| MolPort-003-927-243 |
1 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-039-338-345 |
1 |
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 |
1 |
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 |
1 |
[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
|
|
| MCULE-4300429692 |
1 |
C1(=C/C)\C[C@@H]([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-1599397850 |
1 |
C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MolPort-046-153-830 |
0.99 |
C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)C1=C)[C@@H]23
|
|
| MCULE-7853598453 |
0.99 |
C1(=C)[C@H](C)[C@@H]([C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
|
|
| MCULE-1907822903 |
0.98 |
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
|
|
| MolPort-039-339-127 |
0.98 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23
|
|
| MCULE-4830898327 |
0.97 |
C1(=O)C(=CC)CC(=C)C(C)(O)C(=O)OCC2=CCN3CCC(C23)O1
|
|
| MCULE-9753454229 |
0.97 |
C1(=C/C)\C[C@@H]([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MCULE-9982898170 |
0.97 |
C1(=C/C)\CC([C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])=C
|
|
| MCULE-5897801481 |
0.97 |
CC=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(O)(CO)C(C)C1
|
|
| MCULE-3414587626 |
0.97 |
C1(=C/C)\C[C@H]([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
|
|
| MolPort-000-716-048 |
0.97 |
O.C\C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-002-167-821 |
0.97 |
C\C=C1/CC(=C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C23
|
|
| MolPort-046-692-258 |
0.97 |
C\C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-002-516-490 |
0.97 |
C\C=C1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-002-526-408 |
0.97 |
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 |
0.97 |
C\C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-004-955-368 |
0.97 |
C\C=C1\CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-009-758-385 |
0.97 |
O.C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-153-838 |
0.95 |
CC1C(C)C(O)C(=O)OCC2=CCN3CC[C@@H](OC(=O)C1C)[C@@H]23
|
|
| MCULE-8339457270 |
0.95 |
C1(C)C(C)C(C(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
|
|
| MCULE-7813149467 |
0.94 |
C1(=C/C)\CC([C@@](CO)(O)C(=O)OCC2=CCN3CC[C@@H](OC\1=O)[C@@]23[H])=C
|
|
| MolPort-044-754-048 |
0.94 |
C\C=C1\CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-153-839 |
0.93 |
C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MCULE-3857064447 |
0.93 |
[C@@H]1(C)[C@H](C)[C@](O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
|
|
| MolPort-002-507-203 |
0.91 |
CC(C)[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
|
|
| MolPort-000-719-723 |
0.91 |
CC(C)[C@H]1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)[C@H]23
|
|
| MolPort-046-153-833 |
0.91 |
C[C@H]1C(C)C(O)(CO)C(=O)O[C@@H]2CCN3CC=C(COC(=O)C1(C)O)[C@H]23
|
|
| MCULE-5725050795 |
0.91 |
C1(C)(O)C(C(C)C)C(=O)OC2CCN3CC=C(C32[H])COC(=O)C1(C)O
|
|
| MCULE-8617603456 |
0.91 |
[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 |
0.91 |
[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-7850891265 |
0.91 |
C1(O)(CO)C(C)[C@@H](C(O)(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H])C
|
|
| MCULE-9322352863 |
0.91 |
[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
|
|
| MolPort-044-754-047 |
0.91 |
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-001-742-605 |
0.90 |
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
|
|
| MolPort-046-765-266 |
0.90 |
C[C@@H]1C(=O)O[C@H]2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)[C@@H]23
|
|
| MolPort-000-157-648 |
0.90 |
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)C23
|
|
| MolPort-046-153-854 |
0.90 |
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-046-153-856 |
0.90 |
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-046-153-857 |
0.90 |
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-046-153-860 |
0.90 |
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
|
|
| MCULE-9022540105 |
0.90 |
[C@@]1(C)(O)C(=O)OCC2=CCN3CC[C@H]([C@]32[H])OC(=O)[C@H](C)[C@@]1(C)O
|
|
| MCULE-1675826727 |
0.90 |
C1(C)(O)C(=O)OCC2=CCN3CCC(C32)OC(=O)C(C)C1(C)O
|
|
| MCULE-8867616609 |
0.90 |
N12CC=C3COC(=O)[C@@](O)(C)[C@@](O)(C)[C@@H](C)C(=O)O[C@@]([H])([C@]13[H])CC2
|
|
| MCULE-8649403820 |
0.90 |
[C@@]12([H])[C@H](OC(=O)/C(=C/C)/C)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-9812195195 |
0.90 |
[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 |
0.90 |
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-6419923595 |
0.90 |
[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-3606301433 |
0.90 |
[C@@]12([H])[C@H](OC(/C(/C)=C\C)=O)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-2185301863 |
0.90 |
[C@@]12([H])[C@@H](OC(=O)/C(=C\C)/C)CCN1CC=C2COC([C@@](O)(C(O)(C)C)[C@@H](OC)C)=O
|
|
| MolPort-002-524-376 |
0.90 |
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 |
0.90 |
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-046-153-831 |
0.89 |
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-019-937-253 |
0.89 |
CC1C(=O)OCC2=CCN3CCC(OC(=O)C(C)(O)C1(C)O)C23
|
|
| MolPort-046-761-491 |
0.89 |
[2H]C([2H])([2H])[C@@]1(O)[C@H](C)C\C(=C\C)C(=O)O[C@@H]2CCN3(=O)CC=C(COC1=O)[C@H]23
|
|
| MCULE-8051804437 |
0.88 |
[C@@]12([H])[C@H](OC(=O)C)CCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
|
|
| MCULE-7629911471 |
0.88 |
[C@@]12([H])[C@H](OC(C)=O)CCN1CC=C2COC([C@@](O)(C(O)(C)C)[C@H](O)C)=O
|
|
| MCULE-9645745208 |
0.88 |
[C@@]12([H])[C@H](OC(=O)C)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-6434067942 |
0.88 |
C12(O[C@H]1C)C[C@H]([C@@](C)(O)C(=O)OCC1=CCN3[C@@]1([H])[C@H](OC2=O)CC3)C
|
|
| MolPort-046-153-847 |
0.88 |
CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12
|
|
| MolPort-046-153-849 |
0.88 |
CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12
|
|
| MolPort-046-153-841 |
0.88 |
C[C@@H](O)C(O)(C(=O)OCC1=CCN2CC[C@@H](OC(C)=O)[C@@H]12)C(C)(C)O
|
|
| MolPort-044-754-046 |
0.88 |
C[C@@H]1OC11C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-153-832 |
0.87 |
C[C@@H]1O[C@@]11C[C@]2(CO2)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-153-836 |
0.87 |
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)OC(C)=O)[C@H]23
|
|
| MCULE-1866986142 |
0.87 |
[C@@]12(O[C@H]1C)C[C@@]1(OC1)[C@](O)(C)C(=O)OCC1=CCN3CC[C@@H](OC2=O)[C@@]13[H]
|
|
| MolPort-004-964-821 |
0.86 |
C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3(=O)CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-039-052-510 |
0.86 |
C\C=C1\CC(=C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-039-338-350 |
0.86 |
C\C=C1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23
|
|
| MolPort-046-153-855 |
0.86 |
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
|
|
| MCULE-5132490180 |
0.86 |
[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-1427730692 |
0.86 |
[C@@H]1(C)[C@@](C)(O)[C@H](C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
|
|
| MolPort-046-153-837 |
0.86 |
C[C@@H]1C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@H](C)[C@@]1(C)O)[C@@H]23
|
|
| MolPort-046-153-844 |
0.84 |
C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12
|
|
| MCULE-8509255158 |
0.84 |
[C@@]12([H])[C@H](OC(=O)/C(=C\C)/C)CCN1CC=C2CO
|
|
| MCULE-7094225424 |
0.84 |
C12(O)C(C)OCC3(OC3(C)C(=O)OCC3=CCN4CC[C@@H](OC1=O)[C@@]34[H])C2
|
|
| MolPort-046-153-840 |
0.84 |
CC1OCC23CC1(O)C(=O)O[C@@H]1CCN4CC=C(COC(=O)C2(C)O3)[C@H]14
|
|
| MolPort-046-761-504 |
0.81 |
C[C@H]1C(=O)OC2CCN3(=O)CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23
|
|
| MCULE-3899060736 |
0.80 |
C1(=C/C)\C[C@@H]([C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC\1=O)C2=O)C
|
|
| MCULE-5821370064 |
0.80 |
C1(=C/C)/C[C@@H]([C@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC/1=O)C2=O)C
|
|
| MolPort-046-153-826 |
0.80 |
C\C=C1/C[C@H](C)[C@](C)(O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
|
|
| MolPort-046-153-829 |
0.80 |
C\C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
|
|
| MolPort-002-526-806 |
0.79 |
CC(C)[C@@](O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
|
|
| MolPort-046-153-848 |
0.79 |
CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
|
|
| MolPort-046-153-859 |
0.79 |
CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@H](O)[C@H]12
|
|
| MolPort-046-153-850 |
0.79 |
CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
|
|
| MolPort-046-153-858 |
0.79 |
CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
|
|
| MCULE-1499800054 |
0.79 |
[N+]12(C)CCC(O)C1C(=CC2)COC(=O)C(O)(C(C)C)C(C)O
|
|
| MCULE-1014292696 |
0.79 |
[C@@]12([H])[C@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-1834338412 |
0.79 |
[C@@]12([H])[C@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
|
|
| MCULE-5065848832 |
0.79 |
[C@]12([H])[C@@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-4986817328 |
0.79 |
[C@@]12([H])[C@@H](O)CCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
|
|
| MCULE-1481800775 |
0.79 |
[C@@]12([H])[C@H](O)CCN1CC=C2COC([C@@](O)(C(C)C)[C@@H](O)C)=O
|
|
| MCULE-9372385729 |
0.79 |
[C@@]12([H])[C@@H](O)CCN1CC=C2COC([C@@](O)(C(C)C)[C@H](OC)C)=O
|
|
| MCULE-9827030814 |
0.79 |
C1(O)C2C(COC(=O)C(O)(C(C)C)C(OC)C)=CC[N+]2(C)CC1
|
|
| MCULE-8318618542 |
0.79 |
C1(O)CCN2C1([H])C(COC(C(C(OC)C)(C(C)C)O)=O)=CC2
|
|
| MCULE-1156496490 |
0.79 |
[C@@](O)(C(C)C)([C@@H](C)OC)C(=O)OCC1=CCN2CC[C@H](O)[C@]21[H]
|
|
| MCULE-1990314969 |
0.79 |
[N+]12(C)CCC(O)C1C(=CC2)COC(=O)C(O)(C(C)C)C(C)O.[I-]
|
|
| MCULE-6984575106 |
0.79 |
C(O)(C(C)C)(C(C)OC)C(=O)OCC1=CCN2CCC(O)[C@]21[H]
|
|
| MCULE-8261441210 |
0.79 |
[C@@]12([H])[C@@H](O)CCN1CC=C2COC(=O)[C@](O)(C(C)C)[C@@H](C)OC
|
|
| MolPort-046-598-110 |
0.79 |
COC(C)C(O)(C(C)C)C(=O)OCC1=CC[N+]2(C)CC[C@@H](O)[C@@H]12
|
|
| MolPort-009-758-323 |
0.79 |
[I-].CC(C)[C@](O)([C@@H](C)O)C(=O)OCC1=CC[N+]2(C)CC[C@H](O)[C@@H]12
|
|
| MolPort-046-764-481 |
0.79 |
Cl.CC(C)C(O)([C@H](C)O)C(=O)OCC1=CCN2CC[C@@H](O)[C@@H]12
|
|
| MolPort-000-759-355 |
0.79 |
[I-].CC(C)C(O)(C(C)O)C(=O)OCC1=CC[N+]2(C)CCC(O)C12
|
|
| MolPort-000-698-552 |
0.79 |
COC(C)C(O)(C(C)C)C(=O)OCC1=CCN2CCC(O)[C@@H]12
|
|
| MolPort-046-153-853 |
0.79 |
CO[C@H](C)C(O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
|
|
| MolPort-002-525-685 |
0.79 |
CO[C@H](C)[C@@](O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@@H]12
|
|
| MCULE-3339988312 |
0.78 |
[I-].C1(O)C2C(COC(=O)C(O)(C(C)C)C(OC)C)=CC[N+]2(C)CC1
|
|
| MolPort-046-067-807 |
0.78 |
[I-].COC(C)C(O)(C(C)C)C(=O)OCC1=CC[N+]2(C)CC[C@@H](O)[C@@H]12
|
|
| MolPort-046-153-828 |
0.77 |
C[C@H]1C\C(=C/CO)C(=O)O[C@@H]2CCN(C)C\C=C(\COC(=O)[C@]1(C)O)C2=O
|
|
| MolPort-007-549-187 |
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
|
|
| MolPort-001-970-710 |
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-039-339-124 |
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-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
|
|
| MCULE-5436375868 |
0.77 |
C1(=C/CO)/C[C@@H]([C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC/1=O)C2=O)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-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-8392481784 |
0.77 |
C12(C3([H])COC(=O)C(C)(O)C([H])(C)CC(=CC)C(=O)OC1([H])CCN2CC3)[H]
|
|
| MCULE-5871527023 |
0.77 |
C1(=C/COC(=O)C)/C[C@@H]([C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC/1=O)C2=O)C
|
|
| MolPort-046-153-827 |
0.77 |
C[C@H]1C\C(=C/COC(C)=O)C(=O)O[C@@H]2CCN(C)C\C=C(\COC(=O)[C@]1(C)O)C2=O
|
|
| MolPort-009-653-454 |
0.75 |
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 |
0.75 |
OC(C(O)C(O)=O)C(O)=O.C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
|
|
| MolPort-009-758-408 |
0.75 |
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-039-339-125 |
0.75 |
C[C@H]1\C=C(C=C)/C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@@]1(C)OC(C)=O)[C@]23[O-]
|
|
| MCULE-7838408162 |
0.75 |
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 |
0.75 |
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-2217327489 |
0.75 |
C1(C=C)=C[C@@H]([C@@](OC(=O)C)(C)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23[O-])C
|
|
| MCULE-2428319267 |
0.75 |
C1(CC)[C@H](O)[C@@H]([C@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O)C
|
|
| MolPort-046-153-825 |
0.75 |
CCC1[C@H](O)[C@H](C)[C@](C)(O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
|
|
| MolPort-044-831-087 |
0.74 |
CC(C)C(C)(O)C(=O)OCC1=CC[N+]2([O-])CCC(O)C12
|
|
| MolPort-039-338-347 |
0.74 |
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
|
|
| MCULE-4663213110 |
0.74 |
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-1171986869 |
0.74 |
[C@]12(C[C@@H](C)[C@@](C)(O)C(=O)OCC3=CCN(C)CC[C@@H](OC1=O)C3=O)[C@](O2)([H])C
|
|
| MCULE-3399706571 |
0.74 |
[C@]12(C[C@@H](C)[C@@](C)(O)C(=O)OCC3=CCN(C)CC[C@@H](OC1=O)C3=O)[C@](O2)([H])C
|
|
| MolPort-007-980-939 |
0.74 |
CC1O[C@@]11C[C@@H](C)C(C)(O)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O
|
|
| MolPort-002-527-385 |
0.74 |
C[C@@H]1O[C@@]11C[C@@H](C)[C@@](C)(O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
|
|
| MolPort-046-764-480 |
0.72 |
[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])C(O)([C@H](C)O)C(=O)OCC1=CCN2(=O)CC[C@@H](O)[C@@H]12
|
|
| MolPort-007-549-185 |
0.72 |
CC(O)[C@@]1(O)C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OC\C2=C\CN(C)CCC(OC1=O)C2=O
|
|
| MolPort-002-527-017 |
0.72 |
C[C@H](O)[C@@]1(O)C[C@H](C)[C@](C)(OC(C)=O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
|
|
| MolPort-002-526-132 |
0.72 |
C[C@@H](O)[C@@]1(O)C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OC\C2=C\CN(C)CC[C@@H](OC1=O)C2=O
|
|
| MolPort-046-153-865 |
0.72 |
CC(C)C(O)([C@@H](C)O)C(=O)OCC1=CCN2CCC[C@@H]12
|
|
| MCULE-6178030313 |
0.72 |
C1(O)(C(C)O)CC([H])(C)C(C)(OC(C)=O)C(=O)OCC2=CCN(C)CCC(OC1=O)C2=O
|
|
| MCULE-9293625898 |
0.72 |
[C@@]1(O)([C@@H](C)O)C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O
|
|
| MCULE-2851005991 |
0.72 |
[C@@]1(O)([C@H](C)O)C[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O
|
|
| MCULE-9080971826 |
0.72 |
[C@@]12([H])CCCN1CC=C2COC([C@](O)(C(C)C)[C@H](O)C)=O
|
|
| MolPort-044-754-045 |
0.72 |
C[C@@H]1C\C(C)=C/C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@]1(C)O)[C@H]23
|
|
| MolPort-009-757-738 |
0.70 |
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-046-153-843 |
0.69 |
C\C=C(\C)C(=O)OCC1=CCN2(=O)CC[C@@H](O)[C@@H]12
|
|
| MCULE-8762664072 |
0.69 |
[C@@]12([H])[C@H](O)CCN1(=O)CC=C2COC(/C(=C\C)/C)=O
|
|
| MolPort-044-872-258 |
0.67 |
CCOC1CC(NC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)C11CCCO1
|
|
| MolPort-006-391-504 |
0.67 |
CC1OC(OC2C(COC(C)=O)OC(OC3C(COC(C)=O)OC(OC(C)=O)C(OC(C)=O)C3OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC1C=C(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
|
|
| MCULE-5742217999 |
0.67 |
CCOC1C2(OCCC2)C(NC(C2C[C@@H](O)[C@H](O)[C@H](O)C=2)=O)C1
|
|
| MCULE-4354077810 |
0.65 |
[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 |
0.65 |
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-044-872-232 |
0.64 |
COC1CCC2OCCN(C2C1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
|
|
| MCULE-1468457293 |
0.64 |
COC1CC2C(OCCN2C(C2C[C@@H](O)[C@H](O)[C@H](O)C=2)=O)CC1
|
|
| MCULE-1685654852 |
0.64 |
CC1N(C(C2C[C@@H](O)[C@H](O)[C@H](O)C=2)=O)CCCOC1
|
|
| MolPort-044-872-228 |
0.64 |
CC1COCCCN1C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
|
|
| MolPort-044-726-716 |
0.64 |
CO[C@H]1CCN2[C@H]3C[C@@]4(OC(=O)C=C4C=C3)[C@@H]2C1
|
|
| MolPort-002-529-667 |
0.63 |
CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)C4[C@H]3OC(=O)[C@@H](CN4CCOCC4)C3CC[C@@]5(C)O)C12
|
|
| MolPort-044-872-344 |
0.63 |
O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)N1CCOCC11CCOC1
|
|
| MolPort-044-872-078 |
0.63 |
CC1CN(CCCO1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
|
|
| MCULE-3388784596 |
0.63 |
[C@]12(C[C@@]34C([C@@H]5C(CC[C@@]3(C)O)[C@@H](C(=O)O5)CN3CCOCC3)[C@@]1(C)C=C4)C(=O)O[C@@H]1C3C(C)=CCC3[C@](C)(O)C[C@H](OC(C)=O)C21
|
|
| MCULE-5948872279 |
0.63 |
O[C@H]1[C@H](O)[C@H](O)C=C(C(N2C3(COCC3)COCC2)=O)C1
|
|
| MCULE-3222014547 |
0.63 |
CC1OCCCN(C(C2C[C@@H](O)[C@H](O)[C@H](O)C=2)=O)C1
|
|
| MCULE-6443026204 |
0.63 |
Cl.[C@]12(C[C@@]34C([C@@H]5C(CC[C@@]3(C)O)[C@@H](C(=O)O5)CN3CCOCC3)[C@@]1(C)C=C4)C(=O)O[C@@H]1C3C(C)=CCC3[C@](C)(O)C[C@H](OC(C)=O)C21
|
|
| MolPort-002-511-265 |
0.63 |
CC1=CC[C@]23O[C@@]2(C)CC[C@H]2C(CN4CCOCC4)C(=O)O[C@@H]2[C@@H]13
|
|
| MolPort-000-831-641 |
0.63 |
Cl.CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)C4[C@H]3OC(=O)[C@@H](CN4CCOCC4)C3CC[C@@]5(C)O)C12
|
|
| MolPort-046-426-648 |
0.62 |
O=C1OC23C[C@@H](C=CC2=C1)N1CCCC[C@H]31
|
|
| MolPort-002-507-176 |
0.62 |
O=C1O[C@@]23C[C@@H](C=CC2=C1)N1CCCC[C@H]31
|
|
| MolPort-008-434-555 |
0.62 |
C[C@]12CCCCN1[C@H]1C[C@@]22OC(=O)C=C2C=C1
|
|
| MolPort-016-634-279 |
0.62 |
O=C1O[C@@]23C[C@H](C=CC2=C1)N1CCCC[C@H]31
|
|
| MolPort-007-563-123 |
0.62 |
O=C1O[C@]23C[C@H](C=CC2=C1)N1CCCC[C@H]31
|
|
| MolPort-002-520-601 |
0.62 |
CC1CN(CC2[C@@H]3[C@@H](CC4=CCCC(C)[C@@]4(C)C3O)OC2=O)CC(C)O1
|
|
| MCULE-4190866478 |
0.62 |
[C@]123OC(C=C1C=C[C@](N1CCCC[C@@]12[H])([H])C3)=O
|
|
| MCULE-1313869504 |
0.62 |
C123OC(C=C1C=CC(N1CCCCC12)C3)=O
|
|
| MCULE-8254174195 |
0.62 |
O=C1C=C2[C@@]3([C@@H]4N([C@@H](C=C2)C3)CCCC4)O1
|
|
| MCULE-1169235094 |
0.62 |
[C@]123OC(C=C1C=C[C@](N1CCCC[C@]21C)([H])C3)=O
|
|
| MCULE-9026177331 |
0.62 |
[C@]123OC(C=C1C=C[C@@H](N1CCCC[C@@]12[H])C3)=O
|
|
| MCULE-8370171572 |
0.62 |
N12CCCC[C@]1([H])[C@@]13C[C@@H]2C=CC1=CC(=O)O3
|
|
| MCULE-2843626491 |
0.62 |
C12C(=O)N(CC31CC(O3)CC=2C(O)=O)CCCN1CCOCC1
|
|
| MCULE-2348050622 |
0.62 |
CC(OCC1OCCN(C(C2C[C@@H](O)[C@H](O)[C@H](O)C=2)=O)C1)C
|
|
| MolPort-015-137-292 |
0.62 |
OC(=O)C1=C2C(=O)N(CCCN3CCOCC3)CC22CC(C1)O2
|
|
| MolPort-044-872-270 |
0.62 |
CC(C)OCC1CN(CCO1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
|
|
| MolPort-019-931-908 |
0.61 |
C\C=C\C=C\C=C\C(=O)O[C@@H]1[C@@H](O)C2=C(C(=O)N(C2)C(CCC(O)=O)C(O)=O)[C@@]2(C)CCCC(C)(C)[C@H]12
|
|
| MolPort-003-940-972 |
0.61 |
Br.CO[C@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@]23C1
|
|
| MolPort-039-138-692 |
0.61 |
[H].O.CC1OC(OC2C(CO)OC(OC(C(O)CO)C(O)C(O)C=O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O
|
|
| MolPort-044-560-719 |
0.61 |
C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
|
|
| MolPort-021-804-663 |
0.61 |
CO[C@@H]1[C@@H](OC(=O)\C=C\C=C\C=C\C)[C@H]2C(C)(C)CCC[C@]2(C)C2=C1CN(C(CCC(O)=O)C(O)=O)C2=O
|
|
| MolPort-009-653-427 |
0.61 |
O[N+]([O-])=O.O=C1O[C@@]23C[C@@H](C=CC2=C1)N1CCCC[C@H]31
|
|
| MolPort-046-153-834 |
0.61 |
C\C=C1\C[C@@H](C)[C@H](O)C(=O)OCC2=C3[C@@H](CCN3CC2)OC1=O
|
|
| MolPort-000-743-256 |
0.61 |
[O-][N+]([O-])=O.O=C1OC23CC(C=CC2=C1)[NH+]1CCCCC31
|
|
| MolPort-044-180-193 |
0.61 |
O[N+]([O-])=O.O=C1OC23CC(C=CC2=C1)N1CCCCC31
|
|
| MCULE-7992709915 |
0.61 |
O[C@@H]1[C@@H](O)[C@@H](O[C@]([C@H](O)CO)([C@H](O)[C@@H](O)C=O)[H])O[C@H](CO)[C@]1(O[C@H]1O[C@H](C)[C@@H](N[C@@]2([C@@H]([C@@H](O)[C@H](O)C(CO)=C2)O)[H])[C@H](O)[C@H]1O)[H]
|
|
| MCULE-6356300532 |
0.61 |
O[C@@H]1[C@@H](O)[C@@H](O[C@]([C@H](O)CO)([C@H](O)[C@@H](O)C=O)[H])O[C@H](CO)[C@]1(O[C@H]1O[C@H](C)[C@@H](N[C@@]2([C@@H]([C@@H](O)[C@H](O)C(CO)=C2)O)[H])[C@H](O)[C@H]1O)[H]
|
|
| MCULE-2954418977 |
0.61 |
[C@@]12(OC(=O)C(C)=C1OC)[C@@]13N(CCCCC1=C(C)C2=O)[C@](CC3)([H])[C@]1(OC([C@H](C1)C)=O)[H]
|
|
| MCULE-7154644951 |
0.61 |
C1C[C@]2(C)C3C(=O)N(C(CCC(O)=O)C(=O)O)CC=3[C@H](OC)[C@@H](OC(/C=C/C=C/C=C/C)=O)[C@@]2([H])C(C)(C)C1
|
|
| MCULE-6308960115 |
0.61 |
C1(=C/C)\C[C@H]([C@H](O)C(=O)OCC2CCN3CC[C@@H](OC\1=O)C=23)C
|
|
| MCULE-3155800355 |
0.61 |
C123OC(C=C1C=CC([NH+]1CCCCC12)C3)=O.N(=O)(=O)[O-]
|
|
| MCULE-1702737440 |
0.61 |
C1(C(C)=CC2(C3(OC(=O)C=CC(O)C(C(C)(O)C=C2)O)C1C(CC(C)C)NC3=O)O)C
|
|
| MCULE-3076613195 |
0.61 |
O[C@H]1[C@H](O)[C@H](O)C=C(C(NCC2OC3(CCCCC3)CC2)=O)C1
|
|
| MolPort-021-804-440 |
0.61 |
CC(C)CC1NC(=O)C23OC(=O)\C=C\C(O)C(O)C(C)(O)\C=C\C2(O)C=C(C)C(C)C13
|
|
| MolPort-002-516-445 |
0.61 |
CC1CN(CC2[C@@H]3CC[C@@]4(C)C=CC(=O)C(C)=C4[C@H]3OC2=O)CC(C)O1
|
|
| MolPort-044-872-297 |
0.61 |
O[C@@H]1CC(=C[C@@H](O)[C@H]1O)C(=O)NCC1CCC2(CCCCC2)O1
|
|
| MolPort-002-531-960 |
0.60 |
CC1CN(CC2[C@H]3C=C4[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
|
|
| MolPort-006-668-163 |
0.60 |
CC(C)CC1NC(=O)C23OC(=O)\C=C\C(O)C(O)CC\C(C)=C\C2C=C(C)C(C)C13
|
|
| MCULE-7924316569 |
0.60 |
CC1CCCC=1C(NC1(COCC1)CC(=O)O)=O
|
|
| MCULE-6390931762 |
0.60 |
C1CC2(C)C3C(=O)N(C(CCC(O)=O)C(=O)O)C(=O)C=3C(O)C(OC(/C=C/C=C/C=C/C)=O)C2C(C)(C)C1
|
|
| MCULE-4486647355 |
0.60 |
C1(C(C)=CC2C=C(C)CCC(O)C(O)C=CC(OC32C1C(CC(C)C)NC3=O)=O)C
|
|
| MCULE-7338172086 |
0.60 |
O[C@H]1[C@H](O)[C@H](O)C=C(C(N2CC3(CCCCC3)OCC2)=O)C1
|
|
| MCULE-4377616205 |
0.60 |
O[C@H]1[C@H](O)[C@H](O)C=C(C(N2CC(C3CCCCC3)OCC2)=O)C1
|
|
| MCULE-7287731652 |
0.60 |
C123OC(=O)C=CC(CCCC(C)=CC1C=C(C(C)C2C(NC3=O)CC(C)C)C)O
|
|
| MCULE-7002432557 |
0.60 |
O[C@H]1[C@H](O)[C@H](O)C=C(C(N2CC(C3CC3)OCC2)=O)C1
|
|
