| MCULE-3001536995 |
0.84 |
[C@]12([H])CCCN1C[C@H](O)[C@@H]2COC(/C(=C\C)/C)=O
|
|
| MolPort-009-757-738 |
0.84 |
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 |
0.84 |
C\C=C(\C)C(=O)OC[C@H]1[C@@H](O)CN2CCC[C@H]12
|
|
| MolPort-039-338-396 |
0.81 |
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
|
|
| MCULE-4354077810 |
0.81 |
[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
|
|
| MCULE-4663213110 |
0.79 |
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
|
|
| MCULE-7838408162 |
0.79 |
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
|
|
| MCULE-1506963069 |
0.79 |
C(O)(C(O)=O)C(O)C(O)=O.C1(=O)C(=CC)CC(C)C(C)(O)C(=O)OCC2CCN3CCC(C32)O1
|
|
| MolPort-039-338-347 |
0.79 |
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-009-758-408 |
0.79 |
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 |
0.79 |
OC(C(O)C(O)=O)C(O)=O.C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MolPort-009-653-454 |
0.79 |
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-039-339-124 |
0.77 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@H]23
|
|
| MolPort-007-549-187 |
0.77 |
C\C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MolPort-002-527-317 |
0.77 |
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 |
0.77 |
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 |
0.77 |
C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MolPort-006-111-401 |
0.77 |
C\C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MCULE-2453824717 |
0.77 |
C1(=O)C(=CC)C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@H]([C@]32[H])O1
|
|
| MCULE-1098347199 |
0.77 |
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 |
0.77 |
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-9542568510 |
0.77 |
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-3408134534 |
0.77 |
[C@]12([C@@]3([H])COC(=O)[C@](C)(O)[C@@]([H])(C)CC(=CC)C(=O)O[C@]1([H])CCN2CC3)[H]
|
|
| MCULE-8392481784 |
0.77 |
C12(C3([H])COC(=O)C(C)(O)C([H])(C)CC(=CC)C(=O)OC1([H])CCN2CC3)[H]
|
|
| MolPort-044-754-045 |
0.74 |
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-1653653200 |
0.74 |
OC[C@@]12NCC[C@@H]1C(=O)OC2
|
|
| MCULE-8030008242 |
0.73 |
[C@@H]1(C)[C@H](C)[C@](O)(C)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@]23[H]
|
|
| MCULE-2505880600 |
0.73 |
OC[C@@]12NCC[C@@H]1C(=O)OC2.Cl
|
|
| MolPort-039-338-348 |
0.73 |
C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-674-164 |
0.73 |
Cl.OC[C@]12COC(=O)[C@H]1CCN2
|
|
| MolPort-002-511-976 |
0.72 |
CC1CN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
|
|
| MolPort-044-722-541 |
0.72 |
CC(C)C(O)(C(C)O)C(=O)OC1CCN2CCCC12
|
|
| MCULE-9482753335 |
0.72 |
C(=O)(OC1CCN2CCCC21)C(O)(C(C)C)C(C)O
|
|
| MCULE-1328502038 |
0.72 |
C(O[C@@H]1C[C@@H]2N(C)[C@@H](CC2)C1)(=O)/C(/C)=C/C
|
|
| MCULE-4226767409 |
0.72 |
N1(C)C2CCC1CC(OC(/C(/C)=C/C)=O)C2
|
|
| MCULE-5741931390 |
0.72 |
N1(C)C2CCC1CC(OC(/C(/C)=C\C)=O)C2
|
|
| MolPort-006-111-467 |
0.72 |
C\C=C(/C)C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C
|
|
| MolPort-002-516-478 |
0.72 |
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
|
|
| MolPort-044-754-029 |
0.72 |
C\C=C(/C)C(=O)OC1CC2CCC(C1)N2C
|
|
| MolPort-046-153-866 |
0.72 |
C\C=C(\C)C(=O)OC1CC2CCC(C1)N2C
|
|
| MolPort-044-754-020 |
0.71 |
CC(=O)O[C@@H]1C[C@@H]2N[C@H]1CC[C@H]2O
|
|
| MCULE-9470084264 |
0.71 |
[C@H]1(OC(C)=O)[C@@H]2CC[C@@H](O)[C@@H](N2)C1
|
|
| MCULE-5706880350 |
0.71 |
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-9168847239 |
0.71 |
CCCC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@]2([H])N(CC[C@H]2O)C1
|
|
| MCULE-2974917831 |
0.71 |
C(CCC)(=O)O[C@H]1CN2CC[C@H](O)[C@]2([H])[C@@H](O)[C@@H]1O
|
|
| MolPort-005-943-127 |
0.71 |
CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
|
|
| MolPort-046-153-835 |
0.71 |
C[C@@H]1C[C@@]2(C)CC(=O)O[C@@H]3CCN4CC[C@H](COC(=O)[C@]1(C)O2)[C@H]34
|
|
| MolPort-002-510-187 |
0.71 |
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-046-736-477 |
0.70 |
CC(C)(C)OC(=O)[C@]12COC[C@@H]1NCCC2
|
|
| MolPort-046-417-126 |
0.70 |
Cl.CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
|
|
| MCULE-5504260229 |
0.70 |
O=C1OC2C(NCCC2)C1
|
|
| MCULE-6829582666 |
0.70 |
Cl[H].C(CCC)(=O)O[C@H]1CN2CC[C@H](O)[C@]2([H])[C@@H](O)[C@@H]1O
|
|
| MCULE-7372965018 |
0.70 |
C(O[C@H]1C[C@@]2([H])N(C)[C@]1([H])C[C@@H](O)C2)(=O)C
|
|
| MCULE-6360711273 |
0.70 |
C(O[C@H]1C[C@@]2([H])N(C)[C@]1([H])C[C@@H](O)C2)(=O)C.C(O)(=O)C
|
|
| MCULE-4826245259 |
0.70 |
OC1CC2N(C)C(CC2OC(=O)C)C1
|
|
| MolPort-038-941-695 |
0.70 |
CN1C2CC(OC(C)=O)C1CC(O)C2
|
|
| MolPort-002-531-325 |
0.70 |
COCC1CCCN1CC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-027-717-778 |
0.69 |
Cl.CC=CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
|
|
| MolPort-000-748-737 |
0.69 |
[Cl-].C\C=C\C(=O)OC[C@@H]1CCC[NH+]2CCCC[C@H]12
|
|
| MCULE-6486625271 |
0.69 |
[C@H]1(COCC[C@@H]1OC/C=C(\C)/C)NC1CCOCC1
|
|
| MCULE-8007991830 |
0.69 |
N1(C)C2CCC1CC(OC(=O)CCN1CCOCC1)C2
|
|
| MCULE-3592998988 |
0.69 |
CN1C(C)(C)CC2(OC(=O)CC2)C1
|
|
| MolPort-038-397-907 |
0.69 |
CC(C)=CCO[C@H]1CCOC[C@H]1NC1CCOCC1
|
|
| MolPort-000-917-836 |
0.69 |
CN1C2CCC1CC(C2)OC(=O)CCN1CCOCC1
|
|
| MolPort-002-512-509 |
0.69 |
CC1CN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
|
|
| MolPort-002-532-611 |
0.69 |
COCC1CCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-002-510-536 |
0.69 |
C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(CN3CCOCC3)[C@@H]2CCC1=C
|
|
| MolPort-000-837-516 |
0.68 |
Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CCN1CCOCC1
|
|
| MolPort-035-681-744 |
0.68 |
CN1C2CC(OC(C)=O)C1CC(=O)C2
|
|
| MolPort-002-509-999 |
0.68 |
CC1CN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
|
|
| MCULE-4712401568 |
0.68 |
Cl.Cl.N1(C)C2CCC1CC(OC(=O)CCN1CCOCC1)C2
|
|
| MCULE-5745558790 |
0.68 |
C1(=O)OCC2NCCCC12
|
|
| MCULE-2781218490 |
0.68 |
N12CCOC(CCC(=O)OC(CC1(C)C)CC2(C)C)=O
|
|
| MolPort-002-517-235 |
0.68 |
CCC(CO)NCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-002-513-705 |
0.68 |
COC(CNCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O)OC
|
|
| MolPort-002-513-534 |
0.68 |
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-029-929-486 |
0.67 |
CC(=C)COCCNC1C2CCOC2C11CCCC1
|
|
| MolPort-003-873-355 |
0.67 |
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-009-758-530 |
0.67 |
OC(=O)C(O)=O.COCC1CCCN1CC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-046-657-760 |
0.67 |
CC(C)(C)OC(=O)C1NCCC1C1CCCO1
|
|
| MolPort-039-338-825 |
0.67 |
CCC1C2OC(=O)C(C)C2C2CC(C3CC(C)C(=O)O3)N3CCCCC1C23
|
|
| MolPort-035-705-684 |
0.67 |
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-046-651-718 |
0.67 |
CCOC(=O)C1NCCC1C1CCCO1
|
|
| MolPort-038-419-980 |
0.67 |
COCC1(CCC1)C(=O)N[C@@H]1COCC[C@@H]1OCC=C(C)C
|
|
| MolPort-046-788-534 |
0.67 |
CC1C(=O)OCC2CC[N+]3([O-])CCC(OC(=O)C(C)(O)C1(C)O)C23
|
|
| MCULE-6346137087 |
0.67 |
CC(COCCNC1C2(CCCC2)C2C1CCO2)=C
|
|
| MCULE-3698049960 |
0.67 |
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-2234824021 |
0.67 |
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 |
0.67 |
C1CC2C(CC)C3OC(=O)C(C)C3C3CC(C4CC(C)C(=O)O4)N(C23)CC1
|
|
| MCULE-4995633237 |
0.67 |
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-4320764047 |
0.67 |
C(=O)(N[C@@H]1COCC[C@@H]1OC/C=C(\C)/C)C1(CCC1)COC
|
|
| MCULE-6957071691 |
0.67 |
COC([C@H]1[C@@H]2[C@@H](CNC2)OC1)=O
|
|
| MCULE-4307048516 |
0.67 |
[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-9550261096 |
0.67 |
CC(OCCN1C2C(C(OC(C)(C)C)=O)CC1CC2)(C)C
|
|
| MCULE-8134142567 |
0.67 |
COC(C1C2(CNCC2)OCC1O)=O
|
|
| MCULE-1784214054 |
0.67 |
O=C1C2(CCC2)CC(CN2CC3(CCCC3)COCC2)O1
|
|
| MCULE-2868704165 |
0.67 |
[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)=C)C
|
|
| MolPort-002-513-569 |
0.67 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCCC4CO)[C@H]3[C@@H]3O[C@]123
|
|
| MolPort-002-514-906 |
0.67 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCOCC1
|
|
| MolPort-002-511-364 |
0.67 |
CC(=C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
|
|
| MolPort-044-459-851 |
0.67 |
O=C1OC(CN2CCOCC3(CCCC3)C2)CC11CCC1
|
|
| MolPort-002-513-682 |
0.67 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCC4)[C@H]3[C@@H]3O[C@]123
|
|
| MolPort-039-290-059 |
0.67 |
CC(C)(C)OCCN1C2CCC1C(C2)C(=O)OC(C)(C)C
|
|
| MolPort-046-153-857 |
0.66 |
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-046-153-856 |
0.66 |
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 |
0.66 |
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-046-153-860 |
0.66 |
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-046-153-844 |
0.66 |
C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12
|
|
| MolPort-002-516-418 |
0.66 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN4CCOCC4)[C@H]3[C@@H]3O[C@]123
|
|
| MolPort-045-990-430 |
0.66 |
CCOC(=O)C(CCCN1CC(C)(C)[C@@H]2COC[C@H]12)C(=O)OCC
|
|
| MolPort-030-033-274 |
0.66 |
CC1(C)CC(NCCC2CCOC2=O)C(C)(C)O1
|
|
| MolPort-046-675-193 |
0.66 |
Cl.COC(=O)[C@@H]1CO[C@@H]2CNC[C@H]12
|
|
| MCULE-6419923595 |
0.66 |
[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-8649403820 |
0.66 |
[C@@]12([H])[C@H](OC(=O)/C(=C/C)/C)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-3606301433 |
0.66 |
[C@@]12([H])[C@H](OC(/C(/C)=C\C)=O)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-9812195195 |
0.66 |
[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-4619423063 |
0.66 |
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-8509255158 |
0.66 |
[C@@]12([H])[C@H](OC(=O)/C(=C\C)/C)CCN1CC=C2CO
|
|
| MCULE-2878692561 |
0.66 |
Cl.COC([C@H]1[C@@H]2[C@@H](CNC2)OC1)=O
|
|
| MCULE-2449910899 |
0.66 |
CCOC(C(C(OCC)=O)CCCN1[C@@H]2[C@@H](COC2)C(C)(C)C1)=O
|
|
| MCULE-6634764110 |
0.66 |
CC1(OC(C)(C)C(NCCC2C(=O)OCC2)C1)C
|
|
| MCULE-4287832566 |
0.66 |
COC(C1C2(CN(C)CC2)OCC1=O)=O
|
|
| MCULE-2577773053 |
0.66 |
O=C1CCC2(CCCNC2)O1
|
|
| MCULE-3636847680 |
0.66 |
[I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)=C)C
|
|
| MCULE-2185301863 |
0.66 |
[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-1427730692 |
0.66 |
[C@@H]1(C)[C@@](C)(O)[C@H](C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
|
|
| MCULE-4162384918 |
0.66 |
CCCCCCC(C(OC)=O)(CN1CC2(CCOCC2)OCC1)O
|
|
| MCULE-7153043833 |
0.66 |
CCOC1CC2(CN(CC3OC(=O)C4(CC4)C3)CC2)C1
|
|
| MolPort-008-346-707 |
0.66 |
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-000-738-299 |
0.66 |
[I-].CC(=C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
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|
| MolPort-002-524-376 |
0.66 |
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
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|
| MolPort-046-153-846 |
0.66 |
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
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|
| MolPort-046-153-837 |
0.66 |
C[C@@H]1C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@H](C)[C@@]1(C)O)[C@@H]23
|
|
| MolPort-002-513-462 |
0.66 |
CC(C)CNCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O
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|
| MolPort-002-513-380 |
0.66 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCCO)[C@H]3[C@@H]3O[C@]123
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|
| MolPort-042-603-453 |
0.66 |
CCCCCCC(O)(CN1CCOC2(CCOCC2)C1)C(=O)OC
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|
| MolPort-002-521-989 |
0.65 |
CC1CN(CC2[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)O[C@H]5[C@]34OC2=O)CC(C)O1
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|
| MolPort-002-515-528 |
0.65 |
C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(CN3CCCC3)[C@@H]2CCC1=C
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0.65 |
[H][C]123OC(=O)[C]1([H])([C@@H]2C(C)C)[C@H]1CC[C@@H]2CN(C)[C@@H]3[C@]12C
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|
| MolPort-038-402-390 |
0.65 |
CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)C1(CO)CC1
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|
| MolPort-002-508-685 |
0.65 |
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-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-027-836-695 |
0.65 |
Cl.O=C1CCC2(CCCNC2)O1
|
|
| MCULE-8426729586 |
0.65 |
C1(CO)(CC1)C(=O)N[C@@H]1COCC[C@@H]1OC/C=C(/C)\C
|
|
| MCULE-9482796143 |
0.65 |
Cl.O=C1CCC2(CCCNC2)O1
|
|
| MCULE-2051357904 |
0.65 |
CCNC1CC(C2COCC2)(C)OC1
|
|
| MCULE-9312333238 |
0.65 |
CCNC1CC(C2COCC2)OC1
|
|
| MCULE-8902707234 |
0.65 |
CCOC([C@]12[C@@](OCC1)([H])CCNC2)=O
|
|
| MCULE-2986488119 |
0.65 |
C1CC(C(=O)OCC2CCC[N+]3(C)CCCCC32)NCC1
|
|
| MCULE-7252907887 |
0.65 |
[C@@]12([H])CCCN1CC[C@H]2COC(C[C@@](C(=O)OC)(O)CC(C)C)=O
|
|
| MCULE-6056274890 |
0.65 |
OC([C@H]1[C@@H]2[C@@H](CNC2)OC1)=O
|
|
| MCULE-9285535526 |
0.65 |
CCOC(C1CCC(N[C@H]2[C@H]3O[C@H](CC3)C2)CC1)=O
|
|
| MCULE-3024840480 |
0.65 |
Cl.CCOC1CC2(CN(CC3OC(=O)C4(CC4)C3)CC2)C1
|
|
| MCULE-8244262888 |
0.65 |
CCOC(C(C(NCC1OC(C)CC1)C)C)=O
|
|
| MCULE-6328173316 |
0.65 |
OC(C1CN(C2CC(C3CC3)OC2)C1)=O
|
|
| MCULE-3535284849 |
0.65 |
COCC1(CCOCC1)CNC1C2(OCCC2)CCC1
|
|
| MCULE-1287270109 |
0.65 |
CCOC(C1(C(N2CC3(CCCCC3)OCC2)=O)CCOCC1)=O
|
|
| MCULE-3532125991 |
0.65 |
[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-3263433021 |
0.65 |
C1(CCCC)(CC(OC1=O)CN1CCOCC1)C(OCC)=O
|
|
| MolPort-002-511-997 |
0.65 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCC(C)(C)C4)[C@H]3C3OC123
|
|
| MolPort-046-597-781 |
0.65 |
CC1CCCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)C1
|
|
| MolPort-002-513-544 |
0.65 |
CC1CCCN(CC2[C@H]3[C@@H]4O[C@@]44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)C1
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|
| MolPort-046-597-671 |
0.65 |
CC1CCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
|
|
| MolPort-002-513-716 |
0.65 |
CC1CCN(CC2[C@H]3[C@@H]4O[C@@]44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
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|
| MolPort-002-513-783 |
0.65 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCCCC4)[C@H]3[C@@H]3O[C@]123
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|
| MolPort-046-153-864 |
0.65 |
COC(=O)[C@](O)(CC(C)C)CC(=O)OC[C@@H]1CCN2CCC[C@@H]12
|
|
| MolPort-039-231-580 |
0.65 |
CCOC(=O)C1CCC(CC1)N[C@@H]1C[C@H]2CC[C@@H]1O2
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|
| MolPort-044-444-574 |
0.65 |
Cl.CCOC1CC2(C1)CCN(CC1CC3(CC3)C(=O)O1)C2
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|
| MolPort-039-287-843 |
0.65 |
CCOC(=O)C(C)C(C)NCC1CCC(C)O1
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|
| MolPort-042-607-330 |
0.65 |
CCOC(=O)C1(CCOCC1)C(=O)N1CCOC2(CCCCC2)C1
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|
| MolPort-002-582-493 |
0.65 |
CCCCC1(CC(CN2CCOCC2)OC1=O)C(=O)OCC
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|
| MolPort-035-848-310 |
0.64 |
C(C1CCC2(CCCCC2)O1)N1CCOCC2(CCOCC2)C1
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|
| MolPort-002-522-526 |
0.64 |
C[C@@H]1CC[C@H]2C(CN3CCOCC3)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CC[C@@H]12
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|
| MolPort-002-509-606 |
0.64 |
C=CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
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| MolPort-002-514-288 |
0.64 |
C[N+]12CCCC[C@@H]1[C@H](COC(=O)C=C)CCC2
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| MolPort-039-169-729 |
0.64 |
CCOCCN1CCCC1C1COCCC1(C)O
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CCOC(=O)C1CCCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)C1
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CC1CN(CC2[C@@H]3[C@@H](CC4=CCCC(C)[C@@]4(C)C3O)OC2=O)CC(C)O1
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COC(=O)C1NCCC1C1CCCO1
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|
| MolPort-002-532-110 |
0.64 |
COC(CNCC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)OC
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|
| MolPort-046-701-312 |
0.64 |
Cl.OC(=O)[C@@H]1CO[C@@H]2CNC[C@H]12
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0.64 |
COC(CN(C)CC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)OC
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0.64 |
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
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0.64 |
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
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0.64 |
CCC(CO)NCC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
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0.64 |
CO[C@]1(C)CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN4CCOCC4)[C@H]3CC12O
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0.64 |
O=C(COC1CCOC2(CCN(CC2)C(=O)C2CCOCC2)C1)N1CCCC1
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|
| MCULE-7611623453 |
0.64 |
C(N1CC2(CCOCC2)COCC1)C1OC2(CCCCC2)CC1
|
|
| MCULE-4094691449 |
0.64 |
N12CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=C
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|
| MCULE-5265450461 |
0.64 |
CCOCCN1C(C2C(O)(C)CCOC2)CCC1
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|
| MCULE-4440841937 |
0.64 |
CCNC1CC2(CCOCCC2)OC1
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|
| MCULE-5975824916 |
0.64 |
[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=C)C
|
|
| MCULE-1138929373 |
0.64 |
Cl.CCOC([C@]12[C@@](OCC1)([H])CCNC2)=O
|
|
| MCULE-1334170762 |
0.64 |
Cl.OC([C@H]1[C@@H]2[C@@H](CNC2)OC1)=O
|
|
| MCULE-9432103602 |
0.64 |
[I-].C1CC(C(=O)OCC2CCC[N+]3(C)CCCCC32)NCC1
|
|
| MCULE-7601880415 |
0.64 |
N1(C)C2CCC1CC(OC(=O)CN1CCCCC1)C2
|
|
| MCULE-3373126619 |
0.64 |
N1(CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1)C(C1CCOCC1)=O
|
|
| MCULE-8051804437 |
0.64 |
[C@@]12([H])[C@H](OC(=O)C)CCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
|
|
| MCULE-9645745208 |
0.64 |
[C@@]12([H])[C@H](OC(=O)C)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-7629911471 |
0.64 |
[C@@]12([H])[C@H](OC(C)=O)CCN1CC=C2COC([C@@](O)(C(O)(C)C)[C@H](O)C)=O
|
|
| MCULE-7505340622 |
0.64 |
OC1CC2(C3N(CCC3)CC2)OC1
|
|
| MCULE-5798644519 |
0.64 |
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-1241263810 |
0.64 |
C1C(C2OCC3(NCCOC3)C2)C1
|
|
| MCULE-5501061381 |
0.64 |
OC(CCN1C2C(COC2)CCC1)=O
|
|
| MCULE-5767001644 |
0.64 |
CC(C(O)=O)CN1C2C(COC2)CCC1
|
|
| MCULE-1450082233 |
0.64 |
O=C1CCN(C2CC(C3CC3)OC2)CC1
|
|
| MCULE-3871974740 |
0.64 |
CCCCOC(CCN1CC(C2CC2)OCC1)=O
|
|
| MCULE-4245203183 |
0.64 |
CCCCCCC(C(OC)=O)(CN1CC(CC(OC)=O)OCC1)O
|
|
| MCULE-3087496294 |
0.64 |
OCC1(NCC2OC3(CCC3)CC2)COCC1
|
|
| MCULE-7237795903 |
0.64 |
COCCC1(CCCCC1)CN1C2C(CCC(OC)C2)OCC1
|
|
| MCULE-5410367230 |
0.64 |
[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C=C)C.[I-]
|
|
| MCULE-5132490180 |
0.64 |
[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
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|
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0.64 |
CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12
|
|
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0.64 |
CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12
|
|
| MolPort-046-153-841 |
0.64 |
C[C@@H](O)C(O)(C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12)C(C)(C)O
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|
| MolPort-046-509-867 |
0.64 |
CCOC(=O)C1CCNC11COC1
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|
| MolPort-000-707-524 |
0.64 |
[I-].C[N+]12CCCC[C@@H]1[C@H](COC(=O)C=C)CCC2
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|
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0.64 |
COC(CNCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O)OC
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|
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0.64 |
CCOC(=O)C1CCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
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| MolPort-042-603-451 |
0.64 |
CCCCCCC(O)(CN1CCOC(CC(=O)OC)C1)C(=O)OC
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|
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0.64 |
COCCC1(CN2CCOC3CCC(CC23)OC)CCCCC1
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|
| MolPort-044-461-881 |
0.64 |
CCCCOC(=O)CCN1CCOC(C1)C1CC1
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|
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0.64 |
COC(CN(C)CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O)OC
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|
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0.64 |
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
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0.64 |
CCC(CO)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
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|
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0.64 |
CC(CO)(CO)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
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0.63 |
Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CN1CCCCC1
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|
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0.63 |
C[C@]12CCCC3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCC1CO
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0.63 |
CN1C2CC(CC1C1OC21)OC(=O)C(=C)C1=CC=CC=C1
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|
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0.63 |
CN1[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(=C)C1=CC=CC=C1
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O=C1OC(CN2CCCC22CCC2)CC11CC1
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CC(C)CC(=O)OC1CC2CC(O)C(C1)N2C
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Cl.OC[C@@H]1CO[C@@H]2CNC[C@H]12
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|
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0.63 |
NC(=O)C1(CNC2CCOC22CCCC2)CCOCC1
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|
| MolPort-046-153-842 |
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CC(C)C(O)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@H]12
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|
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COC1CNCC(C1)C(=O)OC(C)(C)C
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|
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0.63 |
C[C@]12CCCC3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCC1
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|
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0.63 |
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
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CC(C)C(O)(C(C)O)C(=O)OC[C@@H]1CCN2CCC[C@@H]12
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|
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0.63 |
CC(C)[C@](O)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@H]12
|
|
| MCULE-9560764754 |
0.63 |
CC1C(CNC2[C@@H]3[C@H]4C[C@H]2C[C@@H]4CO3)(O)CCO1
|
|
| MCULE-8673137679 |
0.63 |
OC(C(CN1C2C(COC2)CCC1)=C)=O
|
|
| MCULE-7419259479 |
0.63 |
CC(C1C2OC(=O)C1C1C3(C)C2N(C)CC3CC1)C
|
|
| MCULE-1082408800 |
0.63 |
[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-1468733429 |
0.63 |
N1(C)C2CCC1CC(OC(=O)CN1CCCCC1)C2.Cl.Cl
|
|
| MCULE-9729146455 |
0.63 |
N1(C)C2CCC1CC(OC(CNC1CCCCC1)=O)C2
|
|
| MCULE-9602198033 |
0.63 |
C12C3OC3C(N1C)CC(OC(C(=C)C1C=CC=CC=1)=O)C2
|
|
| MCULE-3780127528 |
0.63 |
O=C1C2(CC2)CC(CN2C3(CCC3)CCC2)O1
|
|
| MCULE-4869122368 |
0.63 |
C1C(O)C2N(C)C1CC(OC(CC(C)C)=O)C2
|
|
| MCULE-2942566151 |
0.63 |
C1CC2(C3C(COC3)NC2)C1
|
|
| MCULE-7033046587 |
0.63 |
NC(C1(CCOCC1)CNC1C2(CCCC2)OCC1)=O
|
|
| MCULE-8400765617 |
0.63 |
C1N2CCC(COC(C(O)(C(O)C)C(C)C)=O)C2([H])CC1
|
|
| MCULE-6319370704 |
0.63 |
[C@@](O)(C(C)C)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@@]21[H]
|
|
| MCULE-7077026909 |
0.63 |
[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-1535366901 |
0.63 |
[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-5878259061 |
0.63 |
OC1CC2(C3N(CCCC3)CC2)OC1
|
|
| MCULE-3323848720 |
0.63 |
[C@]12([H])CCCN1CC[C@H]2COC([C@](O)(C(C)C)[C@H](O)C)=O
|
|
| MCULE-9322352863 |
0.63 |
[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-2772273482 |
0.63 |
CC(N1C2C(COC2)CCC1)CC(O)=O
|
|
| MCULE-3024990220 |
0.63 |
C12C3CCC(CC1O2)N3C(C)(C)C
|
|
| MCULE-8827822690 |
0.63 |
[C@@]12(CCOC[C@H]1CN(CC(C)(C)CN1CCOCC1)C2)C(O)=O
|
|
| MCULE-9015308869 |
0.63 |
C12COCC1NCCC2C(O)=O
|
|
| MCULE-8599273844 |
0.63 |
Cl.Cl.N1(C)C2CCC1CC(OC(CNC1CCCCC1)=O)C2
|
|
| MCULE-8978021306 |
0.63 |
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-1152193008 |
0.63 |
OC(C(NC(CC1OCCCC1)=O)COCC=C)=O
|
|
| MCULE-7547702582 |
0.63 |
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-5310775910 |
0.63 |
CC1CNC2C(C)C3(C(C)=C4C(C5C(C4)C4(C)C(CC(O)CC4)C(=O)C5)CC3)OC2C1
|
|
| MCULE-1675826727 |
0.63 |
C1(C)(O)C(=O)OCC2=CCN3CCC(C32)OC(=O)C(C)C1(C)O
|
|
| MCULE-8867616609 |
0.63 |
N12CC=C3COC(=O)[C@@](O)(C)[C@@](O)(C)[C@@H](C)C(=O)O[C@@]([H])([C@]13[H])CC2
|
|
| MCULE-9022540105 |
0.63 |
[C@@]1(C)(O)C(=O)OCC2=CCN3CC[C@H]([C@]32[H])OC(=O)[C@H](C)[C@@]1(C)O
|
|
| MCULE-4334513380 |
0.63 |
CCC1(N(C)CCC1)COC(C1C2CC(CC2)C1)=O
|
|
| MCULE-1417245010 |
0.63 |
CC1(CC(OC)CC(C)(C)N1CCOC(=O)CCC(=O)C)C
|
|
| MCULE-7930478134 |
0.63 |
CC1(C(C2N(CCOCC(F)(F)F)CCC2)COCC1)O
|
|
| MCULE-7050470482 |
0.63 |
OC1C(C2N(CCOCC(F)(F)F)CCC2)COCC1
|
|
| MCULE-9334536143 |
0.63 |
C12(CC3CC(CC(C3)C1)C2)C(=O)OC1C2CCN(CC2)C1
|
|
| MCULE-5638188889 |
0.63 |
CC1N(C2CC2)CC2(OCC(O)C2)C1
|
|
| MolPort-002-513-469 |
0.63 |
C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCN1CCOCC1
|
|
| MolPort-044-754-047 |
0.63 |
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-002-519-484 |
0.63 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCC1CO
|
|
| MolPort-046-745-008 |
0.63 |
CC(C)(CN1C[C@@H]2COCC[C@@]2(C1)C(O)=O)CN1CCOCC1
|
|
| MolPort-006-392-364 |
0.63 |
Cl.CN1C2CC(CC1C1OC21)OC(=O)C(=C)C1=CC=CC=C1
|
|
| MolPort-046-764-844 |
0.63 |
[Br-].CCCC[N@@]1(C)C2C[C@H](CC1[C@@H]1O[C@H]21)OC(=O)C(=C)C1=CC=CC=C1
|
|
| MolPort-020-005-870 |
0.63 |
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-002-103-737 |
0.63 |
Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CNC1CCCCC1
|
|
| MolPort-001-742-605 |
0.63 |
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
|
|
| MolPort-019-937-253 |
0.63 |
CC1C(=O)OCC2=CCN3CCC(OC(=O)C(C)(O)C1(C)O)C23
|
|
| MolPort-000-157-648 |
0.63 |
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)C23
|
|
| MolPort-046-765-266 |
0.63 |
C[C@@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)[C@@H]23
|
|
| MolPort-000-704-499 |
0.63 |
O=C(OC1CN2CCC1CC2)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-023-332-296 |
0.63 |
COC1CC(C)(C)N(CCOC(=O)CCC(C)=O)C(C)(C)C1
|
|
| MolPort-028-784-518 |
0.63 |
CCC1(COC(=O)C2CC3CCC2C3)CCCN1C
|
|
| MolPort-039-062-264 |
0.63 |
COC1CC(C)(C)N(CCOC(=O)CCC(C)=O)C(C)(C)C1
|
|
| MolPort-044-873-341 |
0.63 |
CC1(O)CCOCC1C1CCCN1CCOCC(F)(F)F
|
|
| MolPort-039-241-428 |
0.63 |
Cl.C1CC2(C1)CNC1COCC21
|
|
| MolPort-002-726-877 |
0.63 |
COCCN1CCC(OC(C)=O)C2CCCCC12
|
|
| MolPort-002-516-968 |
0.63 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCN1CCOCC1
|
|
| MolPort-045-998-970 |
0.63 |
Cl.C1CC2(C1)CN[C@@H]1COC[C@H]21
|
|
| MolPort-002-280-893 |
0.63 |
CC(=O)OC(C(OC(C)=O)C(OC(C)=O)C(=O)NC1CCCCCC1)C(OC(C)=O)C(=O)NC1CCCCCC1
|
|
| MolPort-002-516-445 |
0.62 |
CC1CN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC(C)O1
|
|
| MolPort-009-680-770 |
0.62 |
[Br-].C[N+]1(CC2CC2)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-046-418-823 |
0.62 |
[Br-].C[N+]1(CC2CC2)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-000-841-322 |
0.62 |
OC(=O)C(O)=O.CCOC(=O)C1CCCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)C1
|
|
| MolPort-035-838-494 |
0.62 |
O=C(OC1(CC1)C1CCOC1)C1CN(C2CCCCCC2)C(=O)C1
|
|
| MolPort-009-758-405 |
0.62 |
[Br-].[Br-].CC(C)[C@](O)([C@@H](C)O)C(=O)OC[C@@H]1CC[N+]2(CCCCCCCCCC[N+]34CCC[C@H]3[C@H](COC(=O)[C@](O)(C(C)C)[C@@H](C)O)CC4)CCC[C@@H]12
|
|
| MolPort-000-715-811 |
0.62 |
[Br-].[Br-].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-046-774-759 |
0.62 |
Cl.CCOC(=O)C1CNCC(O)C1O
|
|
| MolPort-002-936-496 |
0.62 |
CCN1C[C@]23OC2C[C@H](O)[C@@]24C5C[C@H]6[C@H](OC)C5[C@](O)(C[C@@H]6OC)[C@@H](CC32)C14
|
|
| MolPort-002-524-540 |
0.62 |
CN(CC1OCCO1)CC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-046-153-862 |
0.62 |
CCC(C)[C@@](O)([C@@H](C)O)C(=O)OC[C@@H]1CCN2CCC[C@@H]12
|
|
| MolPort-002-530-678 |
0.62 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCC(CC4)N4CCCCC4)[C@H]3C3OC123
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|
| MolPort-002-512-487 |
0.62 |
CC12CC(CC(C)(C)C1)N(CC1[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC1=O)C2
|
|
| MolPort-000-716-048 |
0.62 |
O.C\C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-039-338-349 |
0.62 |
C\C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-692-258 |
0.62 |
C\C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-002-511-265 |
0.62 |
CC1=CC[C@]23O[C@@]2(C)CC[C@H]2C(CN4CCOCC4)C(=O)O[C@@H]2[C@@H]13
|
|
| MolPort-002-526-408 |
0.62 |
C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-009-758-385 |
0.62 |
O.C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-000-824-776 |
0.62 |
OC(=O)C(O)=O.COC(CNCC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)OC
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|
| MolPort-039-030-048 |
0.62 |
O.O.CCC1OC(=O)C(C)C(CC2CC(C)(OC)C(O)C(C)O2)C(C)C(CC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
|
|
| MolPort-000-719-723 |
0.62 |
CC(C)[C@H]1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)[C@H]23
|
|
| MolPort-046-153-833 |
0.62 |
C[C@H]1C(C)C(O)(CO)C(=O)O[C@@H]2CCN3CC=C(COC(=O)C1(C)O)[C@H]23
|
|
| MolPort-003-707-657 |
0.62 |
CC1(C)CC(CC(C)(C)N1)OC(=O)\C=C\C(=O)OC1CC(C)(C)NC(C)(C)C1
|
|
| MolPort-002-507-203 |
0.62 |
CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
|
|
| MolPort-002-152-394 |
0.62 |
CC1(C)CC(CC(C)(C)N1)OC(=O)\C=C/C(=O)OC1CC(C)(C)NC(C)(C)C1
|
|
| MolPort-041-712-150 |
0.62 |
OC(=O)CC1COCCN1C(=O)C1CC2CCC1O2
|
|
| MolPort-045-927-804 |
0.62 |
CC12CC3CC(C)(C1)CC(C3)(C2)OCCNC(=O)C1CC(=O)OC11CCCC1
|
|
| MolPort-001-569-409 |
0.62 |
CC1CN(CC(C)O1)C(=O)C1C2CCC(O2)C1C(O)=O
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|
| MolPort-006-169-994 |
0.62 |
[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-028-799-765 |
0.62 |
CCCCNC(C1CCCOC1)C(=O)OCC
|
|
| MolPort-046-646-817 |
0.62 |
CO[C@@H]1CN[C@H]2COC[C@@H]12
|
|
| MolPort-002-506-902 |
0.62 |
CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(CO)C1=CC=CC=C1
|
|
| MolPort-005-938-576 |
0.62 |
CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-044-754-028 |
0.62 |
CN1C2CC(CC1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-046-510-311 |
0.62 |
O[C@@H]1CN[C@H]2COC[C@@H]12
|
|
| MolPort-044-806-433 |
0.62 |
CCOC1CC1C(=O)N1CCOCC1C1CCCCC1O
|
|
| MCULE-9559561642 |
0.62 |
CC(C=O)(CN1C2COCC2CCC1)C
|
|
| MCULE-7267912606 |
0.62 |
Cl.C1CC2(C3C(COC3)NC2)C1
|
|
| MCULE-5690935213 |
0.62 |
CCC1C(NCC2(C3OCCCC3)CCC2)COCC1
|
|
| MCULE-7460936458 |
0.62 |
OCC1(CCOCC1)CNC1C2(OCCC2)CCC1
|
|
| MCULE-4751392649 |
0.62 |
C12CCCCC1N(CCC2OC(C)=O)CCOC
|
|
| MCULE-4253226649 |
0.62 |
C(OC(C)=O)(C(OC(C)=O)C(=O)NC1CCCCCC1)C(OC(C)=O)C(OC(C)=O)C(=O)NC1CCCCCC1
|
|
| MCULE-7291134473 |
0.62 |
CC(CCN1C2C(COC2)CCC1)=O
|
|
| MCULE-6948520599 |
0.62 |
O=CCCN1C2C(COC2)CCC1
|
|
| MCULE-2512632851 |
0.62 |
O=C(C1CC(=O)N(C2CCCCCC2)C1)OC1(C2COCC2)CC1
|
|
| MCULE-8711462705 |
0.62 |
[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-9900020708 |
0.62 |
[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-3630172217 |
0.62 |
C1CC2C(CCCN2CC1)COC(=O)CN1CCOCC1
|
|
| MCULE-5897801481 |
0.62 |
CC=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(O)(CO)C(C)C1
|
|
| MCULE-3414587626 |
0.62 |
C1(=C/C)\C[C@H]([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-9753454229 |
0.62 |
C1(=C/C)\C[C@@H]([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-3310875513 |
0.62 |
OC(C1CC1)CC(NC1C2(CCOCC2)OCC1)=O
|
|
| MCULE-8670586100 |
0.62 |
N1C(C)(C)CC(CC1(C)C)OC(=O)C=CC(=O)OC1CC(C)(C)NC(C)(C)C1
|
|
| MCULE-7850891265 |
0.62 |
C1(O)(CO)C(C)[C@@H](C(O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
|
|
| MCULE-5725050795 |
0.62 |
C1(C)(O)C(C(C)C)C(=O)OC2CCN3CC=C(C32[H])COC(=O)C1(C)O
|
|
| MCULE-8617603456 |
0.62 |
[C@@H]1(C(C)C)[C@@](C)(O)[C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
|
|
| MCULE-6390090045 |
0.62 |
[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-9493208453 |
0.62 |
C1(C2CCC(O2)C1C(O)=O)C(=O)N1CC(OC(C)C1)C
|
|
| 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-2226855694 |
0.62 |
CCCCNC(C(OCC)=O)C1COCCC1
|
|
| MCULE-3547461120 |
0.62 |
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-7340204889 |
0.62 |
COC(C(C1(OC)CCC1)N1CC2(COCC2)CC1)=O
|
|
| MCULE-1028052201 |
0.62 |
CCNC1CC2(CC(C)OCC2)OC1
|
|
| MCULE-7264133334 |
0.62 |
CCNC1CC2(CC(OC)C2)OC1
|
|
| MCULE-1606329466 |
0.62 |
C12C3CC(CC(N3C)C1O2)OC(=O)C(CO)C1=CC=CC=C1
|
|
| MCULE-6350961922 |
0.62 |
C12C3CC(CC([N+]3(C)CCCC)C1O2)OC(=O)C(CO)C1=CC=CC=C1
|
|
| MCULE-9148232132 |
0.62 |
C12C3CC(CC([N+]3(C)C)C1O2)OC(=O)C(CO)C1=CC=CC=C1
|
|
| MCULE-3029278491 |
0.62 |
[C@]12([H])O[C@@]1([H])[C@@]1([H])N(C)[C@]2([H])C[C@@H](OC(=O)[C@H](CO)C2C=CC=CC=2)C1
|
|
| MCULE-2978710107 |
0.62 |
O1[C@H]2[C@@H]1[C@@H]1C[C@@H](C[C@H]2[N+]1(C)C)OC([C@H](C1=CC=CC=C1)CO)=O
|
|
| MCULE-5389252451 |
0.62 |
C[N@+]1([C@]2(C[C@@H](C[C@@]1([C@@]1([C@@]2([H])O1)[H])[H])OC(=O)[C@H](CO)C1C=CC=CC=1)[H])CCCC
|
|
| MCULE-1049895234 |
0.62 |
[C@]12([C@@]3([H])C[C@@H](OC(=O)[C@H](CO)C4C=CC=CC=4)C[C@]([H])([N+]3(C)C)[C@]1([H])O2)[H]
|
|
| MCULE-1092339981 |
0.62 |
O1[C@H]2[C@@H]3C[C@H](C[C@H]([C@@H]12)N3C)OC([C@@H](C1=CC=CC=C1)CO)=O
|
|
| MCULE-4026899885 |
0.62 |
[C@@H]1(OC(=O)[C@@H](C2C=CC=CC=2)CO)C[C@H]2N(C)[C@H]([C@H]3[C@@H]2O3)C1
|
|
| MCULE-7324716873 |
0.62 |
C[N+]1([C@@H]2C[C@@H](OC(=O)[C@@H](C3C=CC=CC=3)CO)C[C@H]1[C@@H]1O[C@H]21)C
|
|
| MCULE-2402958729 |
0.62 |
O1[C@H]2[C@@H]1[C@@H]1C[C@@H](C[C@H]2[N@@+]1(C)CCCC)OC([C@H](C1=CC=CC=C1)CO)=O
|
|
| MCULE-9284040229 |
0.62 |
CCOC1C(C(N2C(C3C(O)CCCC3)COCC2)=O)C1
|
|
| MCULE-3110627671 |
0.62 |
Cl.C12(CC3CC(CC(C3)C1)C2)C(=O)OC1C2CCN(CC2)C1
|
|
| MCULE-8944665314 |
0.62 |
C1(CCOC)(CCCN(CCOCC)C1)C(O)=O
|
|
| MCULE-8971651094 |
0.62 |
O=C1CN(C2CC(C3CC3)OC2)CC1
|
|
| MCULE-4199169468 |
0.62 |
C1(CCCCC1)(N1CCOCC1)CC(OCC)=O
|
|
| MCULE-4873303316 |
0.62 |
OC1C(C2N(CCOCC(F)(F)F)CCC2)COCC1.I
|
|
| MCULE-3612364559 |
0.62 |
CC(N1C2C(COC2)CCC1)CC(C)=O
|
|
| MCULE-7902731091 |
0.62 |
O=C1CCN(C2CC3(CCC3)OC2)CC1
|
|
| MCULE-8021884146 |
0.62 |
CC(OC(CCN1CC2(CCC2)COCC1)=O)(C)C
|
|
| MCULE-7195118305 |
0.62 |
CC(C(O)=O)CN1C2COCC1CC2
|
|
| MCULE-1211352766 |
0.62 |
C12CCCCC1N(CCC2OC(C)=O)CCOC.[H]Cl
|
|
| MCULE-9836394796 |
0.62 |
CCCCCN(C(C)C)CC1OC(=O)C2(CC2)C1
|
|
| MCULE-4735130727 |
0.62 |
CC(O[C@H]1[C@H]2CC[C@@H](OC(C)=O)[C@H](N2)CC1)=O
|
|
| MCULE-7578638971 |
0.62 |
OC(CCN1C2COCC1CC2)=O
|
|
| MCULE-3242621239 |
0.62 |
CC(C(O)=O)(CN1C2COCC1CC2)C
|
|
| MCULE-3013798868 |
0.62 |
CCCNC1CC2(CC(C)OC2)OC1
|
|
| MCULE-8430889822 |
0.62 |
CC1OC2(CC(C3CC3)OC2)CNC1
|
|
| MCULE-5260058242 |
0.62 |
OC(C(CN1C2COCC1CC2)=C)=O
|
|
| MCULE-1310239871 |
0.62 |
N1(C)C2CCC1CC(OC(=O)CN1CCOCC1)C2
|
|
| MCULE-3620950411 |
0.62 |
C1(CC(OC21CCCC2)=O)C(=O)N1CCC2(CC1)CN(CCO2)CC1CC1
|
|
| MCULE-2635640267 |
0.62 |
N1CC(CC1CCCC)OCC1CC1
|
|
| MCULE-5920934022 |
0.62 |
C(OC(C)=O)(C(OC(C)=O)C(=O)NC1CCCCC1)C(OC(C)=O)C(OC(C)=O)C(=O)NC1CCCCC1
|
|
| MCULE-1638754111 |
0.62 |
N1(CCOCC1CC(OC)=O)C1CCCCC1
|
|
| MCULE-5662137056 |
0.62 |
OC(C(O)=O)CN1C2C(COC2)CCC1
|
|
| MCULE-7641833758 |
0.62 |
CCOC(C1CN(CC2OCCC2)CCC1)=O
|
|
| MCULE-8076139844 |
0.62 |
O=C1C2(CCCNC2)CC(C)(C)O1
|
|
| MCULE-8140520387 |
0.62 |
CN1CC(OC(C2CCCCC2)=O)CCC1
|
|
| MolPort-039-146-296 |
0.62 |
I.OC1CCOCC1C1CCCN1CCOCC(F)(F)F
|
|
| MolPort-002-513-596 |
0.62 |
COCCCNCC1[C@H]2CC3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-027-874-768 |
0.62 |
CCOCCN1CCCC(CCOC)(C1)C(O)=O
|
|
| MolPort-002-524-948 |
0.62 |
CC(C)CNCC1[C@H]2C[C@H]3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-002-524-386 |
0.62 |
C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCO
|
|
| MolPort-002-522-866 |
0.62 |
CN(CC1OCCO1)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-039-004-641 |
0.62 |
CCCCCN(CC1CC2(CC2)C(=O)O1)C(C)C
|
|
| MolPort-039-233-483 |
0.62 |
CC(C)(C)OC(=O)CCN1CCOCC2(CCC2)C1
|
|
| MolPort-002-532-582 |
0.62 |
CCOC(=O)C1CCCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
|
|
| MolPort-045-951-541 |
0.62 |
O=C(C1CC(=O)OC11CCCC1)N1CCC2(CC1)CN(CC1CC1)CCO2
|
|
| MolPort-000-918-811 |
0.62 |
CC(=O)OC(C(OC(C)=O)C(OC(C)=O)C(=O)NC1CCCCC1)C(OC(C)=O)C(=O)NC1CCCCC1
|
|
| MolPort-002-531-096 |
0.62 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCN(CCO)CC4)[C@H]3C3OC123
|
|
| MolPort-011-251-579 |
0.62 |
CCOC(=O)C1CCCN(CC2CCCO2)C1
|
|
| MolPort-046-418-648 |
0.61 |
[Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-046-765-987 |
0.61 |
[Br-].CCC[N@@+]1(C)C2C[C@H](CC1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-000-764-181 |
0.61 |
CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CN1CCCC1
|
|
| MolPort-002-140-207 |
0.61 |
Cl.CN1C2CC(CC1C1OC21)OC(=O)C(CO)C1=CC=CC=C1
|
|
| MolPort-002-532-538 |
0.61 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCC1
|
|
| MolPort-038-942-545 |
0.61 |
O.O.O.Br.CN1C2CC(CC1C1OC21)OC(=O)C(CO)C1=CC=CC=C1
|
|
| MolPort-046-690-943 |
0.61 |
Br.[2H]C([2H])([2H])N1[C@H]2CC(C[C@@H]1[C@@H]1O[C@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-046-033-499 |
0.61 |
[Br-].CCCC[N+]1(C)[C@H]2C[C@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-003-983-455 |
0.61 |
Br.CN1C2CC(CC1C1OC21)OC(=O)C(CO)C1=CC=CC=C1
|
|
| MolPort-003-983-417 |
0.61 |
[Br-].CCCC[N+]1(C)C2CC(CC1C1OC21)OC(=O)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-027-835-539 |
0.61 |
[Br-].CCCC[N@+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-009-758-227 |
0.61 |
Br.CN1C2CC(CC1[C@H]1OC21)OC(=O)C(CO)C1=CC=CC=C1
|
|
| MolPort-006-111-080 |
0.61 |
[Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-035-783-543 |
0.61 |
O.O.O.Br.CN1C2C[C@@H](C[C@H]1[C@H]1OC21)OC(=O)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-016-633-266 |
0.61 |
[Br-].C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-006-126-037 |
0.61 |
[Br-].CC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)C1=CC=CC=C1
|
|
| MolPort-039-052-331 |
0.61 |
[Br-].CCCC[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)C(CO)C1=CC=CC=C1
|
|
| MolPort-000-918-812 |
0.61 |
CC(=O)OC(C(OC(C)=O)C(OC(C)=O)C(=O)NCC1CCCO1)C(OC(C)=O)C(=O)NCC1CCCO1
|
|
| MolPort-046-544-740 |
0.61 |
CC(C)OC1CCC(CC1)NC1CCOC11CCCC1
|
|
| MolPort-038-387-521 |
0.61 |
O=C(NC[C@]12CC[C@H](O1)[C@H]1[C@@H]2C(=O)OC1=O)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-038-387-517 |
0.61 |
CC(C)(C)C(=O)NC[C@]12CC[C@H](O1)[C@H]1[C@@H]2C(=O)OC1=O
|
|
| MolPort-046-597-755 |
0.61 |
CC1(C)CCCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
|
|
| MolPort-002-513-375 |
0.61 |
C[C@]12CCC[C@]3(CO3)C1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCCCCC1
|
|
| MolPort-002-523-814 |
0.61 |
CC1CCN(CC2[C@H]3C[C@H]4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
|
|
| MolPort-002-513-573 |
0.61 |
CC1CCCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
|
|
| MolPort-046-136-568 |
0.61 |
CC(C)(C)OC(=O)C(C)(O)CNCC1(C)CCCCO1
|
|
| MolPort-002-513-444 |
0.61 |
CC1CCCCN1CC1[C@H]2CC3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-046-496-278 |
0.61 |
FC1(F)CCC(CNC2CCOC22CCOCC2)CC1
|
|
| MolPort-002-513-636 |
0.61 |
CC1(C)CCCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)C1
|
|
| MolPort-002-513-775 |
0.61 |
CC1CCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
|
|
| MolPort-001-899-735 |
0.61 |
O=C(C1CC(=O)OC11CCCCC1)N1CCOCC1
|
|
| MolPort-028-796-302 |
0.61 |
CCC(NCC1(C)CCCO1)C1(CCC1)C(=O)OC
|
|
| MolPort-020-007-937 |
0.61 |
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-046-729-978 |
0.61 |
Cl.CC(=O)O[C@@H]1CC[C@H]2N[C@@H]1CC[C@H]2OC(C)=O
|
|
| MolPort-045-909-797 |
0.61 |
CN(CCC1(O)CCCC1)CC1CCC(=O)O1
|
|
| MolPort-045-914-076 |
0.61 |
CN(CC1CCC(=O)O1)CC1(CO)CCCC1
|
|
| MolPort-044-754-046 |
0.61 |
C[C@@H]1OC11C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-038-992-233 |
0.61 |
CCC1CN(CCCCC2CCOCC2)CC2(CCOC2)O1
|
|
| MolPort-002-305-602 |
0.61 |
Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CN1CCOCC1
|
|
| MolPort-046-654-017 |
0.61 |
COC1(CNCC(C1)C(=O)OC(C)(C)C)OC
|
|
| MolPort-046-664-176 |
0.61 |
CCOC(=O)C1CNCC(C1)(OC)OC
|
|
| MCULE-5968512851 |
0.61 |
C12C3CC(CC([N+]3(C)CCCC)C1O2)OC(=O)C(CO)C1=CC=CC=C1.[Br-]
|
|
| MCULE-9784859575 |
0.61 |
O1[C@H]2[C@@H]1[C@@H]1C[C@@H](C[C@H]2[N@@+]1(C)CCCC)OC([C@H](C1=CC=CC=C1)CO)=O.[Br-]
|
|
| MCULE-2222459616 |
0.61 |
C[N@+]1([C@]2(C[C@@H](C[C@@]1([C@@]1([C@@]2([H])O1)[H])[H])OC(=O)[C@H](CO)C1C=CC=CC=1)[H])CCCC.[Br-]
|
|
| MCULE-2387598119 |
0.61 |
C[N+]1([C@@H]2C[C@@H](OC(=O)[C@@H](C3C=CC=CC=3)CO)C[C@H]1[C@@H]1O[C@H]21)C.[Br-]
|
|
| MCULE-8770434436 |
0.61 |
[Br-].C12C3CC(CC([NH+]3C)C1O2)([H])OC(=O)C(CO)C1C=CC=CC=1
|
|
| MCULE-8278287343 |
0.61 |
Cl.[C@]12([H])O[C@@]1([H])[C@@]1([H])N(C)[C@]2([H])C[C@@H](OC(=O)[C@H](CO)C2C=CC=CC=2)C1
|
|
| MCULE-1715946528 |
0.61 |
O1[C@H]2[C@@H]3C[C@H](C[C@H]([C@@H]12)N3C)OC([C@@H](C1=CC=CC=C1)CO)=O.Br
|
|
| MCULE-9231292450 |
0.61 |
O1[C@H]2[C@@H]1[C@@H]1C[C@@H](C[C@H]2[N+]1(C)C)OC([C@H](C1=CC=CC=C1)CO)=O.[Br-]
|
|
| MCULE-4003028645 |
0.61 |
[Br-].C12C3CC(CC([N+]3(C)C)C1O2)OC(=O)C(CO)C1=CC=CC=C1
|
|
| MCULE-9663035334 |
0.61 |
C1(CN2CCCC2)C2CC3C(CCCC3(CC2OC1=O)C)=C
|
|
| MCULE-5352772624 |
0.61 |
CCC1OCC(C(O)=O)(N2CCCC2)C1
|
|
| MCULE-5104591151 |
0.61 |
C(OC(C)=O)(C(OC(C)=O)C(=O)NCC1CCCO1)C(OC(C)=O)C(OC(C)=O)C(=O)NCC1CCCO1
|
|
| MCULE-2588369457 |
0.61 |
CCOC1(C(NC2C3C4(C(C3)CCO4)CCC2)=O)CCOCC1
|
|
| MCULE-8294418059 |
0.61 |
CC1OC(CCC(NC2(COCC2)CC(=O)O)=O)CC1
|
|
| MCULE-3534041226 |
0.61 |
CC(OC1CCC(NC2C3(CCCC3)OCC2)CC1)C
|
|
| MCULE-2951028964 |
0.61 |
CCNC1CC(C2COCCC2)OC1
|
|
| MCULE-1330133255 |
0.61 |
CC(OC(C(CNCC1(OCCCC1)C)(O)C)=O)(C)C
|
|
| MCULE-5250653514 |
0.61 |
FC1(CCC(CNC2C3(CCOCC3)OCC2)CC1)F
|
|
| MCULE-5053710551 |
0.61 |
C1(CC(OC21CCCCC2)=O)C(=O)N1CCOCC1
|
|
| MCULE-2804527919 |
0.61 |
OC(CC1OCCN(C(C2C3OC(CC3)C2)=O)C1)=O
|
|
| MCULE-9423420094 |
0.61 |
O1C(CCC1=O)CN(C)CCC1(CCCC1)O
|
|
| MCULE-8903965924 |
0.61 |
CC(N1C2COCC1CC2)C(C(O)=O)C
|
|
| MCULE-3321241772 |
0.61 |
CC(N1C2COCC1CC2)CC(O)=O
|
|
| MCULE-7657196861 |
0.61 |
OC(C1(CC1)CN1C2COCC1CC2)=O
|
|
| MCULE-3814611001 |
0.61 |
CCC(C1(C(OC)=O)CCC1)NCC1(OCCC1)C
|
|
| MCULE-4408641861 |
0.61 |
CC(N1C2COCC1CC2)(CC(O)=O)C
|
|
| MCULE-8706715803 |
0.61 |
[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-9851461246 |
0.61 |
[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-5952449029 |
0.61 |
Cl.CC(O[C@H]1[C@H]2CC[C@@H](OC(C)=O)[C@H](N2)CC1)=O
|
|
| MCULE-5910835461 |
0.61 |
CCC1OCC(N2CC(C(O)=O)CC2)C1
|
|
| MCULE-4307528719 |
0.61 |
O1C(CCC1=O)CN(C)CC1(CCCC1)CO
|
|
| MCULE-6434067942 |
0.61 |
C12(O[C@H]1C)C[C@H]([C@@](C)(O)C(=O)OCC1=CCN3[C@@]1([H])[C@H](OC2=O)CC3)C
|
|
| MCULE-5893495558 |
0.61 |
CCC1OCC2(C(C(OC)=O)CNC2)C1
|
|
| MCULE-2631270846 |
0.61 |
Cl.Cl.N1(C)C2CCC1CC(OC(=O)CN1CCOCC1)C2
|
|
| MCULE-9816536789 |
0.61 |
CCC1OC2(COCC2)CN(CCCCC2CCOCC2)C1
|
|
| MCULE-8422603639 |
0.61 |
O=C1C2(CC2)CC(CN2CC3(OCCO3)CC2)O1
|
|
| 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-4908744883 |
0.61 |
COC(C1(NC(C2C3(COCC3)C2)=O)COCC1)=O
|
|
| MCULE-8871825011 |
0.61 |
C(=O)(CCNCC1CCCO1)OC(C)(C)C
|
|
| MCULE-6856639774 |
0.61 |
CCC1OCC2(NCC2)C1
|
|
| MCULE-1283016853 |
0.61 |
CC(C(OCCN1CCCCCC1)=O)=C
|
|
| MCULE-7726335477 |
0.61 |
C(=O)(OC(C)(C)C)C(C)CNCC1CCCO1
|
|
| MCULE-2715166542 |
0.61 |
[N+]12(CCCCCCCC)CCC(C(OC(C)=O)C1)CC2
|
|
| MCULE-2954544786 |
0.61 |
C1C(C2OCC3(NCC3)C2)C1
|
|
| MCULE-2046787801 |
0.61 |
C(OCC)(=O)CCNCC1CCCO1
|
|
| MCULE-9331329328 |
0.61 |
CC(C1OCC2(NCC2)C1)C
|
|
| MCULE-1882683563 |
0.61 |
CCCC1C2(NCC2)COC1
|
|
| MCULE-2921195332 |
0.61 |
CCCNC1CC2(CCOCC2)OC1
|
|
| MCULE-2668463626 |
0.61 |
OCC1(NCC2CCC(O)CC2)COCC1
|
|
| MCULE-1848071026 |
0.61 |
Cl.CN1CC(OC(C2CCCCC2)=O)CCC1
|
|
| MCULE-5308968730 |
0.61 |
CCOC(CC1(N2CCOCC2)CCCC1)=O
|
|
| MCULE-5340701449 |
0.61 |
OC1CC(C(OC2CCC2)=O)CNC1
|
|
| MCULE-7032908248 |
0.61 |
[C@H]1(COCC[C@@H]1OC/C=C(/C)\C)NC1CCN(CC1)CC
|
|
| MCULE-8382857127 |
0.61 |
C1(=O)C(CCCCCC)CC(CN2CCOCC2)O1
|
|
| MCULE-2577825430 |
0.61 |
N1(C2CCOCC2)CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1
|
|
| MCULE-6064316924 |
0.61 |
CCC(OCC(N1C(C2C(O)(C)CCOC2)CCC1)=O)C
|
|
| MCULE-5052409519 |
0.61 |
N1(CCCC1)C(=O)COC1CCOC2(CCN(CC2)CCC)C1
|
|
| MCULE-2834527224 |
0.61 |
C1(CC(OC21CCCCC2)=O)C(=O)OC[C@@H]1CCCN2CCCC[C@@]21[H]
|
|
| MCULE-5294346427 |
0.61 |
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 |
0.61 |
C(C1CCOCC1)(=O)NCC1CCC2(CCNCC2)O1
|
|
| MCULE-1785033668 |
0.61 |
OC(CC1(NC(CCC2OCCCC2)=O)COCC1)=O
|
|
| MCULE-7658047731 |
0.61 |
CCN1C(CC(N2C3C(COCC3)CCC2)=O)COCC1
|
|
| MCULE-7097217826 |
0.61 |
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-4529653783 |
0.61 |
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-8412061145 |
0.61 |
C12(CCC3C(C(=O)C4C3CC=C3CC(O)CCC43C)=C1C)C(C)C1C(CC(CN1)C)O2
|
|
| MCULE-3084589589 |
0.61 |
[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-4520566918 |
0.61 |
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-7563320422 |
0.61 |
CC1OCC(N2CC(C(O)=O)(C)C2)CC1
|
|
| MCULE-2929182809 |
0.61 |
C(C)(=O)OC1CC2(CCC3C4CC(C(C4(C)CCC3C2(C)CC1[N+]1(C)CCCCC1)OC(C)=O)[N+]1(C)CCCCC1)[H]
|
|
| MCULE-9354885079 |
0.61 |
CCOC1C2(CCCCC2)C(NCC2(OC)CCOCC2)C1
|
|
| MCULE-6644198888 |
0.61 |
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-1942783227 |
0.61 |
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 |
0.61 |
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-1999705343 |
0.61 |
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-1360025512 |
0.61 |
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-9845613461 |
0.61 |
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-7428266389 |
0.61 |
C12(C)CCC3C(CCC4CC(C(N5CCCCC5)CC34C)OC(C)=O)C1CC([N+]1(CCCCC1)C)C2OC(C)=O
|
|
| MCULE-5039704962 |
0.61 |
CC1OCC(N2CC(C(O)=O)C2)CC1
|
|
| MCULE-9173575364 |
0.61 |
[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-6435356173 |
0.61 |
C1C(C2OCC3(OCCNC3)C2)C1
|
|
| MCULE-6917974240 |
0.61 |
CCNC1CC2(CC(C)(C)OC2)OC1
|
|
| MCULE-4992003320 |
0.61 |
CCNC1CC2(C(C)OC(C)C2)OC1
|
|
| MCULE-6447820968 |
0.61 |
COC(C1C2(COC(C)CC2)CNC1)=O
|
|
| MCULE-6149459172 |
0.61 |
CC1C(N2C3C(C(O)=O)C(C3)C2)COC1
|
|
| MCULE-8633177503 |
0.61 |
CCNC1CC2(C(CC)COC2)OC1
|
|
| MCULE-4259504923 |
0.61 |
CCNC1CC2(CC(CC)OC2)OC1
|
|
| MCULE-7025625854 |
0.61 |
CCNC1CC2(C(C)C(C)OC2)OC1
|
|
| MCULE-3660460824 |
0.61 |
CCC1OCC2(OC(C)C(C)NC2)C1
|
|
| MCULE-6703525166 |
0.61 |
CCNC1CC2(CC(C)OC2)OC1
|
|
| MCULE-3292106766 |
0.61 |
N1(CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1)C(=O)CC(C)C
|
|
| MCULE-2268593071 |
0.61 |
OC(C=CCN1C2C(COC2)CCC1)=O
|
|
| MCULE-6736043615 |
0.61 |
OC[C@H]1N(C(CC2OCC3(CCOCC3)CC2)=O)CCOC1
|
|
| MCULE-1866986142 |
0.61 |
[C@@]12(O[C@H]1C)C[C@@]1(OC1)[C@](O)(C)C(=O)OCC1=CCN3CC[C@@H](OC2=O)[C@@]13[H]
|
|
| MCULE-6335714149 |
0.61 |
N1(CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1)C(C(CC)CC)=O
|
|
| MCULE-2020707174 |
0.61 |
O=C(C1CN(C2COCC2)C1)NC1C2C(OCC2)CCC1
|
|
| MCULE-9497315463 |
0.61 |
OC(C1(NC(CCC2OCCC2)=O)COCC1)=O
|
|
| MCULE-3601491720 |
0.61 |
CC1OC(CCC(NC2(C(=O)O)COCC2)=O)CC1
|
|
| MCULE-7245299455 |
0.61 |
CC1(C2C(COCC(CN3CCC4(C(=O)OCC4)CC3)O)=CCC1C2)C
|
|
| MCULE-6048074824 |
0.61 |
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-6412196554 |
0.61 |
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-5574036494 |
0.61 |
[C@@H](OC(=O)C)([C@@H](OC(=O)C)C(=O)N1CCOCC1)[C@H](OC(=O)C)[C@H](OC(=O)C)COC(=O)C
|
|
| MCULE-4842611277 |
0.61 |
C[N+]1([C@@H]2[C@H]3[C@@H]([C@H]1C[C@@H](OC([C@@H](C1C=CC=CC=1)CO)=O)C2)O3)C.[Br-]
|
|
| MCULE-8145936025 |
0.61 |
[C@]12([H])O[C@@]1([H])[C@@]1([H])N(C)[C@]2([H])C[C@@H](OC(=O)[C@H](CO)C2C=CC=CC=2)C1.Br
|
|
| MCULE-7614327332 |
0.61 |
CN1[C@@H]2C[C@@H](OC(=O)[C@@H](C3C=CC=CC=3)CO)C[C@H]1[C@@H]1O[C@H]21.Br
|
|
| MCULE-1099479602 |
0.61 |
Cl.C12C3CC(CC(N3C)C1O2)OC(=O)C(CO)C1=CC=CC=C1
|
|
| MolPort-039-004-642 |
0.61 |
O=C1OC(CN2CCC3(C2)OCCO3)CC11CC1
|
|
| 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-046-091-801 |
0.61 |
COC(=O)C1(CCOC1)NC(=O)C1CC11CCOC1
|
|
| MolPort-046-588-318 |
0.61 |
CC(=C)C(=O)OCCN1CCCCCC1
|
|
| MolPort-004-007-120 |
0.61 |
Cl.CN1CCCC(C1)OC(=O)C1CCCCC1
|
|
| MolPort-038-427-917 |
0.61 |
CCN1CCC(CC1)N[C@@H]1COCC[C@@H]1OCC=C(C)C
|
|
| MolPort-000-704-782 |
0.61 |
CCCCCCC1CC(CN2CCOCC2)OC1=O
|
|
| MolPort-046-622-525 |
0.61 |
CCCN1CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1
|
|
| MolPort-000-731-614 |
0.61 |
O=C(OC[C@@H]1CCCN2CCCC[C@H]12)C1CC(=O)OC11CCCCC1
|
|
| MolPort-046-622-547 |
0.61 |
O=C(COC1CCOC2(CCN(CC2)C2CCOCC2)C1)N1CCCC1
|
|
| MolPort-039-124-585 |
0.61 |
O=C(NCC1CCC2(CCNCC2)O1)C1CCOCC1
|
|
| MolPort-044-589-674 |
0.61 |
CCC(C)OCC(=O)N1CCCC1C1COCCC1(C)O
|
|
| MolPort-002-511-467 |
0.61 |
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-002-513-413 |
0.61 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN(C)C)[C@H]3[C@@H]3O[C@]123
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|
| MolPort-002-513-711 |
0.61 |
CCN(CC)CCNCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-002-514-466 |
0.61 |
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-001-990-091 |
0.61 |
CC1C2NCC(C)CC2OC11CCC2C3CC=C4CC(O)CCC4(C)C3C(=O)C2=C1C
|
|
| MolPort-035-765-810 |
0.61 |
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-003-873-278 |
0.61 |
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-030-012-454 |
0.61 |
CCOC1CC(NCC2(CCOCC2)OC)C11CCCCC1
|
|
| MolPort-046-689-638 |
0.61 |
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-044-754-091 |
0.61 |
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-044-193-611 |
0.61 |
CC(=O)OC1C(CC2C3CCC4CC(OC(C)=O)C(CC4(C)C3CCC12C)N1CCCCC1)[N+]1(C)CCCCC1
|
|
| MolPort-019-936-979 |
0.61 |
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-046-690-871 |
0.61 |
[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 |
0.61 |
[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-009-757-940 |
0.61 |
Cl.CC1CCN(CC2[C@H]3CC4[C@@]5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
|
|
| MolPort-002-513-365 |
0.61 |
CC(NCC1[C@H]2CC3[C@@]4(CO4)CCC[C@]3(C)C[C@H]2OC1=O)C1C2CC3CC2CCC1C3
|
|
| MolPort-046-622-529 |
0.61 |
CCC(CC)C(=O)N1CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1
|
|
| MolPort-046-622-530 |
0.61 |
CC(C)CC(=O)N1CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1
|
|
| MolPort-009-758-508 |
0.61 |
OC(=O)C(O)=O.C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCC(CC4)N4CCCCC4)[C@H]3C3OC123
|
|
| MolPort-046-153-832 |
0.61 |
C[C@@H]1O[C@@]11C[C@]2(CO2)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-003-983-744 |
0.61 |
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-002-915-398 |
0.61 |
CC(=O)OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)N1CCOCC1
|
|
| MolPort-044-754-087 |
0.61 |
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-006-717-250 |
0.61 |
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 |
0.61 |
CC1C2NCC(C)CC2OC11CCC2C3CC=C4CC(O)CCC4(C)C3CC2=C1C
|
|
| MolPort-044-754-048 |
0.60 |
C\C=C1\CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-000-766-316 |
0.60 |
CC12CCCC(=C)C1CC1C(C2)OC(=O)C1CNCC1C2CC3C(=C)CCCC3(C)CC2OC1=O
|
|
| MolPort-038-387-513 |
0.60 |
CC(=O)NC[C@]12CC[C@H](O1)[C@H]1[C@@H]2C(=O)OC1=O
|
|
| MolPort-044-464-117 |
0.60 |
COCC1(CCOCC1)C(=O)N1CCOC2CC(CCC12)N(C)C
|
|
| MolPort-002-509-502 |
0.60 |
CCCCCCCCCCN(CCCCCCCCCC)CC1[C@H]2C[C@H]3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
|
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| MolPort-002-511-035 |
0.60 |
CCCCCCCCCCCCCCCCCCNCC1C2CC3C(=C)CCCC3(C)CC2OC1=O
|
|
| MolPort-002-523-538 |
0.60 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCO
|
|
| MolPort-001-986-464 |
0.60 |
CCOC(=O)C(C1CCCCC1)C(=O)NCC1CCCO1
|
|
| MolPort-002-513-672 |
0.60 |
CC(C)CNCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-002-513-921 |
0.60 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNC1CCCCC1
|
|
| MolPort-002-516-627 |
0.60 |
C[C@]12CCCC(=C)C1C[C@H]1[C@@H](C2)OC(=O)C1CNCCCN(CCO)CCO
|
|
| MolPort-002-513-714 |
0.60 |
CCC(C)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-002-516-887 |
0.60 |
CC(C)CCCC(C)NCC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
|
|
| MolPort-046-153-836 |
0.60 |
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)OC(C)=O)[C@H]23
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| MolPort-000-703-414 |
0.60 |
[I-].C[N+]12CCCC[C@H]1[C@@H](COC(=O)C1CC(=O)OC11CCCCC1)CCC2
|
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| MolPort-002-532-677 |
0.60 |
CCN1CCN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC1
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| MolPort-028-773-292 |
0.60 |
CC1(C)C(NC2CC(C)(C)OC2(C)C)C2CCOC12
|
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| MolPort-046-690-676 |
0.60 |
OC[C@@H](C(=O)OC1C[C@H]2N[C@H](C1)[C@@H]1O[C@H]21)C1=CC=CC=C1
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| MolPort-046-765-988 |
0.60 |
OC[C@@H](C(=O)OC1CC2NC(C1)C1OC21)C1=CC=CC=C1
|
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| MolPort-046-683-358 |
0.60 |
C\C=C(/C)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C
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| MolPort-002-522-592 |
0.60 |
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCN(CCOCCO)CC1
|
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| MolPort-027-941-621 |
0.60 |
C(C1CCOC1)N1CCOC2CCCCC12
|
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| MolPort-042-672-339 |
0.60 |
CC(=O)NC[C@H]1O[C@H](CCO)CC[C@@H]1OC(C)=O
|
|
| MolPort-041-779-177 |
0.60 |
OC(=O)[C@]12CN(C[C@H]1COCC2)C(=O)COCC1CC1
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| MolPort-002-530-957 |
0.60 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCN(CC4)C4CCCCC4)[C@H]3C3OC123
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| MolPort-002-516-358 |
0.60 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCN(C)CC4)[C@H]3[C@@H]3O[C@]123
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| MolPort-046-025-019 |
0.60 |
[Li+].[O-]C(=O)C1CCN2CCOCC12
|
|
| MolPort-020-093-965 |
0.60 |
Cl.CCOC(=O)CC1(CCCC1)N1CCOCC1
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| MolPort-038-960-610 |
0.60 |
COCC(NC1C2CCOC2C11CCC1)C1CC1
|
|
| MolPort-002-528-372 |
0.60 |
CCOC(=O)C1CCCN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)C1
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| MolPort-039-338-409 |
0.60 |
OCC(C(=O)O[C@@H]1C[C@H]2N[C@@H](C1)[C@@H]1O[C@H]21)C1=CC=CC=C1
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| MolPort-035-751-382 |
0.60 |
COC(=O)C(C)(C)CCN1CCOC(C1)C1CCCO1
|
|
| MolPort-039-227-857 |
0.60 |
CCC(NC1C2CCOC2C1(C)C)C(=O)OC
|
|
| MolPort-046-622-568 |
0.60 |
O=C(COC1CCOC2(CCN(CC2)C2CCCC2)C1)N1CCCC1
|
|
| MolPort-002-516-359 |
0.60 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN4CCCCC4)[C@H]3[C@@H]3O[C@]123
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|
| MolPort-046-153-858 |
0.60 |
CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
|
|
| MolPort-046-153-859 |
0.60 |
CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@H](O)[C@H]12
|
|
| MolPort-046-153-850 |
0.60 |
CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
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|
| MolPort-002-526-806 |
0.60 |
CC(C)[C@@](O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
|
|
| MolPort-046-153-848 |
0.60 |
CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
|
|
| MolPort-046-762-541 |
0.60 |
[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
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0.60 |
[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
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0.60 |
CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CCOCC3)[C@@H](O)[C@H]2O1
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0.60 |
CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CCCC3)[C@@H](O)[C@H]2O1
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|
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0.60 |
CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CCCCC3)[C@@H](O)[C@H]2O1
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| MolPort-038-385-448 |
0.60 |
CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNC3CCC3)[C@@H](O)[C@H]2O1
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0.60 |
CC(=O)NC1C(OCC=C)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O
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0.60 |
CC(C)(CN1C[C@@H]2COCC[C@@]2(C1)C(O)=O)N1CCOCC1
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| MolPort-044-456-874 |
0.60 |
COC1(CO)CCN(CC2CCC3(CCCCC3)O2)CC1
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0.60 |
[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
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| MolPort-044-604-427 |
0.60 |
C=CC(=O)N1CC2(CCC2)C2COCC12
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|
| MolPort-003-983-449 |
0.60 |
[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
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0.60 |
[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
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0.60 |
CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(C)C)[C@@H](O)[C@H]2O1
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0.60 |
[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
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0.60 |
[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
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0.60 |
[Br-].CC(=O)OC1C(CC2C3CCC4CC(OC(C)=O)C(CC4(C)C3CCC12C)N1CCCCC1)[N+]1(C)CCCCC1
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| MolPort-044-750-007 |
0.60 |
COC(=O)C(CNC1CCOC1)CC1CC1
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0.60 |
CCOC(=O)C1CCN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC1
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CNC(=O)CCN1CCOC2CCC(CC12)OC
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0.60 |
[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
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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
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Cl.CC1(C)C2CC1C(COCC(O)CN1CCC3(CCOC3=O)CC1)=CC2
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CCOC(=O)C1CCCN(C1)C1CC(C)OC1=O
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0.60 |
CC1CCC(CCC(=O)N2CCOCC2CC(O)=O)O1
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0.60 |
[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
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CN1CCC2(CN[C@@H]3COC[C@H]23)CC1
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0.60 |
CC(=O)N[C@H]1[C@H](OCC=C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
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| MolPort-046-622-466 |
0.60 |
CN(C)C(=O)COC1CCOC2(CCN(CC2)C(=O)C2CCOCC2)C1
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|
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CCN1CC2(CCNCC2)[C@@H]2COC[C@H]12
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|
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0.60 |
COC(C1C(C2OCCCC2)CNC1)=O
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|
| MCULE-3904054671 |
0.60 |
CCC1OCC2(OC(C)CNC2)C1
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|
| MCULE-4156408958 |
0.60 |
CCCC1C2(OC(C)CNC2)COC1
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|
| MCULE-8850231818 |
0.60 |
CC1OCC2(C(C(O)=O)CNC2)CC1
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|
| MCULE-6180378660 |
0.60 |
Cl.O=C1C2(NCCC2)CCO1
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|
| MCULE-2041453746 |
0.60 |
NC(C(O)=O)CN1C2C(COC2)CCC1
|
|
| MCULE-3346045195 |
0.60 |
C12(O)CC3C4(C(O)CCC3(CN(CC)C41)COC)C1C3C(C(C1)C(OC)CC23O)OC(C)=O
|
|
| MCULE-5005549176 |
0.60 |
CCC1OCC2(OC(CC)CNC2)C1
|
|
| MCULE-9700723319 |
0.60 |
CCC1OCC2(OC(C)(C)CNC2)C1
|
|
| MCULE-8086069774 |
0.60 |
CC(C1OCC2(OC(C)CNC2)C1)C
|
|
| MCULE-7590901353 |
0.60 |
CCCNC1CC2(C(C)OCC2)OC1
|
|
| MCULE-4659933370 |
0.60 |
[NH+]1(C)C2CCC1CC(OC(=O)CC[NH+](CC)CC)C2
|
|
| MCULE-5957450221 |
0.60 |
CNC1CC2(C3CN(CC3)CC2)OC1
|
|
| MCULE-6942952984 |
0.60 |
CC1(OC(CN2CCC3(CCOCC3)OCC2)CC1)C
|
|
| MCULE-5328556833 |
0.60 |
N1(C)C2CCC1CC(OC(=O)CCN1CCCCC1)C2
|
|
| MCULE-1664693430 |
0.60 |
OC(CCN1C2C(CCCC2)OCC1)=O
|
|
| MCULE-6068107573 |
0.60 |
OC1C(C2N(CC3CCOCC3)CCOC2)CCC1
|
|
| MCULE-7545978849 |
0.60 |
N1(C)C2CCC1CC(OC(=O)CCN1CCCC1)C2
|
|
| MCULE-3102462677 |
0.60 |
C12C(C(OCCCC)=O)C3OC1(C=C3)CN(C(C)CC)C2=O
|
|
| MCULE-6387768884 |
0.60 |
[C@@]12([H])C(C(OCCCCC)=O)[C@@H]3O[C@]1(C=C3)CN(CC(C)C)C2=O
|
|
| MCULE-9630400916 |
0.60 |
[C@@]12([H])C(C(OCCCCC)=O)[C@@H]3O[C@]1(C=C3)CN(CCCC)C2=O
|
|
| MCULE-4999976063 |
0.60 |
C12C(C(OCCCC)=O)C3OC1(C=C3)CN(C(C)C)C2=O
|
|
| MCULE-3857064447 |
0.60 |
[C@@H]1(C)[C@H](C)[C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
|
|
| MCULE-8339457270 |
0.60 |
C1(C)C(C)C(C(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
|
|
| MCULE-2538032722 |
0.60 |
N1CC(CC1CCCC)OCCCC
|
|
| MCULE-1952990449 |
0.60 |
N1CC(CC1CCCC)OCC(C)C
|
|
| MCULE-4983479865 |
0.60 |
N1CC(CC1CCCC)OCCC(C)C
|
|
| MCULE-6411300566 |
0.60 |
N1CC(CC1CCC)OCC1CC1
|
|
| MCULE-2588146194 |
0.60 |
N1CC(CC1CC(C)C)OCC1CC1
|
|
| MCULE-7813149467 |
0.60 |
C1(=C/C)\CC([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])=C
|
|
| MCULE-7954237417 |
0.60 |
CN1C(C)(C)CC2(OCC(O)C2)C1
|
|
| MCULE-4158034372 |
0.60 |
CC1N(C)CC2(OCC(O)C2)C1
|
|
| MCULE-6680430847 |
0.60 |
CC1OCC(N2CC(C(O)=O)CC2)CC1
|
|
| MCULE-2103412004 |
0.60 |
C12(CCCNC1)CCOC2=O
|
|
| MCULE-2252140912 |
0.60 |
OC(C(CN1C2C(COC2)CCC1)Cl)=O
|
|
| MCULE-7478824453 |
0.60 |
C1(=O)OC2C(CC3C(C)(CCCC3=C)C2)C1CNCC1C2CC3C(CCCC3(CC2OC1=O)C)=C
|
|
| MCULE-7385234822 |
0.60 |
C1(=O)OC2C(CC3C(C)(CCCC3=C)C2)C1CNCCCCCCCCCCCCCCCCCC
|
|
| MCULE-3682515746 |
0.60 |
OC(C(NC(CC1OCCC1)=O)COCC=C)=O
|
|
| MCULE-2675366734 |
0.60 |
C(C1CCCCC1)(C(OCC)=O)C(=O)NCC1CCCO1
|
|
| MCULE-4284231660 |
0.60 |
O=C(NC1C2C(OCC2)CCC1)CC1NCCOC1
|
|
| MCULE-7946662537 |
0.60 |
CCN1C(CC(NC2CC(C3CC3)OCC2)=O)COCC1
|
|
| MCULE-2778464031 |
0.60 |
COCC1(C(N2C3C(CC(N(C)C)CC3)OCC2)=O)CCOCC1
|
|
| MCULE-9067110082 |
0.60 |
C(C1OC1)CN1C2COCC1CC2
|
|
| MCULE-6224989776 |
0.60 |
[N+]12(CCCCCCCC)CCC(C(OC(C)=O)C1)CC2.[Br-]
|
|
| MCULE-5148069043 |
0.60 |
CCC1OCC2(NCCOC2)C1
|
|
| MCULE-4721633162 |
0.60 |
CC1(C2C(CCO2)C1NC1C(C)(C)OC(C)(C)C1)C
|
|
| MCULE-8749750630 |
0.60 |
CC(C1(CCOCC1)O)(CNC1C2(OCCC2)CCC1)C
|
|
| MCULE-3876120526 |
0.60 |
COCC(C1CC1)NC1C2(CCC2)C2C1CCO2
|
|
| MCULE-4199903278 |
0.60 |
CCCC1C(N2CCC(=O)CC2)COC1
|
|
| MCULE-8625629483 |
0.60 |
CC(C1OCC2(NCCOC2)C1)C
|
|
| MCULE-4050649236 |
0.60 |
CC12OCC(C1)(CN1CC(C3CCC3)COCC1)C2
|
|
| MCULE-7719751340 |
0.60 |
CCCC1C2(NCCOC2)COC1
|
|
| MCULE-5800547500 |
0.60 |
CC(O[C@@H]1C[C@H](NC2C3(OCCC3)CCC2)C1)C
|
|
| MCULE-7762793948 |
0.60 |
C(N1C2C(CCCC2)OCC1)C1COCC1
|
|
| MCULE-3410400634 |
0.60 |
CC(C1OCCCN(C[C@@]2([C@@H](CC(O)=O)CCCC2)O)C1)C
|
|
| MCULE-8136172928 |
0.60 |
O=C1C2(NCCC2)CCO1
|
|
| MCULE-8080829406 |
0.60 |
C([N+](C)(C)C)[C@H](OC(=O)/C(/C)=C/C)CC([O-])=O
|
|
| MCULE-4411579160 |
0.60 |
O=C1CN(C2CC3(CCC3)OC2)CC1
|
|
| MCULE-6995197965 |
0.60 |
CCC(C(OC)=O)NC1C(C)(C)C2C1CCO2
|
|
| MCULE-8062912705 |
0.60 |
Cl.CCOC(CC1(N2CCOCC2)CCCC1)=O
|
|
| MCULE-1672286685 |
0.60 |
COC(C(CCN1CC(C2OCCC2)OCC1)(C)C)=O
|
|
| MCULE-6679878832 |
0.60 |
CCOC(C(C1COCCC1)NCC1CCNCC1)=O
|
|
| MCULE-8719172381 |
0.60 |
N1(C2CCCC2)CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1
|
|
| MCULE-6079527123 |
0.60 |
CC1OC(C)C(C(NC2(COCC2)CO)=O)C1
|
|
| MCULE-4015820533 |
0.60 |
OC([C@@]12CCOC[C@@H]1CN(C(COCC1CC1)=O)C2)=O
|
|
| MCULE-4046680923 |
0.60 |
COC1(OC)C(NC(C23C(C)(C)OCC2C3)=O)COCC1
|
|
| MCULE-7228742209 |
0.60 |
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-2373510647 |
0.60 |
[C@@H]12O[C@@H]1[C@@H]1N[C@H]2C[C@H](OC(=O)C(CO)C2C=CC=CC=2)C1
|
|
| MCULE-7953027857 |
0.60 |
C1(CN2CC[NH+](CCOCCO)CC2)C2CC3C(C)(CCCC3=C)CC2OC1=O
|
|
| MCULE-4986817328 |
0.60 |
[C@@]12([H])[C@@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
|
|
| MCULE-5065848832 |
0.60 |
[C@]12([H])[C@@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-1014292696 |
0.60 |
[C@@]12([H])[C@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-1499800054 |
0.60 |
[N+]12(C)CCC(O)C1C(=CC2)COC(=O)C(O)(C(C)C)C(C)O
|
|
| MCULE-1481800775 |
0.60 |
[C@@]12([H])[C@H](O)CCN1CC=C2COC([C@@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-1834338412 |
0.60 |
[C@@]12([H])[C@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
|
|
| MCULE-2112951562 |
0.60 |
CC(C1OCC2(C(C(O)=O)CNC2)C1)C
|
|
| MCULE-5519103580 |
0.60 |
C(O)(=O)CCC(OCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O)=O
|
|
| MCULE-6774789628 |
0.60 |
[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-9206341189 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC(C)C)[C@@H]1O)C1CCC1
|
|
| MCULE-1430494253 |
0.60 |
CC1OC(CCC(N2C(CC(=O)O)COCC2)=O)CC1
|
|
| MCULE-5989447169 |
0.60 |
OC(C1C2(CC(C3CC3)OC2)CNC1)=O
|
|
| MCULE-9997837134 |
0.60 |
OC(C1(NC(CCC2OCCCC2)=O)COCC1)=O
|
|
| MCULE-2510117782 |
0.60 |
COC(C(CC1CC1)CNC1COCC1)=O
|
|
| MCULE-5424032036 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC(C)C)[C@@H]1O)C1CCCC1
|
|
| MCULE-4093472582 |
0.60 |
C=CC(N1C2C(COC2)C2(CCC2)C1)=O
|
|
| MCULE-6312793204 |
0.60 |
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-2275165086 |
0.60 |
CCC1OCC2(C(C(O)=O)CNC2)C1
|
|
| MCULE-9073242213 |
0.60 |
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-4620550742 |
0.60 |
CNC1CC2(C3N(CCC3)CC2)OC1
|
|
| MCULE-7613661425 |
0.60 |
CNC(CCN1C2C(CCC(OC)C2)OCC1)=O
|
|
| MCULE-1752229824 |
0.60 |
C1CC2C(CCC[N+]2(C)CC1)COC(C1CCNCC1)=O
|
|
| MCULE-6555070159 |
0.60 |
C12(C)CCC3C(CCC4CC(C(N5CCCCC5)CC34C)OC(C)=O)C1CC([N+]1(CCCCC1)C)C2OC(C)=O.[Br-]
|
|
| MCULE-5651247225 |
0.60 |
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-5217429475 |
0.60 |
N1(CCC2(CC1)CC(CCO2)OCC(=O)N(C)C)C(C1CCOCC1)=O
|
|
| MCULE-7958041977 |
0.60 |
CC(NC1C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC1OCC=C)=O
|
|
| MCULE-9973484779 |
0.60 |
C1(CCCC1)(N1CCOCC1)C(CN)C(OCC)=O
|
|
| MCULE-7182193529 |
0.60 |
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-5409780377 |
0.60 |
CC1(C2C(COCC(CN3CCC4(C(=O)OCC4)CC3)O)=CCC1C2)C.Cl
|
|
| MCULE-9402104350 |
0.60 |
COC(C1C2(C(C)C(C)OC2)CNC1)=O
|
|
| MCULE-5533307091 |
0.60 |
[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-5958737035 |
0.60 |
CCOC(C1C2(CC(C)OC2)CNC1)=O
|
|
| MCULE-8339569500 |
0.60 |
CC(OC1C2(C)C(C3C(CC2)C2(C)C(CC(C(N4CCOCC4)C2)O)CC3)CC1[N+]1(CCCC1)CC=C)=O
|
|
| MCULE-5918538412 |
0.60 |
CCOC(C1CN(C2C(=O)OC(C)C2)CCC1)=O
|
|
| MCULE-7004468628 |
0.60 |
[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-3471500785 |
0.60 |
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-9314961625 |
0.60 |
NC1CC2(C3N(CCC3)CC2)OC1
|
|
| MCULE-6012254067 |
0.60 |
[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
|
|
| MCULE-8302298279 |
0.60 |
CCNC1CC2(CN(C)CCC2)OC1
|
|
| MCULE-3173053871 |
0.60 |
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-3081259506 |
0.60 |
[C@@]12(CCOC[C@H]1CN(CC(C)(C)N1CCOCC1)C2)C(O)=O
|
|
| MCULE-9230891451 |
0.60 |
CCC1C2(C(C(OC)=O)CNC2)COC1
|
|
| MCULE-4942345876 |
0.60 |
C1(CCCCC1)(N1CCOCC1)C(CN)C(OCC)=O
|
|
| MCULE-7678112597 |
0.60 |
COC1(CCN(CC2OC3(CCCCC3)CC2)CC1)CO
|
|
| MCULE-6806467693 |
0.60 |
CC1C(N2C(CC(O)=O)CCC2)COC1
|
|
| MCULE-9273757492 |
0.60 |
CCCC1C2(C(C(O)=O)CNC2)COC1
|
|
| MCULE-3821901836 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC(C)C)[C@@H]1O)C1CCCCC1
|
|
| MCULE-6965155718 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NCCC)[C@@H]1O)C(C)C
|
|
| MCULE-1155312243 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC(C)C)[C@@H]1O)C1CCOCC1
|
|
| MCULE-2006161242 |
0.60 |
CCC1C(C(O)=O)(N2CCCC2)COC1
|
|
| MCULE-3032025412 |
0.60 |
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-1247483081 |
0.60 |
C1(CCCCC)(C(OCC)=O)C(C)C(OC1=O)C(=O)NC1CCCCC1
|
|
| MCULE-5221700413 |
0.60 |
CC1(C2C(CCCO2)C1NC(CC1NCCOC1)=O)C
|
|
| MCULE-2116554588 |
0.60 |
COC1(OC)C(NC(CC2OCCCC2)=O)COCC1
|
|
| MCULE-5395605263 |
0.60 |
CC1(C(NC(C(=O)O)COCC=C)=O)COCCC1
|
|
| MCULE-9014698955 |
0.60 |
OC(C(NC(CCC1OCCC1)=O)COCC=C)=O
|
|
| MCULE-2202092637 |
0.60 |
O=C(N1C2C(COCC2)CCC1)CC1NCCOC1
|
|
| MCULE-1460460899 |
0.60 |
OC(CC1OCCN(C(CC2OCCCC2)=O)C1)=O
|
|
| MCULE-7216753221 |
0.60 |
CC1OC(CCC(NC(C(=O)O)COCC=C)=O)CC1
|
|
| MCULE-4656613418 |
0.60 |
CC(OC([C@H]1C(C)(C)[C@H]1C(NC1(COCC1)CO)=O)=O)(C)C
|
|
| MCULE-9768846052 |
0.60 |
COCC(NC(C1C2OC(CC2)C1)=O)(CC(=O)O)C
|
|
| MCULE-6230874583 |
0.60 |
CC(CCOC(C(NC1CC2(CCOCC2)OCC1)=O)C)C
|
|
| MCULE-2169681786 |
0.60 |
C[C@H]1O[C@@H]2[C@@H](N[C@H](C(O)=O)C2)C1
|
|
| MCULE-3059404401 |
0.60 |
COC(CC(NC1(C(C2CC2)OCC1)C)=O)=O
|
|
| MCULE-8122860843 |
0.60 |
[C@H]1(CN2CCCCC2)C2C[C@@]3([H])C(CCC[C@@]3(CC2OC1=O)C)=C
|
|
| MCULE-7463368115 |
0.60 |
CCOC(C(CN1CCC(OCC2COCC2)CC1)=C)=O
|
|
| MCULE-7225818953 |
0.60 |
C1(CCCNC1)(CCOC)C(OCC)=O
|
|
| MCULE-9825758758 |
0.60 |
CC1C(N2CCCC2)(CC(O)=O)COC1
|
|
| MCULE-9035154032 |
0.60 |
CC(C(O)=O)(CN1C2COCC1CC2)O
|
|
| MCULE-4186604035 |
0.60 |
CC1OCC(NC2C(C(O)=O)CC2)CC1
|
|
| MCULE-8746102120 |
0.60 |
CCOC(C1CCC(NC2COCCC2)CC1)=O
|
|
| MCULE-9901076880 |
0.60 |
NC(CCN1C2C(COC2)CCC1)=O
|
|
| MCULE-8376180177 |
0.60 |
OC(C(O)=O)CN1C2COCC1CC2
|
|
| MCULE-2775982131 |
0.60 |
CC(C(OC(C)(C)C)=O)NC1C(C2CC2)OCC1
|
|
| MCULE-6287462592 |
0.60 |
CCNC1CC(C2CCOCC2)OC1
|
|
| MCULE-5167089946 |
0.60 |
CCCC1C2(C(CO)NCC2)COC1
|
|
| MCULE-7042550983 |
0.60 |
CCC1(COC1)CNC1C2(OCCC2)CCC1
|
|
| MCULE-4557128346 |
0.60 |
CC([C@@H]1[C@@H](CNC2COCCC2)CCO1)(C)C
|
|
| MCULE-5224497928 |
0.60 |
CC1(NCCOC1)CC1OCCC1
|
|
| MCULE-6988472002 |
0.60 |
CC(C1(OCCC1)C)NCC1(CCOCC1)CO
|
|
| MCULE-5978480981 |
0.60 |
CC(C1OCC2(C(CO)NCC2)C1)C
|
|
| MCULE-1994729123 |
0.60 |
C1CC[N+](CC1)(C)CCOCC1CCC[N+]2(CCCCC21)C
|
|
| MCULE-4626940759 |
0.60 |
CCNC1CC2(C(C)COCC2)OC1
|
|
| MCULE-3598679265 |
0.60 |
OC1CC(C2OCCC2)NC1
|
|
| MCULE-4439033625 |
0.60 |
CCC1OCC2(C(CO)NCC2)C1
|
|
| MCULE-3198469856 |
0.60 |
C(C1OC1)CN1C2C(COC2)CCC1
|
|
| MCULE-7481271494 |
0.60 |
C(=O)(C(C)=C)OC1CC(C)(C)NC(C)(C)C1
|
|
| MCULE-3107680235 |
0.60 |
CCCCN1C(COC(C)=O)CCCC1
|
|
| MCULE-7305711469 |
0.60 |
CC1OCC2(C(CO)NCC2)CC1
|
|
| MCULE-5973913002 |
0.60 |
CCNC1CC2(CCOCC2)OC1
|
|
| MCULE-3802865413 |
0.60 |
OCC1C2(CC(C3CC3)OC2)CCN1
|
|
| MCULE-7853598453 |
0.60 |
C1(=C)[C@H](C)[C@@H]([C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
|
|
| MCULE-1990314969 |
0.60 |
[N+]12(C)CCC(O)C1C(=CC2)COC(=O)C(O)(C(C)C)C(C)O.[I-]
|
|
| MCULE-1156496490 |
0.60 |
[C@@](O)(C(C)C)([C@@H](C)OC)C(=O)OCC1=CCN2CC[C@H](O)[C@]21[H]
|
|
| MCULE-6984575106 |
0.60 |
C(O)(C(C)C)(C(C)OC)C(=O)OCC1=CCN2CCC(O)[C@]21[H]
|
|
| MCULE-8261441210 |
0.60 |
[C@@]12([H])[C@@H](O)CCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@@H](C)OC
|
|
| MCULE-8318618542 |
0.60 |
C1(O)CCN2C1([H])C(COC(C(C(OC)C)(C(C)C)O)=O)=CC2
|
|
| MCULE-9827030814 |
0.60 |
C1(O)C2C(COC(=O)C(O)(C(C)C)C(OC)C)=CC[N+]2(C)CC1
|
|
| MCULE-9372385729 |
0.60 |
[C@@]12([H])[C@@H](O)CCN1CC=C2COC([C@@](O)(C(C)C)[C@H](OC)C)=O
|
|
| MCULE-4863240259 |
0.60 |
CCOC1C2(OCCC2)C(NC(C2(OC)COCC2)=O)C1
|
|
| MCULE-9435469481 |
0.60 |
O=C(C1C2N(CCOC2)CC1)NCCC1OCCC1
|
|
| MCULE-2046146255 |
0.60 |
N1(CCC2(CC1)CC(CCO2)OCC(=O)N1CCOCC1)C(C1CCOCC1)=O
|
|
| MCULE-6807955079 |
0.60 |
COC1(OC)C(NC([C@H]2[C@H]3O[C@H](CC3)C2)=O)COCC1
|
|
| MCULE-4743290449 |
0.60 |
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-6028934666 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC(C)C)[C@@H]1O)C(C)C
|
|
| MCULE-3284184637 |
0.60 |
C12(CCC(C(=O)O1)(C)C2(C)C)C(NCCCOC)=O
|
|
| MCULE-8185370221 |
0.60 |
OC(C1(CN(CC2OC3(CCCCC3)CC2)CC1)CF)=O
|
|
| MCULE-3817829701 |
0.60 |
CCOC1C2(CCN(C(C3CN(C4COCC4)C3)=O)CC2)C(O)C1
|
|
| MCULE-6674221371 |
0.60 |
CCCNC1CC2(COCC2)OC1
|
|
| MCULE-5923447938 |
0.60 |
CCCNC1CC2(C(C)COC2)OC1
|
|
