3(CCCC3)CC2)CC1
MCULE-8374202572 0.61 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCC)=O
MCULE-2990403207 0.61 CCNC1CC(C2CC3C(C3)C2)OC1
MCULE-7217809601 0.61 CCNC1CC2(C3C(C3)CCC2)OC1
MCULE-1368739304 0.61 [I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)(C)C)C
MCULE-5289713896 0.61 CC(C1C(N2CCC(=O)CC2)COC1)C
MCULE-7378828525 0.61 CC1CCC(N(CC2OCCC2)CCC(O)=O)CC1
MCULE-6988472002 0.61 CC(C1(OCCC1)C)NCC1(CCOCC1)CO
MCULE-4837858754 0.61 C1CC2C(CCC[N+]2(C)CC1)COC(=O)C(C)(C)C.[I-]
MCULE-5167089946 0.61 CCCC1C2(C(CO)NCC2)COC1
MCULE-1898369090 0.61 C1CC2C(CCC[N+]2(C)CC1)COC(=O)CCN
MCULE-1858761254 0.61 CCC1C(N2CCC(=O)CC2)COC1
MCULE-7305711469 0.61 CC1OCC2(C(CO)NCC2)CC1
MCULE-4754557042 0.61 OC[C@H]1N[C@@H]2[C@@H](OCC2)C1.Cl
MCULE-1907822903 0.61 C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC\1=O)[C@@]23[H])C
MCULE-6277499755 0.61 [N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCCCCCCCCC
MCULE-6208487294 0.61 [N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCCCCCC
MCULE-6251319820 0.61 [N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCCCCCCC
MCULE-8817019553 0.61 [N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCCC
MCULE-2993874782 0.61 [N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCCCC
MCULE-4341484035 0.61 COC(CN1C2C(COC2)CCC1)=O
MCULE-7411044596 0.61 [N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCCCCCCCCCCC
MCULE-6635433567 0.61 [N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCCCCC
MCULE-7225818953 0.61 C1(CCCNC1)(CCOC)C(OCC)=O
MCULE-4186604035 0.61 CC1OCC(NC2C(C(O)=O)CC2)CC1
MCULE-6371497914 0.61 CC(C(O)=O)N1C2C(COC2)CCC1
MCULE-5173957306 0.61 CC1C(N2CC3(C(O)=O)C(C3)C2)COC1
MCULE-6527532669 0.61 O1C(CCC1=O)CN1CCC2(CC1)CNCCO2
MCULE-8746102120 0.61 CCOC(C1CCC(NC2COCCC2)CC1)=O
MCULE-5409780377 0.61 CC1(C2C(COCC(CN3CCC4(C(=O)OCC4)CC3)O)=CCC1C2)C.Cl
MCULE-7582358475 0.61 C1(N2CCOCC2)(CC2C(C)(C)C1(C)CC2)C(N)C(OCC)=O
MCULE-8122860843 0.61 [C@H]1(CN2CCCCC2)C2C[C@@]3([H])C(CCC[C@@]3(CC2OC1=O)C)=C
MCULE-6911528843 0.61 O[C@H]1[C@H](CC(N[C@H]2[C@H](C3CC3)OCC2)=O)CCC1
MCULE-8229733162 0.61 COCCC1N(C(C23CC4CC(C2)(CC(C4)C3)O)=O)CCOC1
MCULE-7878818810 0.61 CCOC(CC(CCN1CC2(COCCC2)OCC1)(C)C)=O
MCULE-3059404401 0.61 COC(CC(NC1(C(C2CC2)OCC1)C)=O)=O
MCULE-2202092637 0.61 O=C(N1C2C(COCC2)CCC1)CC1NCCOC1
MCULE-5221700413 0.61 CC1(C2C(CCCO2)C1NC(CC1NCCOC1)=O)C
MCULE-1973784126 0.61 O1C(CCC1=O)CN(C)CCCC1CCCC1
MCULE-8735741972 0.61 CC1C(N2C(C)C(C(O)=O)CC2)COC1
MCULE-5926157810 0.61 C1CC2C(CCC[N+]2(CC1)C)COC(C)C[N+]1(C)CCOCC1.[I-].[I-]
MCULE-2850866624 0.61 C(C12CC3CC(CC(C3)C1)C2)(=O)OCC[N+](C)(C)CCCCCCCCCC
MCULE-6281026497 0.61 CC1OCC(N2C(CC(O)=O)CCC2)C1
MCULE-5957450221 0.61 CNC1CC2(C3CN(CC3)CC2)OC1
MCULE-8316926159 0.61 CC1C(C)C(N2CC(C(O)=O)CC2)CO1
MCULE-2674605772 0.61 CN1C2C3C(C1CC(C2)O)O3
MCULE-5805596361 0.61 COC1CC2C(OCCN2CC2OCCCC2)CC1
MCULE-6068107573 0.61 OC1C(C2N(CC3CCOCC3)CCOC2)CCC1
MCULE-4666733761 0.61 [C@@]12([H])N(C)[C@@]([H])(C[C@H](O)C1)[C@@]1([H])[C@]2([H])O1
MCULE-9362834135 0.61 N1(CCCC1CC(O)=O)CC1CCCO1
MCULE-4949864683 0.61 CCNC1CC2(CN(C)C(C)C2)OC1
MCULE-7629911471 0.61 [C@@]12([H])[C@H](OC(C)=O)CCN1CC=C2COC([C@@](O)(C(O)(C)C)[C@H](O)C)=O
MCULE-9645745208 0.61 [C@@]12([H])[C@H](OC(=O)C)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
MCULE-8051804437 0.61 [C@@]12([H])[C@H](OC(=O)C)CCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
MCULE-4003460513 0.61 N1C(CCC21CCOCC2)C(OCC)=O
MCULE-2479031045 0.61 CCOC(CN1CC(C(OCC)=O)CCC1)=O
MCULE-7509722261 0.61 NC(C(O)=O)CN1C2COCC1CC2
MCULE-8850231818 0.61 CC1OCC2(C(C(O)=O)CNC2)CC1
MCULE-6555618294 0.61 COC(C1C(C2OCCCC2)CNC1)=O
MCULE-2903491754 0.61 CC(C(O)=O)(CN1C2COCC1CC2)N
MCULE-3263433021 0.61 C1(CCCC)(CC(OC1=O)CN1CCOCC1)C(OCC)=O
MCULE-2653696274 0.61 [Cl-].[Cl-].[Cl-].C12CCC([NH+]1C)CC(C2)OC(=O)C[NH+]1CC[NH+](C)CC1
MCULE-2878692561 0.61 Cl.COC([C@H]1[C@@H]2[C@@H](CNC2)OC1)=O
MCULE-5015506000 0.61 C=CC(N1C(CC2OCCC2)COCC1)=O
MCULE-9435469481 0.61 O=C(C1C2N(CCOC2)CC1)NCCC1OCCC1
MCULE-4653100459 0.61 O=C(N1CCCCCCC1)COC(C1CNC(=O)CC1)=O
MCULE-4287832566 0.61 COC(C1C2(CN(C)CC2)OCC1=O)=O
MCULE-5053710551 0.61 C1(CC(OC21CCCCC2)=O)C(=O)N1CCOCC1
MCULE-1063807103 0.61 CC1(C(NC2C3OC(CC3)C2)CCCC1)C
MCULE-1910610938 0.61 CCNC1CC2(C(C)CC2)OC1
MCULE-5666261826 0.61 CCC1CC(NC2C3OC(CC3)C2)CCC1
MCULE-3559604987 0.61 CCNC1CC2(CC(C)CCC2)OC1
MCULE-9853054009 0.61 N1CCCC2COCC21
MCULE-5748035972 0.61 CCCNC1CC2(CC(C)C2)OC1
MCULE-7439701153 0.61 CCNC1CC2(C(C)CCCC2)OC1
MCULE-2019104251 0.61 CCNC1CC2(C(C)(C)CCC2)OC1
MCULE-3612391355 0.61 CCNC1CC(C2(CCCC2)C)OC1
MCULE-5931912371 0.61 C1C(C2OCC(NC3COC3)C2)C1
MCULE-7654911701 0.61 CCNC1CC(C2CCCCC2)OC1
MCULE-4532673096 0.61 CCNC1CC2(C(C)C(C)C2)OC1
MCULE-6717113236 0.61 CC1C(NC2C3OC(CC3)C2)CCCC1
MCULE-2717952190 0.61 CCCNC1CC2(CCC2)OC1
MCULE-2258949785 0.61 CCNC1CC(C2CCC2)OC1
MCULE-7489459091 0.61 CCNC1CC2(C(C)(C)CC2)OC1
MCULE-1812187445 0.61 CCNC1CC(C2CCCC2)(C)OC1
MCULE-5000654692 0.61 CCNC1CC2(C(CC)CCC2)OC1
MCULE-7274379778 0.61 CCC1CCC(NC2C3OC(CC3)C2)CC1
MCULE-1908565382 0.61 CCCNC1CC2(CC(C)(C)C2)OC1
MCULE-8543824126 0.61 CCNC1CC(C2CCCC2)OC1
MCULE-7362476795 0.61 CCNC1CC2(CC(C)(C)CC2)OC1
MCULE-5646616943 0.61 CC(CCOC1CN(CCC(O)=O)CC1)C
MCULE-3265170019 0.61 CCNC1CC2(CC(C(C)C)C2)OC1
MCULE-5213577396 0.61 CC1CC(NC2C3OC(CC3)C2)CCC1
MCULE-9257715137 0.61 CC(CN1C2C(COC2)CCC1)CO
MCULE-5126488011 0.61 C(C1CCC1)NC1CC2(CCC2)OC1
MCULE-9605478775 0.61 CCNC1CC2(CCCCC2)OC1
MolPort-001-899-735 0.61 O=C(C1CC(=O)OC11CCCCC1)N1CCOCC1
MolPort-023-521-432 0.61 CCC1CCC(CC1)NC1CC2CCC1O2
MolPort-035-848-925 0.61 CC1CCC(CN(CC2CCOC2)C2CC2)O1
MolPort-039-174-300 0.61 CC(C)[C@H]1OCC[C@@H]1CNC1CCOC1C
MolPort-023-521-546 0.61 CC1CCCC(C1)NC1CC2CCC1O2
MolPort-023-521-500 0.61 CCC1CCCC(C1)NC1CC2CCC1O2
MolPort-023-632-133 0.61 CC1(C)CCCCC1NC1CC2CCC1O2
MolPort-023-632-309 0.61 C1CC1C(NC1CC2CCC1O2)C1CC1
MolPort-027-695-447 0.61 O=C(COC(=O)C1CCC(=O)NC1)N1CCCCCCC1
MolPort-029-498-417 0.61 C1CC2CNCCC1O2
MolPort-023-631-594 0.61 CC1CCCC(C)C1NC1CC2CCC1O2
MolPort-039-174-283 0.61 CC(C)(C)[C@H]1OCC[C@@H]1CNC1CCOC1
MolPort-039-174-299 0.61 CC(C)[C@H]1OCC[C@@H]1CNC1CCOC1
MolPort-023-632-051 0.61 CC1CCCCC1NC1CC2CCC1O2
MolPort-039-183-875 0.61 CC1OCCC1NC[C@H]1CCO[C@@H]1C(C)(C)C
MolPort-039-241-542 0.61 C1OC[C@@H]2NCCC[C@H]12
MolPort-002-564-286 0.61 CC(=O)OC1C2CCCC1C(CC2)[N+]1(C)CCCC1
MolPort-002-563-309 0.61 CC(=O)OC1C2CCCC1C(CC2)[NH+]1CCCC1
MolPort-020-054-041 0.61 COC(=O)CCN(CC1CCCO1)CC(C)=C
MolPort-026-619-575 0.61 CCOC(=O)CNC1CCCOCC1
MolPort-039-235-892 0.61 CCC(N1CCC(C1)C1CCOC1)C(=O)OC(C)(C)C
MolPort-046-153-855 0.61 C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)[C@@]3(O)[C@@H](C)OC(=O)[C@H]3C)[C@H]12
MolPort-020-106-760 0.61 CC1CC(N2CCCCCCC2)C(=O)O1
MolPort-046-674-717 0.61 CC(C)(C)OC(=O)CC1CC2(CN1)CCOCC2
MolPort-044-478-271 0.61 CC1(C)CN(CC2(CN3CC(C)(C)C3C3CCCO3)COC2)C1C1CCCO1
MolPort-046-676-197 0.61 CCOC(=O)CC1CC2(CN1)CCOCC2
MolPort-045-990-430 0.61 CCOC(=O)C(CCCN1CC(C)(C)[C@@H]2COC[C@H]12)C(=O)OCC
MolPort-002-523-089 0.61 CCCCN(CCCC)CCCNCC1[C@H]2C[C@H]3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-514-798 0.61 CCN(CC)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-044-606-272 0.61 CCCCCOCC(=O)N[C@@H]1C[C@H]1C1CCCO1
MolPort-002-531-298 0.61 CCOC(=O)C1CCCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)C1
MolPort-035-705-693 0.61 CC[C@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2C(=O)C[C@@H]([C@@H]2C[C@H](C)C(=O)O2)N2CCCC[C@H]1C2=O
MolPort-039-064-291 0.61 Cl.CC1CCC(CC1)N(CCC(O)=O)CC1CCCO1
MolPort-044-317-488 0.61 C(OC1CN(C2CCN(CC3CCCCC3)CC2)C11CCOCC1)C1CC1
MolPort-039-241-540 0.61 Cl.C1C[C@@H]2NCCC[C@@H]2O1
MolPort-044-856-096 0.61 OC(=O)C(F)(F)F.C1COC2(C1)CCNC2
MolPort-038-967-645 0.61 CC1CCC(CN2CCOCC3(CCCC3)C2)O1
MolPort-044-873-341 0.61 CC1(O)CCOCC1C1CCCN1CCOCC(F)(F)F
MolPort-028-907-125 0.61 C1CCC(C1)OC1CCCCC1NC1CCOCC1
MolPort-044-754-026 0.61 CC[C@H](C)C(=O)OC1CC2CCC(C1)N2C
MolPort-028-780-837 0.61 C(C1CCOC1)N1CCOCC11CCCC1
MolPort-002-512-880 0.61 CCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-002-513-634 0.61 CCCCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-005-049-034 0.61 C(C1CCCCC1)C1CN(CCO1)C1CCOCC1
MolPort-005-085-071 0.61 CCOC(=O)C1(CCOC)CCCN(C1)C1CCOCC1
MolPort-005-104-153 0.61 CCOC(=O)C1(CCOC)CCCN(CC2CCCC2)C1
MolPort-019-662-399 0.61 CCOC(=O)C1CCCCN1CCCOC
MolPort-002-513-602 0.61 CC(NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O)C1C2CC3CC2CCC1C3
MolPort-005-909-548 0.61 C[C@@H]1C[C@@H]2OC(=O)C(CN3CCCCCC3)[C@H]2[C@H](O)[C@]2(C)[C@H](C[C@H](OC(C)=O)C12)OC(C)=O
MolPort-002-528-659 0.61 C[C@@H]1C[C@@H]2OC(=O)C(CN3CCCCC3)[C@H]2[C@H](O)[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)C12
MolPort-046-622-546 0.61 O=C(COC1CCOC2(CCN(CC2)C(=O)C2CCOCC2)C1)N1CCCC1
MolPort-026-489-109 0.61 OC(=O)CC1COCCN1C(=O)CC1CCCCO1
MolPort-027-712-269 0.61 CC(=O)N1CCCC(C1)C(=O)OCC(=O)N1CCCCCC1
MolPort-046-763-650 0.60 Cl.CN1[C@@H]2CC(O)C[C@@H]1[C@@H]1O[C@H]21
MolPort-046-690-941 0.60 [Br-].C[N+]1(C)C2CC(O)CC1C1OC21
MolPort-002-593-833 0.60 CCCCCCCCCOC(=O)C(CC(O)=O)N1CCOCC1
MolPort-045-902-172 0.60 CCCCCCOC(=O)C1CN1C(C)(C)C
MolPort-009-767-317 0.60 Cl.Cl.CN(CCOC(=O)CCC(=O)OCCN(C)C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3
MolPort-023-220-231 0.60 Cl.CN1[C@H]2C[C@H](O)C[C@@H]1[C@H]1O[C@@H]21
MolPort-023-306-369 0.60 CC(CN1CCCCC1)OC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-046-418-809 0.60 [Br-].CCCCCCCCCC[N+](C)(C)CCOC(=O)C12CC3CC(CC(C3)C1)C2
MolPort-028-816-583 0.60 CC(=CC(=O)OCC(=O)NC1CCCCCC1)C(=O)OCC(=O)NC1CCCCCC1
MolPort-000-777-589 0.60 OC(=O)C([O-])=O.CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CN1CC[NH+](CCOCCO)CC1
MolPort-046-571-421 0.60 O=C(C1CC1)N1C[C@@H]2[C@H](CN3CCOCC3)[C@H]3CC[C@]2(C1)O3
MolPort-002-902-792 0.60 O=C(OCC1CCCN2CCCCC12)\C=C\C1=CC=CC=C1
MolPort-038-411-325 0.60 CCCC(=O)N1CCC(CC1)N[C@@H]1CCOC[C@H]1OCC=C(C)C
MolPort-009-758-285 0.60 OC(=O)C(O)=O.C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CCOCCO)CC1
MolPort-039-069-677 0.60 O=C([C@@H]1CCCO1)N1CCC2(C1)CCCOC2
MolPort-046-104-778 0.60 COC(=O)C1(CC1)C(=O)N1CCOCC(C1)C1CCC1
MolPort-002-531-653 0.60 CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)C3CN1CCCC1
MolPort-000-729-533 0.60 O=C(OC[C@@H]1CCCN2CCCC[C@H]12)\C=C\C1=CC=CC=C1
MolPort-002-513-501 0.60 C[N+]12CCCC[C@@H]1[C@H](COC(=O)\C=C\C1=CC=CC=C1)CCC2
MolPort-044-754-047 0.60 C[C@@H](O)[C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-046-688-235 0.60 Cl.C[C@]12COC[C@H]1NCCC2
MolPort-000-714-811 0.60 [Cl-].CC(=O)OC1C2CCCC1C(CC2)[NH+]1CCCC1
MolPort-042-880-919 0.60 CC1(C)CC(NC2CCOC3(CCC3)C2)C(C)(C)O1
MolPort-023-313-863 0.60 Cl.CC(=O)OCC1CCCCN1
MolPort-044-447-024 0.60 CO[C@@H]1C[C@@H](CO)N(CCCC2CCOCC2)C1
MolPort-038-955-871 0.60 Cl.CC(C)CCOC1CCN(CCC(O)=O)C1
MolPort-038-948-345 0.60 COC1CCCC1C1COCCN1
MolPort-038-942-908 0.60 Cl.C1CC2CNCCC1O2
MolPort-000-729-354 0.60 [I-].CC(=O)OC1C2CCCC1C(CC2)[N+]1(C)CCCC1
MolPort-020-180-641 0.60 Cl.CC(CC(C)(C)N1CCOCC1)OC(=O)C(C)(C)C
MolPort-023-628-731 0.60 CCOC1CC(NC2CCOC2)C11CCCCC1
MolPort-046-597-387 0.60 CC12CCC3C(CCC4CC(=O)CCC34C)C1CCC2OC(=O)CCN1CCOCC1
MolPort-044-626-089 0.60 Cl.OC(=O)C1CC2OCCC2N1
MolPort-046-420-197 0.60 Cl.OC(=O)C1(CN2CCCOCC2)CCCC1
MolPort-046-100-023 0.60 O[C@@H]1CCCC[C@H]1CC(=O)NC1CC2CCC1O2
MolPort-002-142-673 0.60 CCCCCCOC(=O)C1CN1CCO
MolPort-044-600-809 0.60 Cl.OC(=O)C1C[C@@H]2OCC[C@@H]2N1
MolPort-046-597-316 0.60 C[C@]12CCC3C(CC[C@H]4CC(CC[C@]34C)OC(=O)CCN3CCOCC3)C1CCC2=O
MolPort-002-525-635 0.60 CN(CC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)C1CCN(C)CC1
MolPort-044-464-117 0.60 COCC1(CCOCC1)C(=O)N1CCOC2CC(CCC12)N(C)C
MolPort-027-938-320 0.60 CC1CC(N(C)CC23CC4CC(CC(C4)C2)C3)C(=O)O1
MolPort-002-528-691 0.60 C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)OC(=O)CCN3CCOCC3)[C@@H]1CCC2=O
MolPort-002-530-731 0.60 CCOC(=O)C1CCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-002-532-542 0.60 C[C@]12CCCC3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCC(CC1)N1CCCCC1
MolPort-020-109-699 0.60 CC1CC(N(C)CC2CCCCC2)C(=O)O1
MolPort-023-161-497 0.60 CC(C)CCOC(C)C(=O)NC1C2CCCOC2C1(C)C
MolPort-042-354-814 0.60 COC1CCCC1C1COCCN1C(=O)CC1(CCC1)C(O)=O
MolPort-023-314-409 0.60 CCCCCCOC(=O)C1CN1C(C)(C)CO
MolPort-027-668-872 0.60 CCOC(=O)C1(C)CCCN1CCCOC
MolPort-023-174-745 0.60 CC1CC(N2CCC(CC2)OCCN2CCCC2)C(=O)O1
MolPort-030-035-722 0.60 CCOCCCNC(=O)C1CCN(CC2CCC3(CCCCC3)O2)CC1
MolPort-029-937-863 0.60 NC(=O)N1CCCC1COC(=O)C1=CCCCCC1
MolPort-029-509-923 0.60 O=C1OC2CC1NCC2
MolPort-038-402-390 0.60 CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)C1(CO)CC1
MolPort-046-765-266 0.60 C[C@@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)[C@@H]23
MolPort-000-698-216 0.60 CCCCCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-039-146-296 0.60 I.OC1CCOCC1C1CCCN1CCOCC(F)(F)F
MolPort-002-512-320 0.60 CCCCCCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-044-652-221 0.60 COC(=O)C1CCNC(C1)C1CCCO1
MolPort-046-677-552 0.60 CCOC(=O)C[C@@H]1CC2(CC2)CN1
MolPort-002-590-790 0.60 CC(C)OC(=O)C(CC(O)=O)N1CCCCCC1
MolPort-046-676-253 0.60 CC(C)(C)OC(=O)C[C@@H]1CC2(CC2)CN1
MolPort-009-757-828 0.60 Cl.CCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-019-937-253 0.60 CC1C(=O)OCC2=CCN3CCC(OC(=O)C(C)(O)C1(C)O)C23
MolPort-020-096-305 0.60 COC(=O)C1CCCCN1CCC(=O)OC(C)C
MolPort-000-731-774 0.60 [Cl-].CCCCC(=O)OC[C@@H]1CCC[NH+]2CCCC[C@H]12
MolPort-002-512-627 0.60 CCCCC(CC)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-045-991-087 0.60 CC(CCO)CNC(CCCC=C)C1(C)CCCO1
MolPort-046-598-039 0.60 CCCCCCCCCCCCCCCC(=O)OC[C@H]1CCC[N+]2(C)CCCC[C@@H]12
MolPort-000-735-063 0.60 [I-].CCCCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-002-514-709 0.60 COC(=O)CCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-002-514-612 0.60 CCCCCCCCCCCCCCCC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-046-546-265 0.60 CN(C)[C@@H]1C[C@H](CNC2CCOC22CCCCC2)C1
MolPort-002-513-617 0.60 CCOC(=O)C1CCN(CC2[C@H]3CC4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
MolPort-001-742-605 0.60 C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
MolPort-002-513-402 0.60 COC(=O)CCCCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-028-283-390 0.60 CN(CCC(=O)N1CCOCC1)C1C2CCOC2C1(C)C
MolPort-002-513-541 0.60 CN(CC1OCCO1)CC1[C@H]2CC3=C(C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-000-157-648 0.60 C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)C23
MCULE-9222919355 0.60 Cl.N12CCCCC1C(CCC2)COC(=O)C=CC1C=CC=CC=1
MCULE-9949705378 0.60 CC1OC2(COCCC2)CN(C(C[C@H]2[C@H](O)CCC2)=O)C1
MCULE-1946305982 0.60 [I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=CC1=CC=CC=C1)C
MCULE-4609658859 0.60 O=C(C1C2N(CCOC2)CC1)NC1C2(CCC2)COCC1
MCULE-2973803904 0.60 C(C=CC1C=CC=CC=1)(=O)OC1CC2N(C)C(CC2)C1
MCULE-6409127017 0.60 N12CCC(C(OC(=O)C=CC3C=CC=CC=3)C1)CC2
MCULE-5645844470 0.60 C(=O)(C1CCN(CC1)CCOC)N[C@@H]1CCOC[C@H]1OC/C=C(\C)/C
MCULE-4808682809 0.60 OC(CC1(NC(C2C(C3CCCCC3)C2)=O)COCC1)=O
MCULE-5515790615 0.60 CCOC1C2(CCC2)C(NC(CC2NCCOC2)=O)C1
MCULE-2074631199 0.60 O=C(N1CC(C2CCC2)COCC1)C1CCOCCC1
MCULE-8002691875 0.60 CC(OC1CN(C(C2CN(C3CCOCC3)C2)=O)CCC1)=O
MCULE-7220812438 0.60 CC(C[C@@H](CC(OC1C(=O)N(C(C)C)CC1)=O)CN)C
MCULE-3054970278 0.60 COCCN1C(=O)CC(C(OC2CC3C(CCCC3)CC2)=O)C1
MCULE-1281026567 0.60 OC(CC1(NC(CCCC2CCOCC2)=O)COCC1)=O
MCULE-9028165907 0.60 OC(CC1(NC(C2C3(CCCC3)C2)=O)COCC1)=O
MCULE-8358982064 0.60 CC(C(NCCC1OCCC1)=O)OC1CC(C)CCC1
MCULE-2991430390 0.60 CCC1N(C(C(OC(/C=C(\C)/C)=O)C)=O)CCCC1
MCULE-6930474174 0.60 CC(C(NC[C@@H]1[C@@H](C(C)(C)C)OCC1)=O)OCC1CC1
MCULE-3778295533 0.60 CC([C@@H]1[C@@H](CNC(C(OCC2CC2)C)=O)CCO1)C
MCULE-5640981112 0.60 OC(C1C(C2OCCCC2)CCN1)=O
MCULE-4382289811 0.60 OC(C1C(C2OCCC2)CCN1)=O.Cl
MCULE-9560764754 0.60 CC1C(CNC2[C@@H]3[C@H]4C[C@H]2C[C@@H]4CO3)(O)CCO1
MCULE-5752961287 0.60 CCC(C(N1C2C(CCC(OC)C2)OCC1)=O)(C)C
MCULE-4690548009 0.60 COC(CN1CC2C(COC2)CC1)=O
MCULE-5582431311 0.60 CC1OCC(N2CCCC2)(CN)CC1
MCULE-8545814508 0.60 CCC1OCC(N2CC(=O)CC2)C1
MCULE-1541681253 0.60 CC(CN1C2C(COC2)CCC1)=O
MCULE-3775714142 0.60 CCOC(C1CN(CC2(CCCC2)O)CCC1)=O
MCULE-1568099654 0.60 O=CCN1C2C(COC2)CCC1
MCULE-9599409793 0.60 CC(C1OCC(N2CC(=O)CC2)C1)C
MCULE-2581114338 0.60 CC1C(NC[C@@H]2[C@@H](C(C)(C)C)OCC2)CCN(CC2OCCC2)C1
MCULE-6426025697 0.60 CC(CNC1CC2(CCC2)OC1)=C
MCULE-1068554238 0.60 OC1CN(C2COCC2)CC(C(O)=O)C1
MCULE-6289155280 0.60 CC1C(N2C3CC(CC2CC3)=O)COC1
MCULE-1491712609 0.60 C1C2(CCCCO2)CCN1
MCULE-7762150076 0.60 C(OCC)(=O)CCNC(COC)CCC
MCULE-6082716667 0.60 CCNC1C(C2CCCCC2)COC1
MCULE-4255292805 0.60 CCNC1C(C2CCCC2)COC1
MCULE-9329584700 0.60 CCNC1C(C2CCC2)COC1
MCULE-3483998908 0.60 CC(CCNC1C2(OCCC2)CCC1)(CO)C
MCULE-7481667053 0.60 CC1C(NCC2CC(O)CC2)COC1
MCULE-9926352182 0.60 OC(C1CC1)CC1NCCOC1
MCULE-2465564765 0.60 CCNC1CC2(CCC2)OC1
MCULE-7721891135 0.60 CC(NC1CC2(CCC2)OC1)C
MCULE-5962484605 0.60 CCNC1CC2(CC(C)(C)C2)OC1
MCULE-5699626233 0.60 CC(CNC1C2(OCCC2)CCC1)(CCO)C
MCULE-1597086719 0.60 CCNC1CC2(CC(C)C2)OC1
MCULE-1429245670 0.60 CCOCC(NC[C@@H]1[C@@H](C(C)(C)C)OCC1)C
MCULE-9340415287 0.60 N12CCCC[C@]1([H])[C@@H](CCC2)COC(C)=O
MCULE-2961079211 0.60 CC1C(NC2CCC(O)CC2)COC1
MCULE-8122997475 0.60 CC1C(N[C@@H]2CC[C@@H](O)CC2)COC1
MCULE-5897801481 0.60 CC=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(O)(CO)C(C)C1
MCULE-3414587626 0.60 C1(=C/C)\C[C@H]([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
MCULE-9753454229 0.60 C1(=C/C)\C[C@@H]([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
MCULE-4830898327 0.60 C1(=O)C(=CC)CC(=C)C(C)(O)C(=O)OCC2=CCN3CCC(C23)O1
MCULE-9982898170 0.60 C1(=C/C)\CC([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])=C
MCULE-4764798784 0.60 COCCN1C(=O)CC(C(OC2C=C(C)CC(C)(C)C2)=O)C1
MCULE-1137152976 0.60 C1(CN2CCCCC2)C2CCC=C(C)CCC(C)=CC2OC1=O
MCULE-2183840533 0.60 O=C(NC1C2OC(CC2)C1)CC1NCCOC1
MCULE-2481368984 0.60 COC(C1C(C(NC2C3OC(CC3)C2)=O)CC1)=O
MCULE-6310663789 0.60 C12(CCC(C(=O)O1)(C)C2(C)C)C(=O)N1CCCC1
MCULE-9768846052 0.60 COCC(NC(C1C2OC(CC2)C1)=O)(CC(=O)O)C
MCULE-3532625563 0.60 COC(C1C(C(N2CC3(CC3)COCC2)=O)CC1)=O
MCULE-2289218842 0.60 OC(C(C1COCCC1)NC(CCCOCC=C)=O)=O
MCULE-8048229764 0.60 CN1CCC(OCC(NC2C3C(OCC3)CCC2)=O)CC1
MCULE-7842411075 0.60 O=C(NC1C(OC(CC2CCOCC2)=O)CCCC1)CC1CCOCC1
MCULE-9815158242 0.60 COCCCC(N1CC(C2CCC2)COCC1)=O
MCULE-2113328157 0.60 C[C@H]1[C@@H](NC(C2C3(COCC3)C2)=O)CCO1
MCULE-8902707234 0.60 CCOC([C@]12[C@@](OCC1)([H])CCNC2)=O
MCULE-7595351526 0.60 CC(C1C(CNC(C2CN(C3COCC3)C2)=O)CCCO1)C
MCULE-6779453092 0.60 N1(CCC2(CC1)OCCC(C2)N1CCOCC1)C(C1CCOCC1)=O
MCULE-5997794481 0.60 CCCC1OCCC(C(N[C@H]2[C@@H](C)OCC2)=O)C1
MCULE-5415292397 0.60 O=C(C1CN(C2COCC2)C1)NC1CC(C2CC2)OCC1
MCULE-7252907887 0.60 [C@@]12([H])CCCN1CC[C@H]2COC(C[C@@](C(=O)OC)(O)CC(C)C)=O
MCULE-5788388378 0.60 CCC(C(NC1CC2(CCC2)OC1)=O)(C(O)=O)CC
MCULE-1303881421 0.60 COC(CC(N[C@H]1[C@H]2O[C@H](CC2)C1)=O)=O
MCULE-5219907551 0.60 CC1N(C2CC2)CC2(OCC(=O)C2)C1
MCULE-1376839504 0.60 CC(C1OCCC(CNC(C2CN(C3COCC3)C2)=O)C1)C
MCULE-6056274890 0.60 OC([C@H]1[C@@H]2[C@@H](CNC2)OC1)=O
MCULE-3663886619 0.60 COC1CC2C(OCCN2CC2(CNCC2)C)CC1
MCULE-2399238549 0.60 C1CCN2CCCC(COCC(=O)N(CC)CC)C2C1
MCULE-4894282613 0.60 C[C@H]1N(C2C(=O)OCC2)C[C@H](O)CC1
MCULE-4685337897 0.60 [N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCC.[Br-]
MCULE-9533709513 0.60 C(C(C)C)(=O)NCC1CCC2(CCN(CC2)CC(C)(C)C)O1
MCULE-8324654954 0.60 O=C(OCC)C1CC(O)CCN1
MCULE-8756734881 0.60 C1(CC(C)CCC1C(C)C)C(=O)C[N+](C)(C)CCCCCCCCCC[N+](C)(C)CC(=O)OC1CCCC(C)C1
MCULE-2575172605 0.60 C(CN1CCCCCC1)(CN1CCCCCC1)OC(CCCCCCCCCCCCCCC)=O
MCULE-2648307068 0.60 C1CC2C(CCC[N+]2(C)CC1)COCC(=O)N(CC)CC
MCULE-9178991313 0.60 C(C(C)C)(=O)NCC1CCC2(CCN(CC2)CCC)O1
MCULE-4039640660 0.60 C1(CN(CC2CCCO2)CCC1=O)C(OC)=O
MCULE-9551306240 0.60 [C@]12(C)CCC3C(CCC4CC(=O)CC[C@]34C)C1CCC2OC(=O)CCN1CCOCC1.Cl
MCULE-3410433042 0.60 C(OCCN1CCCCC1)(C(CCC)CCC)=O
MCULE-6390090045 0.60 [C@]1(C)(O)[C@@H](C(C)C)C(=O)O[C@@H]2CCN3CC=C([C@@]32[H])COC(=O)[C@]1(C)O
MCULE-1849728087 0.60 C(O)(C(O)=O)=O.N1C2(CCC1)CCOC2.N1C2(CCC1)CCOC2
MCULE-5725050795 0.60 C1(C)(O)C(C(C)C)C(=O)OC2CCN3CC=C(C32[H])COC(=O)C1(C)O
MCULE-4246450341 0.60 C12CCC(CCC1[N+]1(CCCC1)C)C2OC(C)=O
MCULE-3610914175 0.60 CC1C(NC2COC(C)CC2)CCO1
MCULE-5689503213 0.60 N1CC(CC1CC(C)C)OC(C)C
MCULE-8258895294 0.60 Cl.C1CC2(NCCCOC2)CC1
MCULE-4399262236 0.60 CCC1OCC(N2CC(CO)CC2)C1
MCULE-8617603456 0.60 [C@@H]1(C(C)C)[C@@](C)(O)[C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
MCULE-2208516701 0.60 N1CC(CC1CCC)OCC
MCULE-6833485689 0.60 OCC(CN1C2C(COC2)CCC1)O
MCULE-4626418298 0.60 N1C(CCC)CC(OC(C)C)C1
MCULE-7850891265 0.60 C1(O)(CO)C(C)[C@@H](C(O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
MCULE-8755677340 0.60 N1CC(CC1CC(C)C)OCC
MCULE-7690123168 0.60 CC(CC(C(=O)O)CNC1C(C)OC(C)C1)C
MCULE-1707956792 0.60 CN1CC(OC(C2CC(N)C2)=O)CC1
MCULE-6299511534 0.60 COC1(C(NC2COC(C)CC2)C1)C
MCULE-6654644409 0.60 CC1C(C)C(NC2C(C(O)=O)CC2)CO1
MCULE-8021740799 0.60 CC(CCOC1CN(CCCC(O)=O)CC1)C
MCULE-8296070664 0.60 CC1C(N2CC(CC(O)=O)CC2)COC1
MCULE-9469102475 0.60 COC1(CCC1)CN1[C@@H]2[C@@H](COC2)C(C)(C)C1
MCULE-3454759774 0.60 CCC1N(C2COCC2)CCC1C(O)=O
MCULE-6784390151 0.60 CC1C(N2C(C)CC(=O)CC2)COC1
MCULE-3910706909 0.60 CNC1CC2(CN(C)CCC2)OC1
MCULE-7443896477 0.60 CO[C@@]1([C@H](NC2COC(C)CC2)C1)C
MCULE-7456266720 0.60 N1(CCCCC1CC(O)=O)CC1CCCO1
MCULE-8802884535 0.60 C12CCC(CCC1[NH+]1CCCC1)C2OC(C)=O
MCULE-7175283488 0.60 CNC1CC2(C3CCN(CC3)C2)OC1
MCULE-8146326448 0.60 C(COC1CCCCC1)CNC1COCCC1
MCULE-7207690386 0.60 N1(C(C)(C)C)CC1C(OCCCCCC)=O
MCULE-8403025161 0.60 O[C@@H]1C[C@@]2([H])N(C)[C@@]([C@]3([C@]2([H])O3)[H])([H])C1.Cl
MCULE-3371374495 0.60 C(=O)(C12CC3CC(C1)CC(C3)C2)OC(C)CN1CCCCC1
MCULE-5510054239 0.60 C(C12CC3CC(CC(C3)C1)C2)(=O)OCC[N+](C)(C)CCCCCCCCCC.[Br-]
MCULE-1630696917 0.60 CC1NC(CC(C2(CC2)Cl)=O)COC1
MCULE-3047998923 0.60 COC(C1C2(CC(C)OC2)CNC1)=O
MCULE-6793558875 0.60 OC(C1C(C2OCCC2)CCN1)=O
MCULE-3998904475 0.60 CC(C1C2(C(C(O)=O)CNC2)COC1)C
MCULE-8631542993 0.60 CC1C(C)C2(C(C(O)=O)CNC2)CO1
MCULE-3715154225 0.60 N1C(C)C(C(C)C1C(OCC)=O)C(C)O
MCULE-9969629440 0.60 C(C(OCCCCCCCCC)=O)(N1CCOCC1)CC(O)=O
MCULE-3819474007 0.60 CCCNC1CC2(COCCC2)OC1
MCULE-7470200403 0.60 CC(N1C2COCC1CC2)C(C(O)=O)N
MCULE-6149874189 0.60 CCC1C2(C(C(O)=O)CNC2)COC1
MCULE-1957524330 0.60 COC(C1(C(N2CC(C3CCC3)COCC2)=O)CC1)=O
MCULE-9503133643 0.60 O=C(N1CC2(COCCC2)CC1)[C@H]1OCCC1
MCULE-6607002105 0.60 OC(CC1(NC(CCCOCC=C)=O)COCC1)=O
MCULE-6189926779 0.60 CC(C(OCC(NC1CCCCCC1)=O)=O)=CC(OCC(NC1CCCCCC1)=O)=O
MCULE-9408489564 0.60 CCOC1C2(CCOCC2)C(NC(C2CN(C3COCC3)C2)=O)C1
MCULE-9786840543 0.60 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=CC1=CC=CC=C1)C
MCULE-9327973636 0.60 N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=CC1C=CC=CC=1
MCULE-5897452607 0.60 N12CCCCC1C(CCC2)COC(=O)C=CC1C=CC=CC=1
MCULE-2001557147 0.60 N1(CCC(CC1)N[C@@H]1CCOC[C@H]1OC/C=C(/C)\C)C(CCC)=O
MCULE-5079005522 0.60 O=C(N1C[C@@H]2[C@@H](OCC2)CC1)C1C2N(CCOC2)CC1
MCULE-8608484168 0.60 C(=O)([O-])C(O)=O.C1(CN2CC[NH+](CCOCCO)CC2)C2CC3C(C)(CCCC3=C)CC2OC1=O
MCULE-9322352863 0.60 [C@@]1(O)([C@H](O)C)C[C@H]([C@@](C)(O)C(=O)OCC2=CCN3[C@@]2([H])[C@H](OC1=O)CC3)C
MCULE-6575384948 0.60 OCCN1C2C(COC2)CCC1
MCULE-9198609119 0.60 CCC1C2(C(CO)NCC2)COC1
MCULE-7788097221 0.60 [Cl-].[NH+]1(CCCC1)C1CCC2C(OC(C)=O)C1CCC2
MCULE-2239741786 0.60 CC1C(C)C(N2CC(C)C(=O)CC2)CO1
MCULE-1020229666 0.60 CC1C(NCC23COCC2C3)COC1
MCULE-7659370141 0.60 Cl.C[C@@]12CCCN[C@@H]1COC2
MCULE-6769289452 0.60 C[C@@H](CN1C2C(COC2)CCC1)O
MCULE-7807331106 0.60 CC1C(C)C(N2CCC(=O)CC2)CO1
MCULE-2618379933 0.60 CCNC1CC2(C3CC(CC3)C2)OC1
MCULE-1939279474 0.60 CC(CN1C2C(COC2)CCC1)O
MCULE-2686586352 0.60 CCC1C(N2CC(C(O)=O)(C)C2)COC1
MCULE-6472712533 0.60 CC(C1C2(C(CO)NCC2)COC1)C
MCULE-4362937503 0.60 CC1C(C)C2(C(CO)NCC2)CO1
MCULE-5921041151 0.60 CC(C1C(N2CC(C(O)=O)C2)COC1)C
MCULE-6497715716 0.60 CCO[C@H]1[C@H](NC2CC(C)(C)OC(C)(C)C2)CCC1
MCULE-5569140689 0.60 CCOC1C2(CCCCC2)C(NC2COCC2)C1
MCULE-1513493422 0.60 CC(C(NC1CC2(CCC2)OC1)C)O
MCULE-3456647768 0.60 CC1OCC(NC2CCOCC2)CC1
MCULE-9669595870 0.60 CC(CN1C2COCC2CCC1)(O)C
MCULE-6936564318 0.60 CC(N1C2C(COC2)CCC1)CO
MCULE-9607468308 0.60 CC[C@@H](CN1C2C(COC2)CCC1)O
MCULE-5789692322 0.60 CCC(CN1C2C(COC2)CCC1)O
MCULE-8701622392 0.60 CC(CNC1CC2(CCC2)OC1)(O)C
MCULE-6727868551 0.60 C(C12COCC1C2)NC1COCCC1
MCULE-7494235809 0.60 C1CC2(OCC(NC3CCCC3)C2)C1
MCULE-3436894847 0.60 CC(C(N1C2C(COC2)CCC1)C)O
MCULE-7315210637 0.60 CC1(OC(C)(C)C(NC2CC3(CCC3)OCC2)C1)C
MCULE-8954725819 0.60 COC1C(C2NCCOC2)CCC1
MCULE-7321350253 0.60 CC(CNC1CC2(CCC2)OC1)O
MCULE-2937843634 0.60 CC(N1C2COCC2CCC1)(CO)C
MCULE-9279003918 0.60 CC(CC1C(NCC2(CCOCC2)C)COC1)C
MCULE-8417865679 0.60 OCC1C(C2OCCCC2)CCN1
MCULE-7506784570 0.60 C12CN(CCCOC)C(CC1O2)C
MCULE-9159240719 0.60 C(N1C2C(COC2)CCC1)[C@H]1OC1
MCULE-3956625273 0.60 C(N1C2C(COC2)CCC1)C1OC1
MCULE-9960248732 0.60 CC1OCC(NCC2COCC2)CC1
MCULE-5726764980 0.60 CO[C@H]1CN(CCCC2CCOCC2)[C@H](CO)C1
MCULE-2050061719 0.60 C1CC2(OCC(NC3COCC3)C2)C1
MCULE-5395443147 0.60 Cl.CC(CCOC1CN(CCC(O)=O)CC1)C
MCULE-5242029013 0.60 CCC1C(N2CC(C(O)=O)C2)COC1
MCULE-7042931589 0.60 OC1(C2(CC2)CNC2C3(OCCC3)CCC2)CCC1
MCULE-4881882400 0.60 C1CC2(NCCCOC2)CC1
MCULE-3505529362 0.60 CC1C(NC2C3OC(CC3)C2)COC1
MCULE-3341139875 0.60 CC1C(NC2CCOCCC2)COC1
MCULE-8658253025 0.60 OCC1(NCC(O)C1)CC1OCCC1
MCULE-3016913626 0.60 Cl.C(=O)(C(C)(C)C)OC(C)CC(C)(C)N1CCOCC1
MCULE-3237520813 0.60 [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(=O)CCN1CCOCC1
MCULE-4989267358 0.60 N1(C(C)(C)CO)CC1C(OCCCCCC)=O
MCULE-8704534455 0.60 [N+](CCOC(CCCCCCCCC=C)=O)(C)(C)CCCCC
MCULE-3941503547 0.60 [C@]12(C)CCC3C(CCC4CC(=O)CC[C@]34C)C1CCC2OC(=O)CCN1CCOCC1
MCULE-7249870810 0.60 CC(C(O)=O)NC1CC2(CCC2)OC1
MCULE-7780754370 0.60 OC(CN1C2C(COC2)CCC1)=O
MCULE-7299308461 0.60 CCOC(C1(N(CCCOC)CCC1)C)=O
MCULE-2881307340 0.60 CC1OC(=O)C(N2CCC(OCCN3CCCC3)CC2)C1
MCULE-4158034372 0.60 CC1N(C)CC2(OCC(O)C2)C1
MCULE-8959817017 0.60 CC1OC(=O)C(N(CC23CC4CC(CC(C4)C2)C3)C)C1
MCULE-5433284123 0.60 CC1OC(=O)C(N(CC2CCCCC2)C)C1
MCULE-6149021143 0.60 C1(C(OCCCCCC)=O)CN1CCO
MCULE-4459597258 0.60 CC(NCCC1OCCCC1)CC1NCCOC1
MCULE-7954237417 0.60 CN1C(C)(C)CC2(OCC(O)C2)C1
MCULE-9771468708 0.60 O=C(C1CC1)CN1C2C(COC2)CCC1
MCULE-8376808088 0.60 CC1C(N2CC3(C(O)=O)C(C3)C2)CCO1
MCULE-5061409680 0.60 Cl.OC(C1N[C@@H]2[C@@H](OCC2)C1)=O
MCULE-6496895778 0.60 O[C@H]1[C@H](CC(NC2C3OC(CC3)C2)=O)CCCC1
MCULE-8414007378 0.60 CCOCCCNC(C1CCN(CC2OC3(CCCCC3)CC2)CC1)=O
MCULE-1346866031 0.60 OC(CC(NC1CC2(CCC2)OC1)=O)=O
MCULE-4044259016 0.60 CC(CCOC(C(NC1C(C)(C)C2C1CCCO2)=O)C)C
MCULE-7656917355 0.60 CC(CCOC1CN(C(C2CCC(C(O)=O)CC2)=O)CC1)C
MCULE-6013963413 0.60 C[C@H]1[C@@H](NC(CCC2OCC(C)(C)C2)=O)CCO1
MCULE-5887898789 0.60 OC(CC(N1C2COCC2CCC1)=O)=O
MCULE-9556759811 0.60 CCCOC1(CCCCC1)CNC(C1(C(=O)O)CC1)=O
MCULE-2778464031 0.60 COCC1(C(N2C3C(CC(N(C)C)CC3)OCC2)=O)CCOCC1
MCULE-6269480763 0.60 CCN1C(CC(NC2CC3(CCC3)OCC2)=O)COCC1
MCULE-8119208946 0.60 COC1C(C2N(C(CC3(C(=O)O)CCC3)=O)CCOC2)CCC1
MCULE-3905401682 0.60 NC(N1C(COC(C2CCCCCC=2)=O)CCC1)=O
MCULE-2364130893 0.60 CN(C1C(C)(C)C2C1CCO2)CCC(N1CCOCC1)=O
MCULE-8673972432 0.60 CCCC(C(OC1CC2[N+](C)(C)C(CC2)C1)=O)CCC
MCULE-1028052201 0.60 CCNC1CC2(CC(C)OCC2)OC1
MCULE-3958855990 0.60 COC(C=CN1C2COCC2CCC1)=O
MCULE-9022540105 0.60 [C@@]1(C)(O)C(=O)OCC2=CCN3CC[C@H]([C@]32[H])OC(=O)[C@H](C)[C@@]1(C)O
MCULE-4714857413 0.60 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCC(OC)=O)=O)C
MCULE-5762838853 0.60 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCCCCCCCCCCCC)=O
MCULE-4873303316 0.60 OC1C(C2N(CCOCC(F)(F)F)CCC2)COCC1.I
MCULE-5786647692 0.60 N1CC(CC1CCCC)OCCF
MCULE-2654819989 0.60 CC1N(C)CC2(OCC(N)C2)C1
MCULE-5891282453 0.60 [I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CCCC)=O)C
MCULE-6116702521 0.60 O=C1CC2(C3N(CCCC3)CC2)OC1
MCULE-6200842738 0.60 CC(N1C2COCC1CC2)CC(C)=O
MCULE-8945374909 0.60 CC(C(N[C@H]1[C@@H]2[C@@H](OCCC2)C1)=O)CN1CCOCC1
MCULE-3863408149 0.60 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCC(OC)=O)=O
MCULE-6660198750 0.60 CNC1CC2(CN(C)C(C)C2)OC1
MCULE-8080870632 0.60 OC(CC1(NC(CC2OCCCC2)=O)COCC1)=O
MCULE-7264133334 0.60 CCNC1CC2(CC(OC)C2)OC1
MCULE-5222054175 0.60 CN1C(C)(C)CC2(OCC(N)C2)C1
MCULE-7162065165 0.60 CNC1CC2(CC(C)(C)N(C)C2)OC1
MCULE-9080776696 0.60 [N+]12(CCCC[C@@]1([H])[C@H](CCC2)COC(CCCCCCCCCCCCCCC)=O)C
MCULE-4710620102 0.60 C(=O)(OC(C)C)C(N1CCCCCC1)CC(O)=O
MCULE-6093437308 0.60 CC1OCC(N2C(C)C(C(O)=O)CC2)C1
MCULE-9646637949 0.60 N12CCCC[C@]1([H])[C@@H](CCC2)COC(C(CCCC)CC)=O
MCULE-3176636981 0.60 [N+](C)(C)(CCCCCCCCCCCC)CC(OCCCCCCCC)=O
MCULE-3824995120 0.60 CC1OCC2(OC(C)C(C)NC2)CC1
MCULE-1731867756 0.60 C1C(C2OCC(NC3CC=CC3)C2)C1
MCULE-6083266397 0.60 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCCCCC)=O
MCULE-9048478002 0.60 NC1CC(NC2CC(C3CC3)OC2)C1
MCULE-5735495684 0.60 [I-].[I-].C1CC2C(CCC[N+]2(CC1)C)COCC[N+]1(C)CCOCC1
MCULE-3206357567 0.60 CCCCCCCCCCOC(C[N+](CCC(O)C)(C)C)=O
MCULE-3754452845 0.60 CCOC(C1C2(C(C)COC2)CNC1)=O
MCULE-3231228664 0.60 C1CCN(CC1)CC(C)OC(CCCCC(=O)OC(C)CN1CCCCC1)=O
MCULE-5688259881 0.60 N12CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCCCC)=O
MCULE-4072288834 0.60 C1CC[N+](CC1)(C)CC(C)OC(=O)CCCCC(=O)OC(C)C[N+]1(CCCCC1)C
MCULE-2087037116 0.60 COC(C1N(CCC(OC(C)C)=O)CCCC1)=O
MCULE-8698625131 0.60 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(CCCCCCCCCCCCCCCCC)=O)C
MCULE-2839907515 0.60 [Cl-].[NH+]12CCCC[C@]1([H])[C@@H](CCC2)COC(CCCC)=O
MCULE-8386122727 0.60 CC(CNC(C1(OCCC1)C)CCCC=C)CCO
MCULE-1675826727 0.60 C1(C)(O)C(=O)OCC2=CCN3CCC(C32)OC(=O)C(C)C1(C)O
MCULE-6505258184 0.60 O=C(C1CC1)NC1CC(C2CC2)OC1
MCULE-8867616609 0.60 N12CC=C3COC(=O)[C@@](O)(C)[C@@](O)(C)[C@@H](C)C(=O)O[C@@]([H])([C@]13[H])CC2
MCULE-2347856144 0.60 CN([C@@H]1C[C@H](CNC2C3(CCCCC3)OCC2)C1)C
MCULE-8426729586 0.60 C1(CO)(CC1)C(=O)N[C@@H]1COCC[C@@H]1OC/C=C(/C)\C
MCULE-1434580570 0.60 CC1(C(CC(N2[C@@H]3[C@@H](COC3)C3(CCC3)C2)=O)CC1O)C
MCULE-9508114514 0.60 CC1(C2(NC(C[C@H]3[C@H](O)CCC3)=O)C(C2)CO1)C