| MolPort-046-158-440 |
0.80 |
CC(C)C1=CC(=O)C2=C(CC[C@H]3C(C)=C(CC[C@]23C)C(O)=O)C1=O
|
|
| MolPort-046-766-237 |
0.79 |
C[C@H]1C[C@@H]2C3=C([C@@H](O)C[C@]2(C)C1(O)C(=O)CO)[C@@]1(C)C=CC(=O)C=C1CC3
|
|
| MCULE-4026689667 |
0.78 |
C1C(C)(C)C(O)(/C=C/C(O)C)C(C)=CC1=O
|
|
| MCULE-4184427131 |
0.78 |
C1C(C)(C)C(O)(/C=C/C(=O)C)C(C)=CC1=O
|
|
| MolPort-001-740-423 |
0.78 |
CC(O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-035-706-271 |
0.78 |
C[C@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-039-052-673 |
0.78 |
C[C@@H](O)\C=C\[C@H]1C(CO)=CC(=O)CC1(C)C
|
|
| MolPort-003-804-175 |
0.78 |
C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-004-964-596 |
0.78 |
CC(=O)\C=C\C1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-039-338-128 |
0.77 |
C[C@H](CC(O)\C=C(/C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
| MCULE-6630966108 |
0.76 |
O[C@H]1C[C@H]2C(C)(C)C(CC[C@]2(C)C2C(C[C@]3(C)[C@@H]([C@H](C)CC(C[C@H](C(=O)O)C)=O)CC([C@@]3(C)C=21)=O)=O)=O
|
|
| MCULE-6664715607 |
0.76 |
CC(C1C2(C)CC(C3C4(C)CCC(C(C)(C)C4CC(O)C=3C2(C)C(=O)C1)=O)=O)CC(CC(C(O)=O)C)=O
|
|
| MolPort-039-338-190 |
0.76 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-046-594-358 |
0.76 |
CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
|
|
| MolPort-006-823-887 |
0.76 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
|
|
| MolPort-039-338-981 |
0.76 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
|
|
| MCULE-1713115618 |
0.75 |
C1=CC2C3C=CC3C1C=C2C(=O)O
|
|
| MCULE-6709332090 |
0.75 |
C1(CC2(C=1)CC(=C2)C(O)=O)C(O)=O
|
|
| MolPort-039-338-130 |
0.75 |
CC(CC(=O)C[C@](C)(O)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MolPort-039-052-452 |
0.75 |
C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)C3=CC[C@]12C
|
|
| MolPort-044-755-231 |
0.75 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34O)[C@@H]1CCC2=O
|
|
| MolPort-039-339-169 |
0.74 |
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
|
|
| MolPort-039-338-120 |
0.74 |
C[C@H](CC\C=C(/C)CO)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(O)C(C)(C)C1CC3=O
|
|
| MCULE-4587868817 |
0.74 |
CC1(C(=O)CC[C@@]2(C)C1CC(C1[C@@]3(C)[C@]([C@@H]([C@@H](C[C@@H](/C=C(/C(=O)O)\C)O)C)CC3=O)(C)CC(=O)C=12)=O)C
|
|
| MCULE-8472407044 |
0.74 |
CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)CC(=O)C=12)O)C
|
|
| MCULE-3363997729 |
0.74 |
C1=CC(=O)C(C([H])=C(C(O)CCCCC)[H])C1CC([H])=C(CCCC(=O)O)[H]
|
|
| MolPort-046-702-685 |
0.74 |
CCCCCC(O)\C=C\[C@@H]1C(C\C=C\CCCC(O)=O)C=CC1=O
|
|
| MolPort-003-959-398 |
0.74 |
CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
|
|
| MolPort-039-338-695 |
0.74 |
CC(O)\C=C\C1C(C)=CC(=O)CC1(C)C
|
|
| MolPort-039-339-050 |
0.73 |
CC(CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MCULE-6190050690 |
0.73 |
C1(C=O)C(O)(C=O)C[C@@]2([C@@](CCCC2)(C)C=1)[H]
|
|
| MCULE-8305243178 |
0.73 |
C12C/C(=C(/C)\C)/C(=O)C=C(C)C1(O)CCC2(C)O
|
|
| MCULE-6559055372 |
0.73 |
[C@]12(O)CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C=C2C
|
|
| MCULE-6242790082 |
0.73 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1O
|
|
| MCULE-7552770733 |
0.73 |
C1CC2(C)C3C(=O)CC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MolPort-046-153-787 |
0.73 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-039-338-126 |
0.73 |
C[C@H](C[C@H](O)\C=C(/C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-039-338-605 |
0.73 |
CC(C)=C1C[C@@H]2[C@@](C)(O)CC[C@]2(O)C(C)=CC1=O
|
|
| MolPort-021-804-739 |
0.73 |
CC(C)=C1CC2C(C)(O)CCC2(O)C(C)=CC1=O
|
|
| MolPort-046-153-168 |
0.73 |
CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3=O
|
|
| MolPort-046-153-150 |
0.73 |
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
|
|
| MolPort-039-138-993 |
0.73 |
CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-003-939-181 |
0.73 |
CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-044-183-171 |
0.73 |
CCCCC(C)(C)[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-039-138-874 |
0.73 |
CCCCC[C@@](C)(O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-002-911-143 |
0.72 |
C[C@]1(O)CCC2C3CCC4=CC(=O)C(=C)CC4(C)C3CCC12C
|
|
| MolPort-039-338-123 |
0.72 |
CC(CC(=O)\C=C(\C)C1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MCULE-2810354958 |
0.72 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
|
|
| MCULE-7712069033 |
0.72 |
C12CCC3=CC(C(=C)CC3(C)C1CCC1(C)C(CCC21)O)=O
|
|
| MCULE-7184104452 |
0.72 |
C12CCC(C=C1)C(C(O)=O)=C2C(O)=O
|
|
| MCULE-3785825090 |
0.72 |
C1(C=O)[C@]2([H])C(=O)[C@@H](O)[C@@H](C)[C@@]2([H])C[C@]2(C)CCC(C(C)CO)=C2CC=1
|
|
| MCULE-4351701102 |
0.72 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CC[C@@]21O)C(C)=O
|
|
| MCULE-6355846723 |
0.72 |
C1CC2=CC(=O)/C(/C[C@]2(C)[C@H]([C@@H]1O)C)=C(\C)/C
|
|
| MCULE-3773650223 |
0.72 |
C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])[C@@](C)(CO)C1=O
|
|
| MCULE-1814135588 |
0.72 |
C1[C@@]2([H])[C@]3(C)C(=O)C[C@]4(C)[C@@]([H])([C@@](C)(O)C(C=CC(C)(C)O)=O)[C@H](O)C[C@@]4(C)[C@]3([H])CC=C2C(C)(C)C(=O)C=1O
|
|
| MCULE-8177568528 |
0.72 |
C1(=O)C(C2[C@@]([H])(C=C1O)[C@@]1(C)[C@]([H])([C@]3([C@@](CC1=O)(C)[C@@H]([C@](O)(C)C(=O)/C=C/C(O)(C)C)[C@H](O)C3)C)CC=2)(C)C
|
|
| MolPort-035-706-265 |
0.72 |
CC1=CC(=O)CC(C)(C)[C@@]1(O)\C=C\[C@H](O)CO
|
|
| MolPort-002-525-832 |
0.72 |
CC(=O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-005-943-996 |
0.72 |
C[C@H]1[C@H](O)CCC2=CC(=O)C(C[C@]12C)=C(C)C
|
|
| MolPort-035-705-838 |
0.72 |
CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@@](C)(CO)C(=O)CC[C@]23C)C1=O
|
|
| MolPort-000-733-209 |
0.72 |
CC(=O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
|
|
| MolPort-023-276-142 |
0.72 |
CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-046-196-430 |
0.71 |
OC(=O)C1=CC2CCC1C=C2
|
|
| MolPort-019-936-771 |
0.71 |
C\C(=C/CCC(C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O)C(O)=O
|
|
| MolPort-046-765-410 |
0.71 |
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@H]1CCC2=O
|
|
| MolPort-002-512-788 |
0.71 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34O)[C@@H]1CCC2=O
|
|
| MolPort-008-155-609 |
0.71 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34O)C1CCC2=O
|
|
| MolPort-019-936-866 |
0.71 |
C\C(=C/CCC(CO)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3)C(O)=O
|
|
| MCULE-7919759875 |
0.71 |
CC1([C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)CC(=O)C=12)O)C
|
|
| MCULE-3392411245 |
0.71 |
[C@]12(O)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
|
|
| MCULE-1397397840 |
0.71 |
O=C1CCC2(O)C3CCC4(C)CC(O)CC4C3CCC2=C1
|
|
| MCULE-8494008475 |
0.71 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C(O)=O)CCC4(C)C=3CCC2C(C)(C)C1=O
|
|
| MCULE-1627239407 |
0.71 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C[C@@H](O)C2=CC1=O
|
|
| MCULE-9251734852 |
0.71 |
C1CC2(C)C3C(=O)CC4(C)C5C(C)CC(CC(C)C(=O)O)=C5C(=O)C4(C)C=3C(O)CC2C(C)(C)C1=O
|
|
| MolPort-039-338-127 |
0.71 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
| MolPort-009-018-222 |
0.71 |
CCCCCC(O)\C=C\[C@H]1C=CC(=O)C1CCCCCCC(O)=O
|
|
| MolPort-009-018-240 |
0.71 |
CCCCC(C)(C)C(O)\C=C\[C@H]1C=CC(=O)C1CCCCCCC(O)=O
|
|
| MolPort-009-018-232 |
0.71 |
CCCCCC(O)\C=C\[C@H]1C=CC(=O)[C@H]1CCCCCCC(O)=O
|
|
| MolPort-039-139-033 |
0.71 |
CCCCC[C@@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-042-624-491 |
0.71 |
C[C@]12CC(=O)C3=C([C@@H](O)CC4C(C)(C)C(=O)CC[C@]34C)[C@]1(C)C(=O)C[C@@H]2C(=C)CCC(O)=O
|
|
| MolPort-046-196-836 |
0.71 |
C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-039-052-422 |
0.71 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-003-848-083 |
0.71 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-044-723-310 |
0.71 |
CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
|
|
| MolPort-046-689-989 |
0.71 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-046-153-144 |
0.71 |
CC(CC1=C2C(C(C)C1)C1(C)CC(=O)C3=C(C(O)CC4C(C)(C)C(=O)CCC34C)C1(C)C2=O)C(O)=O
|
|
| MolPort-046-647-251 |
0.71 |
CC(C)(C)C1=CC(O)(CCC(O)=O)C=C(C1=O)C(C)(C)C
|
|
| MolPort-006-112-811 |
0.71 |
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-035-706-109 |
0.70 |
CC(C)[C@H]1CCC(C=O)=C[C@@H]1O
|
|
| MolPort-027-853-563 |
0.70 |
CC(C)[C@H]1CCC(CO)=C[C@@H]1\C=C(/CO)C(O)=O
|
|
| MolPort-035-706-434 |
0.70 |
C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@@H](C(C)=C)[C@](C)(CCC(O)=O)[C@H]3CC[C@@]12C
|
|
| MCULE-5791637196 |
0.70 |
C1CCC23CC12C(O)C=CC3=O
|
|
| MCULE-3750924928 |
0.70 |
C1C(C=O)=C[C@H](O)[C@@H](C(C)C)C1
|
|
| MCULE-1927684059 |
0.70 |
C1C(=C[C@H](/C=C(\CO)/C(O)=O)[C@@H](C(C)C)C1)CO
|
|
| MCULE-2846082692 |
0.70 |
C(C(C1(C)C2C(C2C(=O)C=C1C(O)=O)(C)C)C)C(O)=O
|
|
| MCULE-1505073195 |
0.70 |
C(C(=O)O)C[C@]1(C)[C@@]2([H])CC[C@]3([C@]([H])([C@H](CC/C=C(\C(O)=O)/C)C)CC[C@]3(C)C2=CC[C@@]1([H])C(C)=C)C
|
|
| MCULE-3401105479 |
0.70 |
C1CC2(C(=O)O)C3(O)CCC(C)(C=C)C=C3C(=O)CC2C(C)(C)C1
|
|
| MolPort-046-790-365 |
0.70 |
C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MolPort-001-742-758 |
0.70 |
CC1(C)CCCC2(C1CC(=O)C1=CC(C)(CCC21O)C=C)C(O)=O
|
|
| MolPort-002-800-179 |
0.69 |
CC1(C)CC(=O)C2=C(C1)CC1(C)CC(C)(C)CC2(O)C1
|
|
| MolPort-021-804-466 |
0.69 |
C\C(CO)=C1\C\C=C(C)\CC\C=C(C)\CC1=O
|
|
| MolPort-006-118-969 |
0.69 |
CC(=C)C1CCC(=CC1)C(O)=O
|
|
| MolPort-035-706-267 |
0.69 |
C[C@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-035-706-266 |
0.69 |
C[C@@H](O)CC[C@@]1(O)C(C)=CC(=O)CC1(C)C
|
|
| MolPort-019-937-542 |
0.69 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C(O)=O)CC(O)=O
|
|
| MolPort-019-937-276 |
0.69 |
CC1(C)C[C@H]2[C@H]1CC(=O)\C(CO)=C/CCC2=C
|
|
| MolPort-035-706-169 |
0.69 |
CC(C)CC(=O)\C=C(/C)[C@@H]1CCC(=CC1)C(O)=O
|
|
| MolPort-003-933-119 |
0.69 |
C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-338-665 |
0.69 |
CC(CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-021-804-511 |
0.69 |
CC(CC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C)C(C)(O)CO
|
|
| MolPort-005-933-631 |
0.69 |
C[C@H]([C@H](O)CCC(C)(C)O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-068-912 |
0.69 |
CC(C)(O)CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-067-789 |
0.69 |
CC(C)(O)CC[C@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)C4C[C@H](O)C(O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-054-510 |
0.69 |
CC(C)(O)CC[C@@H](O)C(C)(O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
|
|
| MolPort-044-561-113 |
0.69 |
C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O
|
|
| MolPort-020-005-976 |
0.69 |
C[C@@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-008-322-993 |
0.69 |
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
|
|
| MolPort-006-822-587 |
0.69 |
CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-020-005-977 |
0.69 |
C[C@H](CO)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-027-853-691 |
0.69 |
CC(C)[C@@H](C)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-741-221 |
0.69 |
C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C)C(C)(C)O
|
|
| MolPort-000-728-523 |
0.69 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)CC4(C)[C@H]3CCC12C
|
|
| MolPort-046-693-458 |
0.69 |
CC(C)CC[C@@H](O)C(C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-508-947 |
0.69 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-741-219 |
0.69 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-507-287 |
0.69 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-042-652-807 |
0.69 |
C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MCULE-7932579394 |
0.69 |
O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2=C1)C(CO)=O
|
|
| MCULE-2170216646 |
0.69 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(C)=O
|
|
| MCULE-2460476091 |
0.69 |
C1C[C@@]([H])(/C(/C)=C/C(=O)CC(C)C)CC=C1C(=O)O
|
|
| MCULE-7022735372 |
0.69 |
C1(=O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
|
|
| MCULE-4963816026 |
0.69 |
O=C1CCC2(C)C3CCC4(C)CCC(O)C4C3CC(O)C2=C1
|
|
| MCULE-9448141357 |
0.69 |
C12C(=O)CC(CC=1CC1(CC2(O)CC(C1)(C)C)C)(C)C
|
|
| MCULE-2236994087 |
0.69 |
C1(CCC(CC=1)C(C)=C)C(O)=O
|
|
| MCULE-9638281061 |
0.69 |
C1=C(C)CC(=O)/C(=C(/CO)\C)/CC=C(C)CC1
|
|
| MCULE-4167735225 |
0.69 |
C12=CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21O)[C@H](C)[C@H](O)CCC(O)(C)C)=O
|
|
| MCULE-6132152847 |
0.69 |
[C@H]1(O)C[C@]2(C)C3CC[C@]4(C)C([C@@](O)([C@H](O)C[C@H](C)C(C)C)C)CC[C@@]4(O)C3=CC(=O)C2C[C@H]1O
|
|
| MCULE-9660893096 |
0.69 |
C12=CC(=O)[C@]3([C@](C)(C[C@@H]([C@H](O)C3)O)[C@@]1([H])CC[C@]1(C)[C@@](CC[C@@]21O)([H])[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
|
|
| MCULE-1655274985 |
0.69 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1CCC1(C)C(CCC21O)C(C)(O)C(O)CCC(C)(C)O
|
|
| MCULE-4479203479 |
0.69 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-5643440248 |
0.69 |
[C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@H](C)CO)C)C)O
|
|
| MCULE-3979294448 |
0.69 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-1963273832 |
0.69 |
[C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)C[C@@H](C)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
|
|
| MCULE-4964860916 |
0.69 |
C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(O)(C)C(O)CCC(C)C)=O
|
|
| MCULE-5396685230 |
0.69 |
C12=CC(C3([H])CC(O)C(O)CC3(C)C1([H])CCC1(C)C(CCC21O)C(C)C(O)CCC(O)(C)C)=O
|
|
| MCULE-8466128773 |
0.69 |
[C@H]1(O)C[C@]2(C)C3CC[C@]4(C)[C@@H]([C@@H]([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-4797309594 |
0.69 |
[C@@H]1(C[C@@]2([C@@]3([H])CC[C@@]4([C@]([H])(CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)[C@@](C)(O)[C@H](O)CC[C@@H](C)CO)C)C)O
|
|
| MCULE-1821855723 |
0.69 |
C1(CC2(C3CCC4(C(CCC4C(C(O)CC(C)C(O)(C)CO)(C)O)(C3=CC(C2CC1O)=O)O)C)C)O
|
|
| MCULE-3121556913 |
0.69 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@](C)(O)[C@H](O)CCC(C)CO)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
|
|
| MCULE-1490219000 |
0.69 |
C1=CC2([H])CC(O)C3([H])C(C(=O)O)=CC1([H])C23[H]
|
|
| MolPort-006-118-882 |
0.68 |
CC(C)CCCC(C)CCCC(C)CCCC(C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
|
|
| MolPort-006-668-441 |
0.68 |
CC1(C)CCCC(=C)C11CCC(=CC1)C(O)=O
|
|
| MolPort-001-740-910 |
0.68 |
CC(C)C1(O)CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O
|
|
| MolPort-046-793-261 |
0.68 |
C[C@]12CC[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-023-220-687 |
0.68 |
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
|
|
| MolPort-046-793-262 |
0.68 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-596-375 |
0.68 |
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-002-508-612 |
0.68 |
C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-153-808 |
0.68 |
C[C@]12CC[C@H]3C(=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]34C)[C@]1(O)CCC2=O
|
|
| MolPort-001-741-653 |
0.68 |
CC(C)(O)CC(O)CC(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
|
|
| MolPort-046-790-351 |
0.68 |
C[C@@H]1CCC=C2C(=O)C=C[C@@H](C(C)(C)O)[C@@]12C
|
|
| MolPort-006-668-275 |
0.68 |
CC(C)[C@](C)(O)C[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)C4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-021-804-579 |
0.68 |
CC(C)(O)C(O)C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-833-109 |
0.68 |
OC(=O)C1=C(C2CC1C=C2)C(O)=O
|
|
| MCULE-3588728893 |
0.68 |
C1(C)C(=O)C(C)=C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)C=1C
|
|
| MCULE-3860629045 |
0.68 |
C12=CC(O)(C(C)C)CCC1C1(C(C(C(O)=O)(C)CCC1)CC2=O)C
|
|
| MCULE-7321817046 |
0.68 |
CC1([C@@]2(CCC(C(=O)O)=CC2)C(=C)CCC1)C
|
|
| MCULE-9439225491 |
0.68 |
CC1C(=O)C(C)=C(CC[C@](O)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)C(=O)C=1C
|
|
| MCULE-5480996294 |
0.68 |
O=C1CCC2(C)C3CCC4(C)C(O)(CCC4C3CC(O)C2=C1)C(CO)=O
|
|
| MCULE-6566332427 |
0.68 |
C12=CC[C@]3(C(CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
|
|
| MCULE-4046520863 |
0.68 |
[C@@H]1(C[C@@]2(C3CC[C@]4([C@@](CC[C@@H]4[C@@]([C@H](O)CC(O)C(O)(C)C)(C)O)(C3=CC([C@]2([H])C[C@H]1O)=O)O)C)C)O
|
|
| MCULE-6144873686 |
0.68 |
C12=CC(=O)[C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21O)=O
|
|
| MCULE-7110535304 |
0.68 |
C(O)(C)(CC(O)CC(O)(C)C)C1C2(C(C3C(C4(C(CC(C(C4)O)O)C(=O)C=3)C)CC2)(O)CC1)C
|
|
| MCULE-1844358842 |
0.68 |
[C@H]1(O)C[C@@]2(C3CC[C@]4([C@](CCC4[C@](O)(C)[C@H](O)C[C@](O)(C)C(C)C)(O)C3=CC(C2C[C@H]1O)=O)C)C
|
|
| MCULE-3987885076 |
0.68 |
C12=CC[C@]3([C@@H](CC[C@]3(O)C(CO)=O)[C@]1([H])CCC1=CC(=O)CC[C@]21C)C
|
|
| MCULE-7592737892 |
0.68 |
C1(C(=O)O)C2C=CC(C2)C=1C(=O)O
|
|
| MCULE-2078234899 |
0.68 |
C1(=O)C2[C@](C(C)=C1)([H])C[C@@]1([C@]([H])([C@H](CC1)[C@@H](C)/C=C\C=C(\C)/C)CC=C2CO)C
|
|
| MCULE-2519630522 |
0.68 |
C12C(CCC=C(C(O)=O)CCC1C(C)(C)C2)=C
|
|
| MCULE-5532688938 |
0.68 |
C12(C)CCC3C4(C)CCC(=O)C=C4CCC3C1CC(=C)C2(O)C(=O)C
|
|
| MCULE-8499932204 |
0.68 |
C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3[C@H](O)C[C@@]2([H])[C@@](CO)(C)C1
|
|
| MCULE-6072665694 |
0.68 |
C12=CC(=O)[C@]3([C@](C)(CC[C@@H](O)C3)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](O)CCC(C)(C)O)[H]
|
|
| MCULE-6290581989 |
0.68 |
CC(C1C2(C)CC(C3C4(C)CCC(C(C)(C)C4CC(O)C=3C2(C)C(O)C1)=O)=O)CC(CC(C(O)=O)C)=O
|
|
| MCULE-9246661061 |
0.68 |
C(C(=O)OC)C[C@]1(C)C2=CC[C@@]3([C@@]([H])([C@@H](CC/C=C(\C(O)=O)/C)C)CC[C@@]3(C)[C@]2([H])CC[C@@]1([H])C(=C)C)C
|
|
| MCULE-2740918613 |
0.68 |
CC1([C@@]2([H])[C@](C3C(=O)C[C@@]4(C)[C@@](C)([C@H](C[C@@H]4[C@@H](CC(=O)C[C@H](C(=O)O)C)C)O)C=3[C@H](C2)O)(C)CCC1=O)C
|
|
| MCULE-6828135112 |
0.68 |
C1[C@@H]2C[C@]32[C@]2(O)C(=O)C[C@@](C)(C=C)C=C2C(=O)C(O)=C3[C@@](C(=O)O)(C)C1
|
|
| MolPort-039-009-099 |
0.68 |
CC(=O)C1(O)C(=C)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-790-504 |
0.68 |
CC1=C2C[C@@H](CC[C@@]2(C)CCC1=O)C(=C)C(O)=O
|
|
| MolPort-035-706-191 |
0.68 |
CC1(C)CCC[C@]2(C)C=C(C=O)[C@H](O)C[C@@H]12
|
|
| MolPort-001-742-388 |
0.68 |
CC1(C)CC2C1CC\C(=C/CCC2=C)C(O)=O
|
|
| MolPort-044-723-276 |
0.68 |
C[C@@]1(CO)CCC[C@]2(C)[C@H]3CCC(=O)C=C3[C@H](O)C[C@@H]12
|
|
| MolPort-027-640-986 |
0.68 |
CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C(=O)CC1=O
|
|
| MolPort-002-524-727 |
0.68 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-534-834 |
0.68 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-039-338-852 |
0.68 |
COC(=O)CC[C@@]1(C)[C@@H](CC[C@@H]2C1=CC[C@]1(C)[C@H](CC[C@@]21C)[C@H](C)CC\C=C(\C)C(O)=O)C(C)=C
|
|
| MolPort-020-001-490 |
0.68 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
|
|
| MolPort-039-141-999 |
0.68 |
CC(CC(=O)CC(C)C(O)=O)C1CC(O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3O
|
|
| MolPort-039-338-983 |
0.68 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
|
|
| MolPort-039-338-121 |
0.68 |
C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O)C(O)=O
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|
| MolPort-035-686-140 |
0.68 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
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0.67 |
C[C@]1(CC(=O)[C@]2(O)C(=C1)C(=O)C(O)=C1[C@]22C[C@H]2CC[C@@]1(C)C(O)=O)C=C
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C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
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C[C@@H](CCC=C(C)C)[C@H]1CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12
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C[C@@H](CCC=C(C)C)[C@@]1(O)CC[C@]2(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)\C(C=O)=C/C[C@@H]12
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0.67 |
CC1=C(C(O)=O)C(C)(C)CCC1
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0.67 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@]13C[C@@H](C(=C)C1)C(=O)C=C23)C(O)=O
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CC(C)=C1C[C@H]2[C@@H](CC[C@]2(C)O)C(C)=CC1=O
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CC(C)=C1CC2C(CCC2(C)O)C(C)=CC1=O
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0.67 |
CC(C)CC(=O)CC(C)C1CCC(=CC1)C(O)=O
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| MolPort-002-800-680 |
0.67 |
CC(C)(C)C1CCC(=CC1)C(O)=O
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CC(=C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@]2(O)C1
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CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](CCCCCCC(O)=O)C(=O)CC1=O
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CC(O)C(O)\C=C(/C)C1CCC2C3=CC(=O)C4CC(O)CC=C(C4)C3CCC12C
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CC1(C)CC(O)=CC(=O)C11CCC(=O)C=C1
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C\C(=C/CO)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
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C[C@@H]1CC2C3CCC4=CC(=O)C=CC4(C)C3=CCC2(C)[C@@]1(O)C(=O)CO
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0.67 |
C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@]1(O)C(=O)CO
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C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@@]1(O)C(=O)CO
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0.67 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
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0.67 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
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0.67 |
C[C@]12CC[C@H]3[C@@H](C=C(CO)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
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0.67 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O
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C[C@@]1(CO)CC=C[C@@]2(C)C1=C(O)C(=O)C1=C[C@](C)(CC[C@]21O)C=C
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0.67 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C(O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
|
|
| MCULE-3192846064 |
0.67 |
C12(C=CC(=O)CC1)C(=O)C=C(O)CC2(C)C
|
|
| MCULE-6914354313 |
0.67 |
C1=CC2C=CC3C(C(O)=O)=CC1C23
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|
| MCULE-7065925222 |
0.67 |
C[C@]12CC=C3[C@](CCC4[C@]3(C)C=CC(=O)C=4)([H])[C@]1([H])C[C@@H](C)[C@]2(O)C(=O)CO
|
|
| MCULE-3327848610 |
0.67 |
C1(CC2(C3CCC4(C)C(C(C)(O)C(CC(=C)C(O)(C)C)O)CCC4(O)C3=CC(=O)C2CC1O)C)O
|
|
| MCULE-8544656876 |
0.67 |
C12CC(CC=C(C1)C1CCC3(C)C(/C(/C)=C/C(O)C(C)O)CCC3C1=CC2=O)O
|
|
| MCULE-4179231449 |
0.67 |
C1C(C)(C)[C@@](O)(/C=C/C(/C)=C/CO)C(C)=CC1=O
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|
| MCULE-5535106408 |
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C1=C[C@]2(C)[C@@]3(O)CC[C@](C)(C=C)C=C3C(=O)C(O)=C2[C@](C)(CO)C1
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|
| MCULE-9742304708 |
0.67 |
C1C(C(O)=O)=CC[C@@H](C(O)(C)C)C1
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|
| MCULE-2832089707 |
0.67 |
C1CC2(C)C3=CC(=O)C(C)(C=C)CC3CCC2C(C(=O)O)(C)C1
|
|
| MCULE-9381861258 |
0.67 |
C1(O)CC2C(C)(CCC(CC(O)=O)C)C(C)CCC2(C)C(C(O)=O)=C1
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|
| MCULE-1436572136 |
0.67 |
C12[C@@]([H])([C@H](C)CC[C@@]1([H])/C(/[H])=C(\C)/C(O)=O)[C@@H](CC=2C)O
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| MCULE-9310117393 |
0.67 |
C1CC2(C)C3CCC(C)(C=C)C=C3C(O)CC2C(C(=O)O)(C)C1
|
|
| MCULE-4243027733 |
0.67 |
C(O)(C1C(C)(C)C(C=CC(O)=O)(C)CC1)=O
|
|
| MCULE-2797527002 |
0.67 |
C1(C(=O)O)=CCC(CCCCCC)CC1
|
|
| MCULE-6477437107 |
0.67 |
C1(CCCC(=O)C=1)C(O)=O
|
|
| MCULE-9150714373 |
0.67 |
C1(C(C)(C)CCCC=1C)C(O)=O
|
|
| MCULE-9857200349 |
0.67 |
C1(CCC(CC=1)C(C)(C)C)C(O)=O
|
|
| MCULE-4737898468 |
0.67 |
[H]C12CC(O)CCC1(C)C1CCC3(C)C(C(C)C=CC(C)C(C)C)CCC3C=1C(C2)=O
|
|
| MCULE-9797468470 |
0.67 |
CCC([C@]1(C)[C@@]2(C)C[C@H](O)[C@@H]3[C@]4(C)C(=CC(C=C4)=O)CC[C@H]3[C@@H]2C[C@H]1C)=O
|
|
| MCULE-2255462467 |
0.67 |
C1C[C@]([C@@]2([C@](C1)(C)C1[C@]3(CC2)CC(=C)[C@@]([H])(C(=O)C=1)C3)[H])(C(O)=O)C
|
|
| MCULE-4110286960 |
0.67 |
[C@@]12([H])CC[C@@](O)(C)[C@@]1([H])C/C(=C(/C)\C)/C(=O)C=C2C
|
|
| MCULE-5855122450 |
0.67 |
C12C/C(=C(/C)\C)/C(=O)C=C(C)C1CCC2(C)O
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| MolPort-046-766-286 |
0.67 |
CC1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)C(CO)=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C
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| MolPort-019-936-761 |
0.67 |
CC1(CCC2C(=C1)C(O)CC1C2(C)CCCC1(C)C(O)=O)C=C
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| MolPort-035-706-111 |
0.67 |
CC(C)(O)[C@H]1CCC(=CC1)C(O)=O
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|
| MolPort-021-804-809 |
0.67 |
CC1(CC2CCC3C(C)(CCCC3(C)C2=CC1=O)C(O)=O)C=C
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| MolPort-019-937-243 |
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C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)C[C@@H](O)[C@H]12
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|
| MolPort-019-937-543 |
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CC(CCC1(C)C(C)CCC2(C)C1CC(O)C=C2C(O)=O)CC(O)=O
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|
| MolPort-046-766-235 |
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C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@@H]21)C=O
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| MolPort-028-610-172 |
0.67 |
CC1(CCC2C(=C1)C(=O)CC1C2(C)CCCC1(C)C(O)=O)C=C
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|
| MolPort-046-790-392 |
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C[C@@H]1CC(=O)C=C2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@@]12C
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| MolPort-039-338-980 |
0.67 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O
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| MolPort-039-052-429 |
0.66 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC\C([C@@H](CCC(O)=O)[C@]3(C)CC[C@]12C)=C(/C)C(O)=O
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| MolPort-005-944-580 |
0.66 |
CC1CCC2C(=CC3CC(C)(C)CC123)C(O)=O
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| MolPort-044-183-226 |
0.66 |
CCCCCC(=O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=C
|
|
| MCULE-7895815151 |
0.66 |
O=C1C=CC(O)C2CC=CC(C21)C(O)=O
|
|
| MCULE-2475543698 |
0.66 |
C1(=O)C=CC2(C)C3([H])C(O)CC4(C)C(C(CO)=O)([H])CCC4([H])C3([H])CCC2=C1
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|
| MCULE-2366326470 |
0.66 |
C12C3C4C(C5C1C(C(O)=O)=C(C(O)=O)C35)C2C=C4
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|
| MCULE-1872459490 |
0.66 |
C(C[C@@]1(/C(/CC[C@@]2([H])[C@]3(C)CC[C@]([H])([C@@H](CC/C=C(\C)/C(=O)O)C)[C@@]3(C)CC[C@]21C)=C(\C(O)=O)/C)[H])C(O)=O
|
|
| MCULE-9549317752 |
0.66 |
C12CC(C)(C)CC31C(C)CCC3C(C(O)=O)=C2
|
|
| MCULE-1842199780 |
0.66 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)[C@H]1O
|
|
| MCULE-2950001631 |
0.66 |
C1CCCCCCC(C(O)=O)=C(C(O)=O)CC1
|
|
| MCULE-9151137367 |
0.66 |
O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(C)=O
|
|
| MCULE-5656457852 |
0.66 |
O=C(OC)C1C2(C)C(C(C)(C)C(C)(C(C)=C2C)C=1C(OC)=O)=O
|
|
| MCULE-2944100707 |
0.66 |
CC1([C@@H](O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](O)C(=O)C=12)O)C
|
|
| MCULE-1800361961 |
0.66 |
CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CCC(=O)O)C)CC3=O)(C)[C@H](O)C(=O)C=12)O)C
|
|
| MCULE-6133157786 |
0.66 |
C1=CC2(C)C3=CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1=O
|
|
| MCULE-5202334671 |
0.66 |
C1C(C(=O)O)C(C(=O)O)=C(C)C1
|
|
| MCULE-7255355215 |
0.66 |
OC(CC1=C(C(O)=O)CCCC1)=O
|
|
| MCULE-4114109251 |
0.66 |
C12C3C4C5C3C1C(C(=O)O)=C(C(=O)O)C5C24
|
|
| MCULE-9248944569 |
0.66 |
C1C[C@]2(C([C@@](C1)(C(O)=O)C)CC(=O)C1=C2CC[C@](C)(C=C)C1)C
|
|
| MCULE-2036056204 |
0.66 |
C1CC2(C)C=C(C(=O)O)C(O)CC2C(C)(C)C1
|
|
| MCULE-5560129850 |
0.66 |
C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@@](O)(CO)C)C2)[C@@H]1C
|
|
| MCULE-8346653877 |
0.66 |
CC1CC(C)(C)CCC=1C(=O)O
|
|
| MCULE-3161766037 |
0.66 |
C(O)(C1=CCCCCCCCCC1)=O
|
|
| MCULE-7591106214 |
0.66 |
C1C(=O)C=C(C)[C@]2(CC[C@@]([H])([C@](O)(CO)C)C2)[C@@H]1C
|
|
| MCULE-1387376761 |
0.66 |
C12CCC(O)C1(C)CCC1=CC(=O)CCC21
|
|
| MCULE-8147130899 |
0.66 |
C(CCCCCC(=O)O)C(/C=C\C/C=C\CCCCC)O
|
|
| MCULE-8997971805 |
0.66 |
[C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(C)O)CCC12)=O
|
|
| MCULE-1566569432 |
0.66 |
[C@]12(C)CCC(C=C1C(=O)CC1C3[C@@](C)([C@@](CC3)(CC)O)CCC12)=O
|
|
| MolPort-046-790-364 |
0.66 |
C[C@H](CCC(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O
|
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| MolPort-042-675-447 |
0.66 |
CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CC=C1C2(C)CCC2C(C)(C)C(=O)C=CC12C
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| MolPort-046-153-765 |
0.66 |
CC(CC(=O)C[C@](C)(O)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
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| MolPort-046-689-207 |
0.66 |
[Na+].C[C@@H]1C(O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@H]2C(O)C[C@H]2\C([C@@H](O)C[C@]12C)=C(\CCC=C(C)C)C([O-])=O
|
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| MolPort-046-690-013 |
0.66 |
[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](C[C@@H](O)C3=CC(=O)CC[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
|
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| MolPort-046-764-998 |
0.66 |
C[C@]12C[C@H](O)[C@@H]3[C@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-766-230 |
0.66 |
C[C@]12C[C@@H](O)[C@@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@H]1CC[C@@]2(O)C(=O)CO
|
|
| MolPort-046-591-168 |
0.66 |
OC(=O)CC1=C(CCCC1)C(O)=O
|
|
| MolPort-046-792-919 |
0.66 |
CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)C\C(=C/O)C1=O
|
|
| MolPort-027-640-982 |
0.66 |
CCCCC[C@H](O)C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
|
|
| MolPort-003-941-707 |
0.66 |
C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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| MolPort-001-739-246 |
0.66 |
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO
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|
| MolPort-046-702-539 |
0.66 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CC(O)C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
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| MolPort-046-765-403 |
0.66 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
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|
| MolPort-046-692-934 |
0.66 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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| MolPort-006-668-579 |
0.66 |
CC1(C)CCCC2(C)C=C(C(O)CC12)C(O)=O
|
|
| MolPort-001-740-973 |
0.66 |
C[C@@]1(CCC2=C(C1)C(=O)CC1[C@@](C)(CCC[C@]21C)C(O)=O)C=C
|
|
| MolPort-038-386-640 |
0.66 |
CC\C=C/CC(O)\C=C\C(=O)CCCCCCCCC(O)=O
|
|
| MolPort-009-018-291 |
0.66 |
CCCCCC(O)\C=C\[C@@H]1C(CCCCCCCO)C(O)CC1=O
|
|
| MolPort-039-060-935 |
0.66 |
CC1=C(CCC(C)(C)C1)C(O)=O
|
|
| MolPort-019-904-832 |
0.66 |
CC1CCC(=CC1)C(O)=O
|
|
| MolPort-002-507-411 |
0.66 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@@]2(O)C=C
|
|
| MolPort-039-239-507 |
0.66 |
CC1(C)CCC(=CC1)C(O)=O
|
|
| MolPort-004-801-991 |
0.66 |
CC1(C)CCC=C(C1)C(O)=O
|
|
| MolPort-039-141-884 |
0.66 |
C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@](C)(O)CO
|
|
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0.66 |
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@](C)(O)C=C
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CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C=C
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CCCCC\C=C/C\C=C/C(O)CCCCCCC(O)=O
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C[C@@H]1CC(=O)C=C(C)[C@]11CC[C@H](C1)[C@@](C)(O)CO
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CC(CC(=O)C[C@](C)(O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
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CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
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CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
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CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
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CC(C)(O)CC[C@H](O)C(C)(O)C1CC[C@@]2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3[C@H](O)CC12C
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CC(C)(O)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)C3[C@H](O)C[C@]12C
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CCCCC[C@](C)(O)\C=C\[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=O
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CCCCCC(O)\C=C\[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=O
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CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C\CCCC(O)=O)[C@@H](O)CC1=O
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CCCCCC(O)\C=C\[C@@H]1C(C\C=C\CCCC(O)=O)C(O)CC1=O
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CCCCC[C@@](C)(O)\C=C\[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=O
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CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
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OC(=O)C1=C(C2C3C4CC2C1C34)C(O)=O
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
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CCCCC[C@@H](O)\C=C\[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=O
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CCCCC(C)(C)[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC(O)=O)[C@@H](O)CC1=O
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C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(O)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MCULE-1698252366 |
0.65 |
C12=CC(=O)C3C(C)(CC(C(O)C3)O)C1[C@H](O)CC1(C)C(CC[C@]12O)[C@@](C)(O)[C@@H](O)CCC(C)(C)O
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0.65 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(O)(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
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| MCULE-2618463932 |
0.65 |
[C@H]1(O)C[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@@]([H])([C@@](O)([C@H](O)CCC(C)C)C)CC[C@@]4(O)C3=CC(=O)[C@]2([H])C[C@H]1O
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|
| MCULE-2271099763 |
0.65 |
C12CC3C4C(C(O)=O)=C(C(=O)O)C3C1C24
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|
| MCULE-2528813222 |
0.65 |
C1=C[C@]2(C)C3CC[C@]4(C)C(=O)CCC4C3C[C@@H](CO)C2=CC1=O
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|
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0.65 |
C1=C[C@]2(C(=CC1=O)CC[C@@]1([H])[C@]3([H])CC[C@]([H])(C(=O)O)[C@]3(CC([C@]21[H])=O)C)C
|
|
| MCULE-3167433007 |
0.65 |
O=C1C=CC2(C)C3C(O)CC4(C)C(O)(CCC4C3CC(C)C2=C1)C(C)=O
|
|
| MCULE-7117901308 |
0.65 |
C1CC2(C)C3C(=O)CC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
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| MCULE-8193803152 |
0.65 |
CC1([C@H](CC[C@@]2(C3CC[C@@]4(C)[C@@](C)(CC[C@@H]4[C@@H](C(C/C=C(\C)/C)O)C)C=3C(=O)C[C@@]12[H])C)O)C
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|
| MCULE-1640770034 |
0.65 |
C1(C(OC)=O)C2C=CC(C3C=CC32)C=1C(OC)=O
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|
| MCULE-9280913968 |
0.65 |
C1=CC2C3C(C=C2)C2=CCC(C(OC)=O)=C(C(=O)OC)C2C13
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|
| MCULE-2237684707 |
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C12(CC(C(=O)C(C)=C1CC)C)C(=O)CCC2C(O)=O
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|
| MCULE-8204848346 |
0.65 |
C1CC2(C(O)(CO)C(=CC(=O)C2C(C1O)(C)C)C)C
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|
| MCULE-9001401593 |
0.65 |
C1(=O)C=C(C)CC(O)C(=O)C(C)(C)CC=C(C1)CO
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|
| MCULE-9871680934 |
0.65 |
C12(C)CC=C(C(=O)O)CCC1C(O)(C(O)(C)C)C(O)C2
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|
| MCULE-5037820521 |
0.65 |
C1C(CC2(O)C=C(C3C21C(C)CC3)C(=O)O)(C)C
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|
| MolPort-046-646-765 |
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OC(=O)C1=CC2CCCC12
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|
| MolPort-046-153-152 |
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CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
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COC(=O)C1=C(C2C=CC1C1C=CC21)C(=O)OC
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| MolPort-039-338-838 |
0.65 |
C[C@H](CC(=O)\C=C(\C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1C[C@@H]3O)C(O)=O
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C[C@H](CC(=O)\C=C(\C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O)C(O)=O
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CCC1=C(C)C(=O)C(C)CC11C(CCC1=O)C(O)=O
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| MolPort-046-697-360 |
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C\C1=C/C(=O)C\C(CO)=C\CC(C)(C)C(=O)C(O)C1
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|
| MolPort-001-739-242 |
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CC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1(O)CO
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|
| MolPort-039-338-234 |
0.65 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H]([C@@H](O)C=C21)C(=C)C3)C(O)=O
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CC1CCC2C(=CC3(O)CC(C)(C)CC123)C(O)=O
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
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C[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
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CCCCCC(O)\C=C\[C@@H]1C(C\C=C/CCCC(O)=O)C(O)CC1=C
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CCCCCC(O)\C=C\[C@@H]1C(CCCCCCC(O)=O)C(O)CC1=O
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CC(C)(O)C1(O)C(O)CC2(C)CC=C(CCC12)C(O)=O
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C[C@@H](CC\C=C(\C)C(O)=O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C
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C\C(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)=C/C(O)=O
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CC(C1CC=C(C)C(=O)C1)C(O)=O
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OC(=O)C1=CC2CCCCCCC12
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OC(=O)C1=CCCCCC1
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CC(C)CCCC(C)C1CCC2C(C(CC[C@]12C)[C@@]1(C)CCC(=O)C=C1)C(O)=O
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CC(=O)\C=C\[C@@H]1C(=C)CC[C@H]2[C@@]1(C)CCC[C@]2(C)C(O)=O
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C[CH]C1CC[C]2[C]1CCC1[C]3C[CH][C@H](O)C[C@H]3C(=O)C=C21
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C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C
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C[C@H]1C[C@@H]2C3=CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)C1(O)C(=O)CO
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C\C(\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C/C(O)=O
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C\C(\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O
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C[C@@H]1C[C@H]2C3=CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)C1(O)C(=O)CO
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C\C(\C=C\C1(O)C(C)=CC(=O)CC1(C)C)=C\C(O)=O
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C\C(\C=C\C1(O)C(C)=CC(=O)CC1(C)C)=C/C(O)=O
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C\C(=C/CO)C1C(C)=CC2CC(C)(O)CC(C2C1(C)C(=O)CCO)C(O)=O
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CC12CC(=O)C3=C(C(O)CC4C(C)(C)C(=O)CCC34C)C1(C)C(O)CC2C(=C)CCC(O)=O
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CC1CC2C3CCC(O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
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CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
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CC12CC(O)[C@H]3C(CCC4=CC(=O)C=CC34C)[C@@H]1CC[C@]2(O)C(=O)CO
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C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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C[C@H]1CC2C3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(O)C2[C@@]2(C)C=CC(=O)C=C12
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CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
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C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
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CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)CO
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C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)[C@H](O)CO
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[2H]C1([2H])[C@@]([2H])(O)[C@H]2[C@@H](C[C@H](C)C3=CC(=O)C=C[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
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C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
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C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
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C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@H]1CC[C@@]2(O)[C@@H](O)CO
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C[C@H]1CC2C3CC[C@](O)(C(=O)CO)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
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C1C[C@@]2(C)[C@]([H])(/C=C/C(=O)C)C(=C)CC[C@]2([H])[C@](C(O)=O)(C)C1
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|
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[C@]12(C)CCC(C(C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC(C=C1)=O
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| MCULE-1005769729 |
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C1C[C@]2(C)C(CC/C(/C)=C/C(=O)O)=C(C)C(=O)CC2C(C)(C)C1
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0.64 |
CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H](/C(=C/C(C[C@@H](C(=O)O)C)=O)/C)CC3=O)(C)[C@H](O)C(=O)C=12)O)C
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C1C(C)(C)[C@@](O)(C=CC(C)=CC(O)=O)C(C)=CC1=O
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O=C(/C=C(\C=C\C1(C(C)(C)CC(=O)C=C1C)O)/C)O
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C1(C)(C)CC(=O)C=C(C)C1(C=CC(C)=CC(=O)O)O
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| MCULE-8802778088 |
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C(O)(=O)C=C(C=C[C@@]1(O)C(=CC(=O)CC1(C)C)C)C
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|
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C1(C(C)=CC2C(C1(C)C(CCO)=O)C(C(=O)O)CC(C)(O)C2)/C(=C/CO)/C
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[C@H]1(O)C[C@@]2([C@@]3([H])[C@H](O)C[C@@]4([C@@](CC[C@@]4(O)C3=CC([C@]2([H])C[C@H]1O)=O)([H])[C@](O)(C)[C@H](O)C[C@H](O)C(C)C)C)C
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0.64 |
C1(=O)C=CC2(C)C3C(O)CC4(C)C(O)(C(=O)CO)C(C)CC4C3CCC2=C1
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|
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0.64 |
C[C@@H]1C2=CC(C=C[C@]2(C)[C@@H]2[C@H]([C@H]3[C@](C)(C[C@@H]2O)[C@@](O)(C(CO)=O)CC3)C1)=O
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|
| MCULE-6519818800 |
0.64 |
[C@]12(C)C=CC(C=C1[C@H](C[C@@]1([H])[C@]3([C@@](C)([C@@](CC3)(O)C(CO)=O)C[C@H](O)[C@]21[H])[H])C)=O
|
|
| MCULE-5764697777 |
0.64 |
C1=CC2(C)C3C(C4CCC(O)(C(=O)CO)C4(CC3O)C)CC(C)C2=CC1=O
|
|
| MCULE-8934838036 |
0.64 |
C12(C)C=CC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(CO)=O)CC(O)C21)C)=O
|
|
| MCULE-2390783905 |
0.64 |
[C@]12(C)[C@H](O)CC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1[C@H](C[C@@H]2C(C)=O)O
|
|
| MCULE-3632970812 |
0.64 |
O=C1CCC2(C)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
|
|
| MCULE-1990275167 |
0.64 |
C12CCC3=C(CC)C(CCC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
|
|
| MCULE-5274452426 |
0.64 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
|
|
| MCULE-4203969651 |
0.64 |
C1(=CC(C(C)=CC1=O)=O)CCC1=CC(C(C)=CC1=O)=O
|
|
| MCULE-1294118086 |
0.64 |
[C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@@H]2O)C)=O
|
|
| MCULE-4464327459 |
0.64 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-9131674305 |
0.64 |
O=C1CCC2(C)C3CCC4(C)C(CO)CCC4C3CCC2=C1
|
|
| MCULE-3333652397 |
0.64 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2O)C)=O
|
|
| MCULE-8302753934 |
0.64 |
C1(=CC(C=CC1=O)=O)CCC1=CC(C=CC1=O)=O
|
|
| MCULE-5063748511 |
0.64 |
C12CCC3=CC([C@H](C)CC3(C)C1CCC1(C)[C@](CCC21)(O)C)=O
|
|
| MCULE-1660040884 |
0.64 |
C[C@]12CC[C@@]3([H])[C@](CCC4[C@]3(C)CCC(=O)C=4)([H])[C@]1([H])CC[C@@]2(O)C
|
|
| MCULE-8721567365 |
0.64 |
[C@@]12(C)C(O)CC[C@@]1([H])[C@]1([C@@]([H])(C3CCC(C=C3CC1)=O)CC2)[H]
|
|
| MCULE-3946245376 |
0.64 |
C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2(C)O)C)=O
|
|
| MCULE-1065645853 |
0.64 |
[C@]12(C)CCC(C=C1CCC1C2CC[C@]2(C1CCC2(C)O)C)=O
|
|
| MCULE-4241274271 |
0.64 |
C1(=O)C[C@]2([H])[C@@](C)(CC[C@@](O)(C=C)C)[C@H](C)CC[C@@]2(C)C(C)=C1
|
|
| MCULE-3841271177 |
0.64 |
C12(C)C(O)CCC1([H])C1([H])C([H])(C3([H])CCC(C=C3CC1)=O)CC2
|
|
| MCULE-7998597001 |
0.64 |
C[C@H]1[C@H]2[C@H]3[C@](C)(CC[C@@H]2[C@@H]2C(=CC(CC2)=O)C1)[C@](O)(C)CC3
|
|
| MCULE-3945869814 |
0.64 |
C12C(=O)C[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CCC1C=2CC[C@@]2([C@]1(C)CC[C@@H](O)C2)[H]
|
|
| MCULE-1657159254 |
0.64 |
[C@@]12(C)[C@@H](O)CC[C@@]1([H])[C@]1([C@@]([H])([C@H]3CCC(C=C3CC1)=O)CC2)[H]
|
|
| MCULE-2793674012 |
0.64 |
CC(C1C2(C)C(O)C(C3C4(C)CCC(O)C(C)(C)C4CC(=O)C=3C2(C)C(=O)C1)=O)CC(CC(C(O)=O)C)=O
|
|
| MCULE-8952366396 |
0.64 |
C1=CC2CC1(C13CC(C(C(OC)=O)=C1C(OC)=O)C=C3)C(C(OC)=O)=C2C(OC)=O
|
|
| MCULE-9383833777 |
0.64 |
C1(O)CC2(C(O)(CO)C(=CC(C2C(C)(C1)C)=O)C)C
|
|
| MCULE-4758818217 |
0.64 |
O=C1C=CC(C2C(C=CCC21)C(O)=O)=O
|
|
| MolPort-002-525-628 |
0.64 |
CC(=O)[C@H]1C[C@H](O)C2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3C[C@@H](O)[C@]12C
|
|
| MolPort-002-911-071 |
0.64 |
C[C@@H]1CC2(C)C3CCC4(C)C(CC[C@]4(C)O)C3CCC2=CC1=O
|
|
| MolPort-002-911-080 |
0.64 |
C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
|
|
| MolPort-002-911-141 |
0.64 |
CC(O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-002-527-294 |
0.64 |
CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-894-037 |
0.64 |
CC1=CC(=O)C(CCC2=CC(=O)C(C)=CC2=O)=CC1=O
|
|
| MolPort-002-911-148 |
0.64 |
CCC1=C2CCC3C4CC[C@](C)(O)C4(C)CCC3C2(C)CCC1=O
|
|
| MolPort-002-915-849 |
0.64 |
O=C1C=CC(=O)C(CCC2=CC(=O)C=CC2=O)=C1
|
|
| MolPort-002-800-539 |
0.64 |
CC12CCC3C(CCC4=CC(O)CCC34C)C1CCC2=O
|
|
| MolPort-003-849-312 |
0.64 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@H]2O
|
|
| MolPort-019-997-276 |
0.64 |
C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2O
|
|
| MolPort-004-285-983 |
0.64 |
CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-002-526-688 |
0.64 |
C[C@]12CCC3[C@@H](CCC4=C[C@H](O)CC[C@]34C)C1CCC2=O
|
|
| MolPort-002-526-059 |
0.64 |
C[C@]1(O)CCC2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-520-919 |
0.64 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34)[C@@H]1CCC2O
|
|
| MolPort-005-937-958 |
0.64 |
C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-512-678 |
0.64 |
C[C@@H]1CC2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-006-069-421 |
0.64 |
C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-006-111-052 |
0.64 |
C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-507-387 |
0.64 |
C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-002-507-282 |
0.64 |
CC1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-001-791-998 |
0.64 |
OC(=O)C1=CCCCC1
|
|
| MolPort-001-785-932 |
0.64 |
CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-046-793-369 |
0.64 |
[2H][C@@H]1C[C@H]2[C@H]3CC[C@@H]([C@@H](C)O)[C@@]3(C)CCC2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
|
|
| MolPort-000-146-103 |
0.64 |
CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-765-861 |
0.64 |
[2H][C@@H]1C[C@H]2[C@H]3CC[C@@H](C(C)O)[C@]3(C)CC[C@H]2[C@@]2(C)CC([2H])([2H])C(=O)C([2H])=C12
|
|
| MolPort-046-693-069 |
0.64 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)C=C[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-046-596-363 |
0.64 |
C[C@@H]1CC2C3CCC4=CC(O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
|
|
| MolPort-046-596-387 |
0.64 |
CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CC[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-596-410 |
0.64 |
C[C@]1(O)CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-039-338-836 |
0.64 |
C[C@H](CC(=O)\C=C(\C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1C[C@@H]3O)C(O)=O
|
|
| MolPort-039-338-791 |
0.64 |
C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O
|
|
| MolPort-046-690-504 |
0.64 |
C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-793-201 |
0.64 |
C[C@]12CC[C@H]3[C@@H](CCC4=C[13C](=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-046-692-950 |
0.64 |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)C=C[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-046-691-031 |
0.64 |
[2H]C1([2H])C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@]1([2H])O
|
|
| MolPort-046-693-157 |
0.64 |
CC1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]23)CC1=O
|
|
| MolPort-039-338-302 |
0.64 |
C[C@@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CC[C@@](C)(O)C=C
|
|
| MolPort-046-764-442 |
0.64 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
| MolPort-046-764-565 |
0.64 |
C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@H]34)[C@@H]1CCC2=O
|
|
| MolPort-046-765-305 |
0.64 |
CC1=C2CC[C@H]3[C@H]4CCC(C)(O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O
|
|
| MolPort-046-765-340 |
0.64 |
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-046-417-742 |
0.64 |
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
|
|
| MolPort-001-739-243 |
0.64 |
CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1(O)CO
|
|
| MolPort-003-660-954 |
0.64 |
CC(C)C1=C(O)C(=O)C2=C([C@H](O)C[C@H]3C(C)(C)CCC[C@]23C)C1=O
|
|
| MolPort-039-338-547 |
0.63 |
CC(C)=C1C[C@H]2C(CC[C@]2(C)O)=C(C)CC1=O
|
|
| MolPort-003-958-619 |
0.63 |
C[C@H]1C[C@H]2[C@@H]3CC[C@H](C(C)=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-039-338-083 |
0.63 |
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-042-675-448 |
0.63 |
CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CCC1C2(C)CCC2C(C)(C)C(=O)C=CC12C
|
|
| MolPort-006-069-321 |
0.63 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-046-153-151 |
0.63 |
CC(CCC(O)C(C)(C)O)C1CCC2(C)C3=C(C(=O)CC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-046-153-169 |
0.63 |
CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-003-935-694 |
0.63 |
C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)CC[C@H]12
|
|
| MolPort-046-647-049 |
0.63 |
OC(=O)C1=C[C@@H]2CCCC[C@H]12
|
|
| MolPort-019-937-489 |
0.63 |
CC12CCCC(C)(C)C1CC=C2C(O)=O
|
|
| MolPort-046-677-777 |
0.63 |
OC(=O)C1=CC2CC\C=C/CCC12
|
|
| MolPort-046-677-788 |
0.63 |
OC(=O)C1=CC2CCCCCC12
|
|
| MolPort-002-841-842 |
0.63 |
CC(C)CCCC(C)C1CCC2[C@H](C(CC[C@]12C)[C@@]1(C)CCC=CC1=O)C(O)=O
|
|
| MolPort-002-510-335 |
0.63 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@H](O)C[C@]12C
|
|
| MolPort-000-480-394 |
0.63 |
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
|
|
| MolPort-002-507-121 |
0.63 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
|
|
| MolPort-035-705-808 |
0.63 |
CC(C)C1=CC(=O)[C@](C)(O)[C@@H]2[C@@H]3C=C(C(C)C)[C@H]([C@H]12)C(=O)[C@]3(C)O
|
|
| MolPort-046-765-463 |
0.63 |
CC[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@H]34)[C@@H]1CCC2(O)C#C
|
|
| MolPort-044-830-290 |
0.63 |
C[C@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
|
|
| MolPort-046-689-244 |
0.63 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)C=O)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-046-690-024 |
0.63 |
CC[C@@]12CC[C@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
|
|
| MolPort-046-765-574 |
0.63 |
C[C@@H]1C[C@H]2[C@H]3CC[C@@](O)(C(=O)C=O)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-046-765-400 |
0.63 |
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@]34C(O)=O)[C@H]1CCC2=O
|
|
| MCULE-3727435032 |
0.63 |
C(O)(C1=CCC2C1(C)CCC1C2CC=C2CC(O)CCC21C)=O
|
|
| MCULE-9358636585 |
0.63 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-6482685801 |
0.63 |
C1CC2(C)C3C(=O)CC4(C)C(C(CCC(O)C(O)(C)C)C)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-2011201542 |
0.63 |
[C@]12(C)CCC([C@H](C(O)=O)C1CCC2C(C)CCCC(C)C)[C@@]1(C)CCC=CC1=O
|
|
| MCULE-7010605333 |
0.63 |
C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@H](C(=O)C)CC3)C[C@@H]2C
|
|
| MCULE-7325515313 |
0.63 |
C1=CC2(C)C3CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1=O
|
|
| MCULE-4690967590 |
0.63 |
C12(C)CCC(C=C1C(C)CC1([H])C3(C(C)(C(CC3)C(C)=O)CC(O)C21[H])[H])=O
|
|
| MCULE-2582951504 |
0.63 |
C1CC2(C)C(C(O)=O)=CCC2C(C)(C)C1
|
|
| MCULE-9449984869 |
0.63 |
C1CC2(C)C3CCC4(C)C(C(CC/C=C(\C)/C)C(O)=O)CCC4(C)C=3C(=O)CC2C(C)(C)C1=O
|
|
| MCULE-6095158575 |
0.63 |
C1=C(C(C)C)[C@@]2([H])[C@H]3C(C(C)C)=C[C@H]([C@@](C)(O)C3=O)[C@@]2([H])[C@@](C)(O)C1=O
|
|
| MCULE-2022303549 |
0.63 |
C1(=O)CCC2(C)C3C(O)CC4(C=O)C(C(CO)=O)CCC4C3CCC2=C1
|
|
| MCULE-6879064173 |
0.63 |
C12C[C@@H](CC[C@H](C)[C@]1([H])CC(=O)C=2C)C(=C)C(O)=O
|
|
| MCULE-4849477341 |
0.63 |
[C@]12(C)CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(CO)=C
|
|
| MCULE-9921246997 |
0.63 |
O[C@H]1C[C@]2(C=O)[C@@H](C(CO)=O)CC[C@H]2[C@@H]2CCC3=CC(CC[C@]3(C)[C@H]21)=O
|
|
| MCULE-9310183372 |
0.63 |
C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)O
|
|
| MCULE-8026671401 |
0.63 |
CC1(C(=O)CC[C@@]2(C)[C@H]1C[C@@H](C1[C@@]3(C)[C@]([C@@H]([C@@H](CC(C[C@H](C(=O)O)C)=O)C)C[C@@H]3O)(C)[C@H](O)C(=O)C=12)O)C
|
|
| MCULE-2582517969 |
0.63 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])(C(C(=O)O)=C)[C@@]2([H])C=C1C
|
|
| MCULE-4839802180 |
0.63 |
[C@@]12([H])CC[C@H](C(=O)CO)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H]
|
|
| MCULE-8197236760 |
0.63 |
CC12CCC3([H])C4(CCC(=O)C=C4C(C)CC3([H])C1([H])CCC2(O)C(=O)C)C
|
|
| MCULE-9853941800 |
0.63 |
CC1C2CCC(C)=CC2C(C(C(O)=O)=C)CC1
|
|
| MCULE-1251158415 |
0.63 |
[C@@]12([H])CC[C@](O)(C(=O)C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H]
|
|
| MCULE-9549608104 |
0.63 |
C12C(=O)C=C3C4CC(CCC4(CCC3(C)C1(C)CCC1C(C)(C)C(CCC21C)=O)C)(C)C(=O)O
|
|
| MCULE-5054990207 |
0.63 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(CO)=O
|
|
| MCULE-3741444667 |
0.63 |
C12C3C(C)(CCC(C)(C(O)=O)C3)CCC1(C)C1(C(C(=O)C=2)C2(C)CCC(C(C)(C)C2CC1)O)C
|
|
| MCULE-1412596642 |
0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(C)=O)[H]
|
|
| MCULE-3135517908 |
0.63 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(C)=O
|
|
| MCULE-4676598997 |
0.63 |
C12[C@@]3([H])[C@](C)(CC[C@](C)(C(O)=O)C3)CC[C@@]1(C)[C@]1([C@]([H])(C(=O)C=2)[C@@]2(C)CC[C@@H](C(C)(C)[C@@]2(CC1)[H])O)C
|
|
| MCULE-4728366427 |
0.63 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(CO)=O)[H]
|
|
| MCULE-6305022030 |
0.63 |
C[C@]12CC[C@]3([H])[C@]4(CCC(=O)C=C4[C@@H](C)C[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)C)C
|
|
| MCULE-5582529261 |
0.63 |
C/C(=C/CC/C(/C(O)=O)=C\CC/C(/C)=C/CC/C(/CO)=C/CO)/C
|
|
| MCULE-3390693428 |
0.63 |
C12(C)CCC3C(C)(CCC(=O)C=3)C1(C)CCC1(C)C(CCC21C)C(CO)=O
|
|
| MCULE-8934502311 |
0.63 |
C1(=O)CCC2(C)C3CCC4(C)C(C(CO)=O)CCC4C3(C)CCC2=C1
|
|
| MCULE-6552675485 |
0.63 |
C12(C)CCC(C=C1[C@H](CC1C3C(C)([C@@](CC3)(O)C(C)=O)CCC12)C)=O
|
|
| MCULE-2147959975 |
0.63 |
C1[C@@]2(C)C(CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(O)C(C)=O)=CC(=O)C1
|
|
| MCULE-9848650209 |
0.63 |
O[C@H]1CC[C@@]2(C)[C@H](C1(C)C)CC[C@@]1(C)[C@]3(C)CC[C@@]4(C)CC[C@@](C(=O)O)(C)C[C@H]4C3=CC([C@@H]12)=O
|
|
| MCULE-1390580548 |
0.63 |
C1C[C@@]2(C)C(CC[C@@H]2O)=C(C1=O)C(O)=O
|
|
| MolPort-002-511-069 |
0.63 |
C[C@]12CC(O)C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C(=C)CO
|
|
| MolPort-046-766-234 |
0.63 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)C21)C=O
|
|
| MolPort-006-069-316 |
0.63 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@]3(C[C@H](O)[C@H]21)C=O
|
|
| MolPort-001-742-450 |
0.63 |
C[C@H]1CC[C@H](CC2=C(C)C(=O)C[C@@H]12)C(=C)C(O)=O
|
|
| MolPort-044-559-994 |
0.63 |
C[C@]12CCC3(O)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-035-924-387 |
0.63 |
CC12CCC(=O)C=C1CCC1C3CCC(C(=O)CO)C3(CC(O)C21)C=O
|
|
| MolPort-006-391-847 |
0.63 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@]4(C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O)C=O
|
|
| MolPort-005-934-866 |
0.63 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-008-322-980 |
0.63 |
CC1(C)C(O)CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O
|
|
| MolPort-008-155-613 |
0.63 |
CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4C3CCC12C
|
|
| MolPort-007-980-884 |
0.63 |
CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-023-219-645 |
0.63 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2C(O)=O
|
|
| MolPort-002-524-552 |
0.63 |
CC1(C)C2CC[C@]3(C)C(C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]34C)C(O)=O)[C@@]2(C)CCC1=O
|
|
| MolPort-006-394-855 |
0.63 |
[2H]C([2H])([2H])[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-046-690-137 |
0.63 |
CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-526-228 |
0.63 |
C[C@H]1C[C@H]2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-005-938-470 |
0.63 |
CC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-035-706-224 |
0.63 |
CC1=C2C[C@@H](CC[C@@]2(C)CCC1)C(=C)C(O)=O
|
|
| MolPort-005-932-301 |
0.63 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
|
|
| MolPort-046-690-133 |
0.63 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@](O)(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
| MolPort-044-183-250 |
0.63 |
C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-741-158 |
0.63 |
CC(C)=CCC\C(=C/CC\C(C)=C\CC\C(CO)=C\CO)C(O)=O
|
|
| MolPort-035-681-549 |
0.63 |
C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-001-742-604 |
0.63 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-023-220-689 |
0.63 |
C[C@@H]1CC[C@H]([C@H]2C=C(C)CC[C@@H]12)C(=C)C(O)=O
|
|
| MolPort-023-220-126 |
0.63 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-002-530-358 |
0.63 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MolPort-003-666-072 |
0.63 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-019-940-199 |
0.63 |
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
|
|
| MolPort-027-835-865 |
0.63 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
|
|
| MolPort-046-594-326 |
0.63 |
CC1CCC(C2C=C(C)CCC12)C(=C)C(O)=O
|
|
| MolPort-019-857-808 |
0.63 |
CC12CCC3C(C)(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
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|
| MolPort-039-062-015 |
0.63 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-002-510-661 |
0.63 |
CC(=O)[C@@]1(O)CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
|
|
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0.63 |
CC12CC[C@H]3[C@@H](CCC4=CC(=O)CCC34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MolPort-002-507-130 |
0.63 |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-039-138-901 |
0.63 |
C[C@@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-507-146 |
0.63 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-764-826 |
0.63 |
[2H]C1=C2C([2H])([2H])C[C@@H]3[C@@H]4CC[C@H](C(=O)C([2H])([2H])O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC([2H])([2H])C1=O
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|
| MolPort-027-835-537 |
0.63 |
CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-046-596-275 |
0.63 |
C[C@H]1CC2C3CC[C@](O)(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-000-772-330 |
0.63 |
CC1(C)C(O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O
|
|
| MolPort-046-793-264 |
0.63 |
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@@]12C
|
|
| MolPort-001-785-920 |
0.63 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(O)=O
|
|
| MolPort-000-739-076 |
0.63 |
C[C@H]1CC2C3CC[C@](O)(C(C)=O)C3(C)CCC2C2(C)CCC(=O)C=C12
|
|
| MolPort-021-804-545 |
0.63 |
OC(=O)C\C=C(\CCCCCCCCC=C)C(O)=O
|
|
| MolPort-021-804-594 |
0.63 |
CCCCCCCC\C(=C\CC(O)=O)C(O)=O
|
|
| MolPort-019-931-806 |
0.63 |
CC1CCC2C(=CC3C(O)C(C)(C)CC123)C(O)=O
|
|
| MolPort-042-675-201 |
0.63 |
OC(=O)C\C=C(\CCCCCCC=C)C(O)=O
|
|
| MolPort-038-386-562 |
0.63 |
CC1(C)CCCC2(C3CCC(C)(C=C)C=C3C(=O)CC12)C(O)=O
|
|
| MolPort-001-739-964 |
0.63 |
CCCCCCCCCC\C(=C/CC(O)=O)C(O)=O
|
|
| MolPort-046-689-150 |
0.62 |
[2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
|
|
| MolPort-005-945-021 |
0.62 |
CC\C=C\CC1=C(CCCCCCCC(O)=O)CCC1=O
|
|
| MolPort-002-510-995 |
0.62 |
C[C@]12CC=C3C(CCC4=CC(=O)CC[C@]34C)C1CC[C@]2(O)C#N
|
|
| MolPort-042-675-446 |
0.62 |
CC(CC\C=C(/C)C(O)=O)C1CCC2(C)C1=CCC1C2(C)CCC2C(C)(C)C(O)CC(O)C12C
|
|
| MolPort-035-705-871 |
0.62 |
C[C@]1(CO)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3(CC[C@H]12)C=C4C(O)=O
|
|
| MolPort-039-339-048 |
0.62 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
|
|
| MolPort-035-706-309 |
0.62 |
CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)C(=O)[C@]3(CC[C@@]21C)[C@@]4(C)CC(O)=O
|
|
| MolPort-046-761-814 |
0.62 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=O
|
|
| MolPort-002-512-114 |
0.62 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
|
|
| MolPort-003-892-472 |
0.62 |
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO
|
|
| MolPort-001-739-551 |
0.62 |
CCCCC\C=C/C\C=C/C(O)CC(O)CCCCC(O)=O
|
|
| MolPort-002-526-459 |
0.62 |
C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(O)=O
|
|
| MolPort-023-274-413 |
0.62 |
CC1C(O)CCC2=CC(=O)C(CC12CO)C(C)=C
|
|
| MolPort-046-697-151 |
0.62 |
CC1(C)CC2C=C(C(CC(O)=O)C2(C1)C(=O)CO)C(O)=O
|
|
| MolPort-046-765-694 |
0.62 |
C[C@H]1C[C@H]2C3CC[C@](O)(C(O)=O)[C@@]3(C)C[C@H](O)C2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-044-754-166 |
0.62 |
OC(=O)CCCCCCCCC\C=C\C(O)=O
|
|
| MolPort-003-927-207 |
0.62 |
OC(=O)CCCCCCCC\C=C\C(O)=O
|
|
| MolPort-044-754-165 |
0.62 |
OC(=O)CCCCCCCCCCC\C=C\C(O)=O
|
|
| MolPort-005-944-505 |
0.62 |
C\C(CCC1C(C)=CC(=O)CC1(C)C)=C/CO
|
|
| MolPort-028-610-143 |
0.62 |
OC(=O)CCCCCC\C=C\C(O)=O
|
|
| MolPort-035-706-531 |
0.62 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-009-018-817 |
0.62 |
OC(=O)CCCCCCCC\C=C/C(O)=O
|
|
| MolPort-020-006-184 |
0.62 |
CC(C)(C)C1=CC(C)(O)C=C(C1=O)C(C)(C)C
|
|
| MolPort-042-675-343 |
0.62 |
CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1
|
|
| MolPort-035-705-816 |
0.62 |
CC(C)C1=CC(=O)C2=C(CC[C@H]3C4=C(CC[C@]23C)C(=O)OC4)C1=O
|
|
| MCULE-5049706558 |
0.62 |
C1(CC(O)=O)(C(O)CCC(=O)C1)C/C=C(\C)/CC(/C=C(\C)/C)=O
|
|
| MCULE-6511007969 |
0.62 |
C12C(O)C(C)(C)CC31C(C)CCC3C(C(O)=O)=C2
|
|
| MCULE-3243112791 |
0.62 |
C(/CC(=O)O)=C(\CCCCCCC=C)/C(=O)O
|
|
| MCULE-1249084285 |
0.62 |
C(/CC(=O)O)=C(\CCCCCCCCC=C)/C(=O)O
|
|
| MCULE-6259433997 |
0.62 |
CCCCCCCC/C(/C(=O)O)=C/CC(=O)O
|
|
| MCULE-4187073986 |
0.62 |
CCCCCCCCCC/C(/C(=O)O)=C\CC(=O)O
|
|
| MCULE-5305214615 |
0.62 |
CC(CCC/C=C/C1CC(O)CC1C(O)/C=C/C(=O)O)=O
|
|
| MCULE-3603972230 |
0.62 |
C1(CCC(=CC2CCCO2)C1=O)=CC1CCCO1
|
|
| MCULE-5926783574 |
0.62 |
C1C(O)C2(C)C3CC=C4C(C(CC/C=C(\C)/C(=O)O)C)CCC4(C)C3(C)CCC2C(C)(C)C1O
|
|
| MCULE-8394821836 |
0.62 |
C12(C)C(=O)C=C(O)C(CC1)C2(C)C
|
|
| MCULE-6520929159 |
0.62 |
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@]([H])(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-2410702763 |
0.62 |
C(O)(=O)CCCCC(O)CC(/C=C\C/C=C\CCCCC)O
|
|
| MCULE-3560182453 |
0.62 |
C1C[C@]2([C@]3([H])CC[C@H]4C(C(=O)O)=C[C@@]3(C4)CC[C@]2([H])[C@@](C)(CO)C1)C
|
|
| MCULE-8869963478 |
0.62 |
C1(=O)CCC2(C)C3C(O)CC4(C)C(C(CO)=O)CCC4C3CCC2=C1
|
|
| MCULE-2422100047 |
0.62 |
C1(C/C=C/CC)=C(CCC1=O)CCCCCCCC(=O)O
|
|
| MCULE-1874567277 |
0.62 |
[C@@]12(C)[C@@H](C(CO)=O)CC[C@@]1([H])[C@]1([C@]([H])([C@@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-1479199763 |
0.62 |
C1(=O)C(C)=CCC(C(C)CC(=O)O)(C(C(C)C)=O)C1
|
|
| MCULE-4929710192 |
0.62 |
C[C@@]1(CCC[C@@]2(C)[C@@]3([H])[C@]4(C[C@](CC3)([H])C(C(=O)O)=C4)CC[C@]12[H])CO
|
|
| MCULE-4113416417 |
0.62 |
[C@]12(C)C[C@H](O)C3[C@@]([H])(CCC4=CC(=O)C=C[C@]34C)C1CC[C@]2(O)C(O)=O
|
|
| MCULE-9478310264 |
0.62 |
C1=C[C@]2(C(=CC1=O)CCC1[C@]3([H])CC[C@](O)(C(=O)O)[C@]3(CC([C@]21[H])=O)C)C
|
|
| MCULE-8228429125 |
0.62 |
C1C2(C(C=C(C(=O)O)C2CC(O)=O)CC1(C)C)C(=O)CO
|
|
| MCULE-5860324516 |
0.62 |
C1=C[C@]2(C(=CC1=O)CC[C@@]1([H])[C@]3([H])CC[C@](O)(C(O)=O)[C@@]3(C)C[C@@H]([C@]21[H])O)C
|
|
| MCULE-4162330770 |
0.62 |
C1CC2=CC(=O)C(C(=C)C)CC2(CO)C(C)C1O
|
|
| MCULE-7929696567 |
0.62 |
C1C[C@]2(C)C3C(=O)C=C4[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O
|
|
| MCULE-9564533694 |
0.62 |
OC(=O)/C=C/CCCCCCCCCCCC(=O)O
|
|
| MCULE-7256161983 |
0.62 |
C1(CC(C)(C)C(C(=C1)C)CC/C(/C)=C/CO)=O
|
|
| MCULE-1261827700 |
0.62 |
OC(=O)/C=C/CCCCCCCCCC(=O)O
|
|
| MCULE-5765051698 |
0.62 |
C(CCCC=CC(O)=O)CCCCC(O)=O
|
|
| MCULE-6477809398 |
0.62 |
C1C[C@]2(C)C3C(=O)C=C(C(C)C)C(=O)C=3CC[C@@]2([H])C2COC(=O)C1=2
|
|
| MCULE-6105448410 |
0.62 |
C1CC2C3C(C)([H])C(C(OC)=O)=C(C(OC)=O)C(C=3C1C2)(C)[H]
|
|
| MCULE-1187877446 |
0.62 |
C1(C)C2(C(=C(C(=O)OC)C2(C)C=1C)C(OC)=O)C
|
|
| MCULE-4127784247 |
0.62 |
C1C(=O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)[C@@]5([H])CC(C)=C(CO)C(=O)O5)CC[C@@]4([H])[C@]3([H])[C@H](O)C=C2CC=1
|
|
| MCULE-1661135480 |
0.62 |
C1C[C@]2(C)[C@@]3(O)CC[C@]4(C)[C@@]([H])([C@@H](/C=C/[C@H](C)C(C)C)C)CC[C@@]4([H])C3=CC(=O)[C@@]2(O)C[C@H]1O
|
|
| MCULE-2400907851 |
0.62 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
|
|
| MCULE-1153477483 |
0.62 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)(C(=O)CO)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-8877595522 |
0.62 |
[C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-4914143446 |
0.62 |
C1C[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](O)C(O)(C)C)C)CC[C@@]4(C)C=3C(=O)C[C@@]2([H])C(C)(C)C1=O
|
|
| MCULE-9765892541 |
0.62 |
C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-2705141143 |
0.62 |
[C@@]12(C)[C@@H](C)CCCC1=CC[C@H](C2)C(=C)C(O)=O
|
|
| MCULE-3473010637 |
0.62 |
O=C1CCC2(C)C3C(O)CC4(C)CCCC4C3CCC2=C1
|
|
| MCULE-6464655857 |
0.62 |
C1C[C@@]2([H])[C@H](C)CC[C@@]([H])([C@@H](C)C(=O)O)[C@@]2([H])C(=O)C=1C
|
|
| MCULE-8721851502 |
0.62 |
[C@@]12(C)C[C@@H](O)[C@@H]([C@](C)(CCC(C)(O)C=C)[C@@]1([H])CC(=O)C=C2C)C
|
|
| MCULE-5903352413 |
0.62 |
CCCCCC1CC(=CC(=O)C1)O
|
|
| MCULE-8031195256 |
0.62 |
[C@]12(C(=C[C@@H](O)CC1)[C@@H](C[C@@]1([C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2([H])[C@H](C)CCC(O)=O)C)[H])O)C
|
|
| MCULE-1300552918 |
0.62 |
C1(C(OC)=O)C2C(C3CC2C=C3)C=1C(OC)=O
|
|
| MCULE-7939545317 |
0.62 |
O=C1C=C[C@@]2([C@]3(C(=O)C[C@@]4(C)[C@](C[C@@H]([C@@]4(C(=O)CO)O)C)([H])[C@]3([H])CCC2=C1)[H])C
|
|
| MCULE-4625091681 |
0.62 |
C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1=O)(C)[C@@](O)(C(=O)CO)CC3)CC2
|
|
| MCULE-4729751323 |
0.62 |
C[C@@H]1[C@@](C(CO)=O)(O)[C@]2(C)[C@H]([C@H]3[C@H](C(C2)=O)[C@]2(C)C(=CC(C=C2)=O)CC3)C1
|
|
| MCULE-2907287296 |
0.62 |
C1C(CC2C1(C(C(C(=O)O)=C2)CC(O)=O)C(=O)C)(C)C
|
|
| MCULE-9427838644 |
0.62 |
C12(C)CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-3531952070 |
0.62 |
C1CC2(C)C3CCC4(C)C(C(C(=O)/C=C(\C)/C(O)(C)C)C)CCC4C=3CCC2(O)C(C)(C)C1O
|
|
| MCULE-2603291254 |
0.62 |
[C@]12(C)CC(=O)[C@]3([C@@]([H])(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
|
|
| MolPort-046-687-422 |
0.62 |
C[C@@H](CC(=O)C=C(C)C)[C@H]1C[C@H](O)[C@@](C)(O)C=C1
|
|
| MolPort-035-706-503 |
0.62 |
C[C@@H]([C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4CC=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1
|
|
| MolPort-039-052-523 |
0.62 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3(O)CC[C@]12C
|
|
| MolPort-002-507-128 |
0.62 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-001-742-389 |
0.62 |
C[C@H]1CCCC2=CC[C@H](C[C@]12C)C(=C)C(O)=O
|
|
| MolPort-001-742-062 |
0.62 |
CC1=CC(=O)C[C@]2(C)CC[C@H](CC12)C(=C)C(O)=O
|
|
| MolPort-002-516-984 |
0.62 |
C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@@]1(C)CCC(C)(O)C=C
|
|
| MolPort-002-530-019 |
0.62 |
C[C@H]1[C@H](O)C[C@]2(C)[C@H](CC(=O)C=C2C)[C@]1(C)CCC(C)(O)C=C
|
|
| MolPort-002-709-805 |
0.62 |
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-790-505 |
0.62 |
C[C@H]1CC(=O)C=C2CC[C@H](C[C@]12C)C(=C)C(O)=O
|
|
| MolPort-023-332-906 |
0.62 |
CCCCCC1CC(O)=CC(=O)C1
|
|
| MolPort-035-785-432 |
0.62 |
[Na+].CCCCCCCCCCCCCCCCCC\C(=C/C([O-])=O)C(O)=O
|
|
| MolPort-038-934-350 |
0.62 |
[Na+].[Na+].CCCCCCCCCCCCCCCCCC\C(=C/C([O-])=O)C([O-])=O
|
|
| MolPort-035-706-403 |
0.62 |
CC1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)CC3=CC(=O)[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@H]21
|
|
| MolPort-035-706-203 |
0.62 |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2CC=C(C)C(=O)[C@H]12)C(O)=O
|
|
| MolPort-009-014-456 |
0.62 |
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-766-227 |
0.62 |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@]1(O)C(=O)CO
|
|
| MolPort-046-153-067 |
0.62 |
CC(C1CCC2C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1(O)CC3)C(=O)\C=C(/C)C(C)(C)O
|
|
| MolPort-046-690-441 |
0.62 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-001-740-041 |
0.62 |
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-001-742-387 |
0.62 |
CC1(C)CC2C1[C@@H](O)CC(=CCCC2=C)C(O)=O
|
|
| MolPort-039-338-963 |
0.62 |
C[C@H](CC(=O)C=C(C)C)[C@H]1CC[C@@]2(C)[C@@H]3[C@@H](O)C=C4[C@@H](CC[C@H](O)C4(C)C)[C@@]3(CC[C@]12C)C=O
|
|
| MolPort-000-730-361 |
0.62 |
CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-046-697-216 |
0.62 |
CC(=O)C12CC(C)(C)CC1C=C(C2CC(O)=O)C(O)=O
|
|
| MolPort-006-113-124 |
0.62 |
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-046-764-997 |
0.62 |
[2H]C1=C[C@@]2(C)C(=C([2H])C1=O)C([2H])([2H])C[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C([2H])([2H])C(=O)[C@]21[2H]
|
|
| MolPort-046-196-989 |
0.62 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)CC(=O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-039-338-222 |
0.62 |
C[C@]1(CCC[C@]2(C)[C@@H]1[C@@H](O)C[C@@]13C[C@@H](CC=C21)C(=C)C3=O)C(O)=O
|
|
| MolPort-001-832-305 |
0.62 |
CC12CC(=O)C3C(CCC4=CC(=O)C=CC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-046-764-827 |
0.62 |
[2H]C1=C[C@]2(C)[C@@H]3[C@@H](CCC2=C([2H])C1=O)[C@@H]1CC[C@](O)(C(=O)C([2H])([2H])O)[C@@]1(C)C([2H])([2H])C3=O
|
|
| MolPort-046-693-679 |
0.61 |
COC(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)C=CC(=O)C(C)=C2C1=O
|
|
| MolPort-046-158-534 |
0.61 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-002-524-485 |
0.61 |
CC(C)(O)CC[C@@H](O)[C@](C)(O)C1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-689-970 |
0.61 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-004-786-165 |
0.61 |
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](O)C=C1C[C@@H](O)CC[C@]31C
|
|
| MolPort-035-706-299 |
0.61 |
CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
|
|
| MolPort-046-683-739 |
0.61 |
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C([2H])([2H])[2H]
|
|
| MolPort-046-596-344 |
0.61 |
C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34CO)C1CCC2O
|
|
| MolPort-001-740-962 |
0.61 |
CCC(O)C(O)\C=C/C\C=C/CCCCCCCCC(O)=O
|
|
| MolPort-023-298-994 |
0.61 |
CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
|
|
| MolPort-023-299-005 |
0.61 |
CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)C(C)C
|
|
| MolPort-006-394-318 |
0.61 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-046-693-184 |
0.61 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(O)=O
|
|
| MolPort-046-761-514 |
0.61 |
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C([2H])([2H])[2H]
|
|
| MolPort-002-510-183 |
0.61 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CCC2=O
|
|
| MolPort-002-513-837 |
0.61 |
CC(C)C1=CC23CCC4[C@](C)(CCC[C@@]4(C)C(O)=O)C2CC1C1C3C(=O)C=CC1=O
|
|
| MolPort-027-720-808 |
0.61 |
CCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-046-761-519 |
0.61 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-006-112-202 |
0.61 |
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
|
|
| MolPort-030-084-563 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CCC2=O
|
|
| MolPort-002-510-704 |
0.61 |
C[C@]12CCC3[C@@H](CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2O
|
|
| MolPort-002-526-056 |
0.61 |
CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(CO)C3CC[C@]12C
|
|
| MolPort-046-690-063 |
0.61 |
[2H]C([2H])(CCC(C)CO)[C@@H](C)[C@@H]1C([2H])([2H])C[C@@H]2[C@@H]3[C@@H](CC[C@@]12C)[C@]1(C)CC[C@H](O)CC1=CC3=O
|
|
| MolPort-004-786-162 |
0.61 |
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@@H](O)C=C1C[C@@H](O)CC[C@]31C
|
|
| MolPort-044-649-693 |
0.61 |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=C(O)C(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
|
|
| MolPort-044-561-334 |
0.61 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O
|
|
| MolPort-002-145-995 |
0.61 |
CC(C)CC(C1=C(O)CCCC1=O)C1=C(O)CCCC1=O
|
|
| MolPort-035-394-906 |
0.61 |
CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC(O)C2(O)C(=O)CO
|
|
| MolPort-002-991-338 |
0.61 |
CC(C1=C(O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
|
|
| MolPort-003-850-491 |
0.61 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
|
|
| MolPort-001-795-358 |
0.61 |
CC1(C)CC(O)=C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1
|
|
| MolPort-046-765-127 |
0.61 |
C[C@]12C[C@H](O)C3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)C(O)=O
|
|
| MolPort-023-330-944 |
0.61 |
C[C@]12CC(O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
|
|
| MolPort-001-600-015 |
0.61 |
CCC(C1=C(O)CC(C)(C)CC1=O)C1=C(O)CC(C)(C)CC1=O
|
|
| MolPort-046-765-424 |
0.61 |
[2H]C1([2H])C([2H])(O)[C@H]2[C@@H](CCC3=CC(=O)C=CC23C)[C@@H]2C[C@@H](O)[C@](O)(C(=O)CO)[C@@]12C
|
|
| MolPort-009-018-963 |
0.61 |
CCCCCC1=CC(=O)C([C@@H]2C=C(C)CC[C@H]2C(C)=C)=C(O)C1=O
|
|
| MolPort-009-018-224 |
0.61 |
CCCCCC(O)\C=C\[C@H]1C=CC(=O)C1CCCCCCC(=O)OCC
|
|
| MolPort-005-944-829 |
0.61 |
C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@@]1(C)CC\C(C=O)=C/C(O)=O
|
|
| MolPort-046-761-808 |
0.61 |
[2H]C1([2H])C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1([2H])O
|
|
| MolPort-046-765-461 |
0.61 |
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CCC(=O)[C@@]2(C)O
|
|
| MolPort-002-508-334 |
0.61 |
C[C@]1(O)CCC2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3CC[C@]12C
|
|
| MolPort-046-765-469 |
0.61 |
C[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CCC(=O)[C@]3(C)O)[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-002-506-910 |
0.61 |
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
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|
| MolPort-001-742-412 |
0.61 |
CC(CC[C@@]1(C)[C@H](C)CC[C@]2(C)C1CC(=O)C=C2C)CC(O)=O
|
|
| MolPort-005-944-708 |
0.61 |
C[C@]12CCC[C@](C)(C1CCC1=CC(=O)CCC21)C(O)=O
|
|
| MolPort-005-944-959 |
0.61 |
CC1(C)C(=O)CCC2C1=CCC1CC(C)(C=C)C(O)CC21C
|
|
| MolPort-006-668-526 |
0.61 |
CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C\C(O)=O
|
|
| MolPort-001-740-352 |
0.61 |
C[C@@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MolPort-001-740-351 |
0.61 |
CC(CCC1=C(C)C(=O)CC2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MolPort-038-386-585 |
0.61 |
OC(CCCCCCCC(O)=O)\C=C\C(O)=O
|
|
| MolPort-039-338-398 |
0.61 |
C[C@]12CCC[C@](C)([C@@H]1CCC1=CC(=O)CC[C@H]21)C(O)=O
|
|
| MolPort-001-740-574 |
0.61 |
CC1CCC2(C)C(CC(=O)C=C2C)C1(C)CC\C(C)=C/C(O)=O
|
|
| MolPort-046-693-081 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@H]2O
|
|
| MolPort-001-742-304 |
0.61 |
CC(CCC1(C)C(C)CCC2(C)C1CC(=O)C=C2C)CC(O)=O
|
|
| MolPort-038-386-656 |
0.61 |
CC1C(CCC(O)=O)C2CCCCC2=CC1=O
|
|
| MolPort-001-741-118 |
0.61 |
C[C@H](CC[C@H]1C(C)=CC(=O)C2C(C)(C)CCC[C@]12C)CC(O)=O
|
|
| MCULE-5347536493 |
0.61 |
C1(CC2(C(CCC3C2CCC2(C3CCC2O)C)=CC1=O)C)=C([O-])C(F)(F)F
|
|
| MCULE-1945667981 |
0.61 |
C12[C@@](C)(CC[C@@]([H])([C@H](C)C(OC)=O)C1=O)C=CC(=O)C=2C
|
|
| MCULE-1100298898 |
0.61 |
C12=CC(=O)[C@]3([C@](C)(C[C@H]([C@@H](O)C3)O)C1CC[C@]1(C)C(CC[C@@]21O)[C@@](C)(O)[C@H](O)CCC(C)(C)O)O
|
|
| MCULE-9780635677 |
0.61 |
[C@@H]1(O)CC2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@H](C)CC[C@@H](C(C)C)CC)CC3)C(=O)C=2
|
|
| MCULE-4121463357 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@H](C)C(C)C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@H]1O
|
|
| MCULE-3559356203 |
0.61 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4C3CCC2=C1)C(C)=O
|
|
| MCULE-4786407254 |
0.61 |
C1CC2=C(C3(CCC(O)C(C(=O)O)C31)C)C(CC1(C(CCC21)C(O)C)C)O
|
|
| MCULE-5797410500 |
0.61 |
O=C1CCC2(C)C3C(O)CC4(C)C(O)(CCC4C3CCC2=C1)C(C)=O
|
|
| MCULE-1585586063 |
0.61 |
C12C(CCC(=O)C=1)CC(C(O)=O)C2
|
|
| MCULE-3353799719 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34CO)C1CC[C@@H]2C(C)=O
|
|
| MCULE-8464537126 |
0.61 |
CC12C(O)CCCC1=CC(=O)CC2
|
|
| MCULE-8297407788 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@H]1O
|
|
| MCULE-4464721001 |
0.61 |
C12C(=O)C=CC(=O)C=1C1C3C=CC3C2C=C1
|
|
| MCULE-9024219601 |
0.61 |
C1C2(CO)C(CCC3C2CCC2(C)C3CCC2=O)=CC(=O)C1
|
|
| MCULE-8008111833 |
0.61 |
[C@]12(CO)CCC(C=C1CC[C@]1([H])C2CC[C@]2(C1CCC2=O)C)=O
|
|
| MCULE-3516804753 |
0.61 |
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@H](C(C(O)O)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-9301209033 |
0.61 |
[C@]12(CO)CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CCC(=O)[C@@]3(C)CC[C@]21[H]
|
|
| MCULE-6336425947 |
0.61 |
C1(=O)C=C2[C@](C)(C=C1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@H]1O)(C)[C@@](O)(C(=O)CO)[C@@H](O)C3)CC2
|
|
| MCULE-7436540606 |
0.61 |
C1(C(=O)CC(CC=1O)(C)C)CC1C(=O)CC(CC=1O)(C)C
|
|
| MCULE-4442751651 |
0.61 |
C1=CC2C(O)C1C1C(=O)C=CC12
|
|
| MCULE-1563230915 |
0.61 |
OCC([C@]1([C@@](C[C@@]2([C@@]1(C[C@@]([C@]1([C@]2(CCC2=CC(C=C[C@]12C)=O)[H])[H])(O)[H])C)[H])(O)[H])O)=O
|
|
| MCULE-3585820925 |
0.61 |
C1(C(CCCC=1O)=O)C(CC(C)C)C1C(CCCC=1O)=O
|
|
| MCULE-9490867225 |
0.61 |
C12(C)C=CC(C=C1CCC1([H])C2([H])CCC2(C1([H])CCC2(C)O)C)=O
|
|
| MCULE-1455068472 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CCC(=O)C=C3CC[C@@]2([H])[C@](C)(C(=O)O)C1
|
|
| MCULE-5773428311 |
0.61 |
C1C[C@]2(C)C3C(CCC2[C@](C)(C(O)=O)C1)=CC(=O)CC3
|
|
| MCULE-1812806265 |
0.61 |
[C@]12(C)C=CC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CC[C@]2(C)O)C)=O
|
|
| MCULE-9209606443 |
0.61 |
C1CC2C(CCC(=O)O)C(C)C(=O)C=C2CC1
|
|
| MCULE-2363731744 |
0.61 |
C1(C)(C(CCC2(C)C1CC(=O)C=C2C)C)CC/C(/C)=C/C(O)=O
|
|
| MCULE-1941485534 |
0.61 |
C12(C)C=CC(C=C1CCC1C2CCC2(C1CCC2C(C)CO)C)=O
|
|
| MCULE-2605863241 |
0.61 |
C1C[C@@]2(C)C(C(C=C([C@@H]2CC[C@H](C)CC(O)=O)C)=O)C(C1)(C)C
|
|
| MCULE-4819154807 |
0.61 |
C1C[C@@]2(C)C(CC(C(=C2CCC(C)CC(O)=O)C)=O)C(C1)(C)C
|
|
| MCULE-2855337345 |
0.61 |
C[C@@]12[C@](O)(C)CC[C@H]1[C@@H]1CCC3[C@@](C)([C@H]1CC2)C=CC(=O)C=3
|
|
| MCULE-2653535248 |
0.61 |
C1(CC2C(C(=C1)C)(CCC(C2(CCC(C)CC(=O)O)C)C)C)=O
|
|
| MCULE-3188056951 |
0.61 |
C1(=O)CC2C(C)(CCC(C2(C)CC/C(/C)=C\C(=O)O)C)C(C)=C1
|
|
| MCULE-5078166082 |
0.61 |
C1C[C@@]2([H])[C@@](C)(CC[C@H]([C@@]2(CC/C(/C=O)=C\C(=O)O)C)C)C(C)=C1
|
|
| MCULE-4576776987 |
0.61 |
C1(C2C3C4CC4(C4CCC(=C4CC3(CO)CCC2(C(C1)O)C)C(O)=O)C)C(C)C
|
|
| MCULE-3358949662 |
0.61 |
O(C(=O)C)C(C)(C)/C=C/C(=O)[C@@](O)(C)[C@@]1([H])[C@H](O)C[C@]2(C)[C@]1(C)CC(=O)[C@@]1(C)[C@]3([H])C=C(O)C(=O)C(C)(C)C3=CC[C@]12[H]
|
|
| MCULE-5701652206 |
0.61 |
C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
|
|
| MCULE-3069989292 |
0.61 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C=O)C1CC[C@]2([H])[C@H](C)CCCC(C)C
|
|
| MCULE-9656399480 |
0.61 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C(O)C1=O
|
|
| MCULE-4586192863 |
0.61 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)=O
|
|
| MCULE-3985606919 |
0.61 |
[C@]12(CCC(=O)O)C[C@@]31CC[C@]1(C)[C@@]([H])([C@@H](CC/C=C(\C(=O)O)/C)C)CC[C@@]1(C)[C@]3([H])CC[C@@]2([H])C(=C)C
|
|
| MCULE-4823405948 |
0.61 |
[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(CC[C@]21C)=O)=O
|
|
| MCULE-6793463685 |
0.61 |
O=C1CCC2(C)C(=C1)CCC1C(O)CCC(O)C21
|
|
| MCULE-2506206785 |
0.61 |
[C@@]12(C)C(=O)CCC1[C@]1(C([C@H](O)C2)[C@@]2(C)CCC(C=C2CC1)=O)[H]
|
|
| MCULE-7472546811 |
0.61 |
C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-]
|
|
| MCULE-8807729080 |
0.61 |
[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(=O)CC[C@]21C)=O
|
|
| MCULE-8925145429 |
0.61 |
O=C1CC[C@@]2([C@]3(CC[C@@]4(C(=O)CC[C@@]4([H])[C@]3([H])CCC2=C1O)C)[H])C
|
|
| MCULE-2665091779 |
0.61 |
C12(CO)CCC3(C([H])(CCC4=CC(=O)CCC34C)C1([H])CCC2C(CO)=O)[H]
|
|
| MCULE-1658645050 |
0.61 |
C1CC2=CC([C@](O)(C[C@]2(C)[C@H]([C@@H]1O)C)C(=C)C)=O
|
|
| MCULE-2084098314 |
0.61 |
O=C(/C=C/CCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@H](C[C@H](CCCC)C)O)O
|
|
| MCULE-5208181398 |
0.61 |
C1(C(=C(O)C(=O)C23C1C(C)C=CC2CCC(=O)C3)C)=O
|
|
| MCULE-9661805986 |
0.61 |
C1CC2[C@]([C@H]([C@@H]1O)C)(C)C=C(C(C)=C)C(=O)C=2
|
|
| MCULE-1613021718 |
0.61 |
[K+].C1(CC2(C(CCC3C2CCC2(C3CCC2O)C)=CC1=O)C)=C([O-])C(F)(F)F
|
|
| MolPort-039-338-124 |
0.61 |
C[C@H](CC(=O)CC(C)C(O)=O)[C@H]1CC(O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3
|
|
| MolPort-035-705-880 |
0.61 |
CC1(C)[C@H]2C[C@@H](O)[C@@]34[C@H](O)[C@@H](CC[C@H]3[C@]2(C)C=CC1=O)C(=C)C4=O
|
|
| MolPort-046-697-317 |
0.61 |
CC(C)C1CC(O)C2(C)CCC3(CO)CC4=C(CCC4C4(C)CC4C3C12)C(O)=O
|
|
| MolPort-020-005-954 |
0.61 |
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
|
|
| MolPort-005-944-985 |
0.61 |
CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C
|
|
| MolPort-046-689-246 |
0.61 |
C[C@]12C[C@H](O)[C@H]3[C@@H](C=CC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-003-940-126 |
0.61 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
|
|
| MolPort-046-765-329 |
0.61 |
C[C@]12CC[C@@H]3[C@@H](CCC4=C(O)C(=O)CC[C@H]34)[C@H]1CC[C@@H]2O
|
|
| MolPort-027-847-264 |
0.61 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CC[C@]4(C=O)C3CC[C@]12C
|
|
| MolPort-044-183-126 |
0.61 |
CCCCCC(=O)CC[C@@H]1[C@@H](C\C=C/CCCC(O)=O)C=CC1=O
|
|
| MolPort-046-765-405 |
0.61 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
|
|
| MolPort-039-138-850 |
0.61 |
CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-039-138-854 |
0.61 |
CCCCC(C)(C)[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1C\C=C/CCCC(O)=O
|
|
| MolPort-019-994-032 |
0.61 |
C[C@]12CC[C@H]3[C@@H](CCC4=C(O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
|
|
| MolPort-003-892-478 |
0.61 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@H](C(=O)CO)[C@@]3(CO)CC[C@H]21
|
|
| MolPort-039-338-206 |
0.61 |
C[C@H](CC\C=C(\C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H](C(C)=C)[C@@]4(CCC(O)=O)C[C@@]34CC[C@]12C
|
|
| MolPort-002-519-758 |
0.61 |
CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=O)C3CC[C@]12C
|
|
| MolPort-002-526-521 |
0.61 |
C[C@]12C[C@@H](O)C3[C@@H](CCC4=CC(=O)CC[C@]34C)C1CCC2=O
|
|
| MolPort-046-589-601 |
0.61 |
CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C
|
|
| MolPort-001-740-023 |
0.61 |
C[C@H]1[C@H](O)CCC2=CC(=O)[C@](O)(C[C@]12C)C(C)=C
|
|
| MolPort-046-765-572 |
0.61 |
C[C@@H]1C[C@H]2[C@H]3CC[C@@](O)(C(=O)C=O)[C@@]3(C)CC(=O)[C@H]2[C@@]2(C)C=CC(=O)C=C12
|
|
| MolPort-028-610-018 |
0.61 |
CC1C=CC2CCC(=O)CC22C1C(=O)C(C)=C(O)C2=O
|
|
| MolPort-006-394-788 |
0.61 |
[2H]C([2H])([2H])[C@@H](CCCC)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O
|
|
| MolPort-023-274-322 |
0.61 |
C[C@H]1[C@H](O)CCC2=CC(=O)C(=C[C@]12C)C(C)=C
|
|
| MolPort-006-823-932 |
0.61 |
CCCC[C@H](C)C[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCC\C=C\C(O)=O
|
|
| MolPort-039-338-377 |
0.61 |
CC1=C(C(O)=O)C(C)(C)C[C@H](O)C1
|
|
| MolPort-002-911-075 |
0.61 |
[K+].CC12CCC3C(CCC4=CC(=O)\C(CC34C)=C(\[O-])C(F)(F)F)C1CCC2O
|
|
| MolPort-006-069-086 |
0.61 |
CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
|
|
| MolPort-042-665-810 |
0.60 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C=C)[C@H]3CC[C@]12C
|
|
| MolPort-009-019-192 |
0.60 |
CCCCC\C=C/C\C=C/CC\C=C/CCCC(O)=O
|
|
| MolPort-001-794-637 |
0.60 |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-039-338-226 |
0.60 |
C[C@]1(CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@](O)(CC=C21)C(=C)C3=O)C(O)=O
|
|
| MolPort-006-393-332 |
0.60 |
[2H]C1([2H])[C@]([2H])(O)C2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)C2CCC(O)(C(=O)CO)[C@@]12C
|
|
| MolPort-046-766-226 |
0.60 |
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3CC[C@@](O)(C3C[C@@H](O)C21)C(=O)CO
|
|
| MolPort-019-939-199 |
0.60 |
C[C@]12C[C@H](O)[C@H]3[C@@](C)(CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(O)=O
|
|
| MolPort-019-949-553 |
0.60 |
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-023-279-448 |
0.60 |
C[C@@H]1CC2C3CCC4=CC(=O)CCC4(C)C3[C@@H](O)CC2(C)[C@@]1(O)C(=O)CO
|
|
| MolPort-000-713-768 |
0.60 |
CC12C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(=O)CO
|
|
| MolPort-023-330-852 |
0.60 |
C[C@]12CC[C@H]3[C@@H](C=C[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1C2=O
|
|
| MolPort-006-113-487 |
0.60 |
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12
|
|
| MolPort-006-131-902 |
0.60 |
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
|
|
| MolPort-003-657-348 |
0.60 |
CC12CCC3C(C1CCC2=O)C(=O)C=C1CC(O)CCC31C
|
|
| MolPort-044-637-540 |
0.60 |
CC1CCC2C(=CC3(O)C(O)C(C)(C)CC123)C(O)=O
|
|
| MolPort-046-765-476 |
0.60 |
[2H]C([2H])([2H])C([2H])(CCC[C@@H](C)[C@H]1CCC2C3[C@H](O)CC4=CC(=O)CC[C@]4(C)C3C[C@H](O)[C@]12C)C([2H])([2H])[2H]
|
|
| MolPort-002-157-619 |
0.60 |
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO
|
|
| MolPort-005-944-289 |
0.60 |
CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1CO
|
|
| MolPort-005-934-304 |
0.60 |
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
|
|
| MolPort-046-764-570 |
0.60 |
C[C@]12CC[C@@H]3[C@H]([C@H]1CCC2=O)C(=O)C=C1C[C@@H](O)CC[C@]31C
|
|
| MolPort-046-683-789 |
0.60 |
[2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]2CC[C@](O)(C(=O)CO)[C@@]12C
|
|
| MolPort-046-196-704 |
0.60 |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
|
|
| MolPort-001-900-419 |
0.60 |
COC(=O)CC1=C(C)C(=O)C=C2C(C)(C)CCCC12C
|
|
| MolPort-005-945-648 |
0.60 |
CC(C)[C@@H]1[C@@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
|
|
| MolPort-029-942-945 |
0.60 |
C\C(CCC1C(=C)CCC2C1(C)CCCC2(C)C(O)=O)=C/C(O)=O
|
|
| MolPort-002-528-276 |
0.60 |
CCCCC[C@H](O)\C=C\[C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-035-705-806 |
0.60 |
COC(=O)\C=C(/C)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1CCC=C2C(O)=O
|
|
| MolPort-035-706-198 |
0.60 |
CC(C)[C@@H]1[C@H](O)C[C@@H](C)[C@@H]2CC(=O)C(C)=C[C@H]12
|
|
| MolPort-019-937-181 |
0.60 |
CC1CCC2C(=CC(=O)CC2(C)C)C1(C)CC\C(C)=C/C(O)=O
|
|
| MolPort-001-741-862 |
0.60 |
CC1CCC2C(C)(CCC(O)C2(C)C=O)C1CC\C(C)=C/C(O)=O
|
|
| MolPort-001-740-674 |
0.60 |
C[C@@]12CC[C@H](C[C@H]1[C@H](CCC1(O)[C@@H]3C[C@@H](CC[C@@]3(C)C=CC1=O)C(=C)C(O)=O)C(=O)C=C2)C(=C)C(O)=O
|
|
| MolPort-004-769-059 |
0.60 |
OC(=O)C1CC2C=CC1C2=O
|
|
| MolPort-039-138-851 |
0.60 |
CCCCC[C@H](O)\C=C\[C@H]1CC[C@H](O)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-039-138-852 |
0.60 |
CCCCC[C@H](O)\C=C\[C@H]1CC[C@@H](O)[C@@H]1CCCCCCC(O)=O
|
|
| MolPort-005-945-123 |
0.60 |
COC(=O)\C=C(/C)CC[C@]1(C)[C@@H](C)CC[C@@]2(C)[C@H]1CCC=C2C(O)=O
|
|
| MolPort-046-765-571 |
0.60 |
C[C@]12C[C@H](O)[C@@H]3[C@@H](C=CC4=CC(=O)C=C[C@]34C)[C@H]1CC[C@@]2(O)C(=O)C=O
|
|
| MolPort-028-750-137 |
0.60 |
C[C@]12CC[C@H]3[C@@H](CC4(CO4)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O
|
|
| MCULE-8575606113 |
0.60 |
C1(=O)C=C2C(C)(CC/C(/C)=C\C(=O)O)C(C)CCC2C(C)(C)C1
|
|
| MCULE-1873537798 |
0.60 |
C([C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O)=C[C@H](CCCCC)O
|
|
| MCULE-1323295889 |
0.60 |
C1C[C@@H](C(C(O)=O)=C)C[C@@]2([H])C(O)(CC[C@@]3([H])[C@]4([H])C[C@H](C(=C)C(=O)O)CC[C@@]4(C)C=CC3=O)C(=O)C=C[C@@]21C
|
|
| MCULE-7424984034 |
0.60 |
C1C[C@]2([H])[C@@](C)(CC/C(=C/C(OC)=O)/C)[C@H](C)CC[C@@]2(C)C(C(=O)O)=C1
|
|
| MCULE-1831576109 |
0.60 |
C1[C@@]2(C)C(C3(CO3)C[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CCC2=O)=CC(=O)C=1
|
|
| MCULE-6199732071 |
0.60 |
C1(=O)C[C@@]2([H])[C@H](C)C[C@@H](O)[C@@H](C(C)C)[C@@]2([H])C=C1C
|
|
| MCULE-9679346580 |
0.60 |
C(O)(C1C2C(=C(C)C)C(C=C2)C1C(O)=O)=O
|
|
| MCULE-9373167163 |
0.60 |
C12C3C(C4C=CC1C2C=C4)C1C3C2C=CC1C(=C2C(OC)=O)C(OC)=O
|
|
| MCULE-1785744667 |
0.60 |
C1(C[C@@]2([H])[C@H](C)C[C@H](O)[C@H]([C@@]2([H])C=C1C)C(C)C)=O
|
|
| MCULE-9050797198 |
0.60 |
C12C(O)CC3C=CC(C=C1C(OC)=O)C32
|
|
| MCULE-2593667564 |
0.60 |
C1C=C(C(=O)C[C@@H]2[C@@H](C(C1)=C)C[C@]2(COC(=O)C)C)CO
|
|
| MCULE-8615958761 |
0.60 |
C1C[C@]2(C)C3C(=O)C[C@]4(C)[C@@H]([C@@H](CCC(=O)OC)C)C[C@H](O)[C@@]4(C)C=3[C@@H](O)C[C@@]2([H])[C@@](C)(CO)C1=O
|
|
| MCULE-6346527900 |
0.60 |
C1(O)C2C3CC(C=C3)C2C(=O)C=1
|
|
| MCULE-1010776591 |
0.60 |
C1C[C@@]2(C)C(C(C)(C)C1)C(=O)C=C(C)[C@@H]2CO
|
|
| MCULE-2458381576 |
0.60 |
C1C2C(=O)C(CC(C(=O)O)C2)C=C1
|
|
| MCULE-3574368321 |
0.60 |
C(O)(=O)C1CC=CC(C)(C)CC=C(C)CCC=1
|
|
| MCULE-4887777095 |
0.60 |
C1=CC2C3C=CC3C1C=C2CO
|
|
| MCULE-6821384626 |
0.60 |
O=C1CCC2(C)C3C(O)CC4(C)C(CCC4C3CCC2=C1)C(CO)(O)[H]
|
|
| MCULE-2196052177 |
0.60 |
[K+].C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@@]2(O)CCC(=O)[O-]
|
|
| MCULE-4753796367 |
0.60 |
C1(O)CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C)(C1)C(O)=O)C
|
|
| MCULE-8041079323 |
0.60 |
C[C@]12CC[C@@]3([H])[C@]([C@@H](CC4[C@]3(C)CCC(=O)C=4)CCC)([H])[C@]1([H])CC[C@]2(O)CCC(=O)[O-].[K+]
|
|
| MCULE-7672510075 |
0.60 |
C12C(=O)C(C3([H])C(=O)C=CC13[H])C=C2
|
|
| MCULE-9029872817 |
0.60 |
C1(CCCCCCCO)C(=O)C[C@@H](O)C=1
|
|
| MCULE-1263670923 |
0.60 |
O=C1C2CCCCC=2C2(CCCC2)C2CCCCC=21
|
|
| MCULE-4240902847 |
0.60 |
C1(=CC2CCCCC2)C(=O)C(=CC2CCCCC2)CC1
|
|
| MCULE-9116290084 |
0.60 |
OC(C=C1C(=O)C2(CCCC2)CC1)=O
|
|
| MCULE-5186769141 |
0.60 |
C12(C)C[C@H](O)C3C(CCC4=CC(=O)CCC34C)C1C[C@@H](C)[C@]2(O)C(CO)=O
|
|
| MCULE-8463642691 |
0.60 |
C1C[C@]2(C)[C@@]3([H])[C@@H](O)C[C@]4(C)[C@@](O)(C(CO)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
|
|
| MCULE-7720595428 |
0.60 |
C1[C@@]2(O)C=C[C@]3([C@]4([H])[C@@]5(C[C@]5([H])C(=O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)CC[C@@H]1O)[H])[H]
|
|
| MCULE-9060371972 |
0.60 |
C12CC[C@H](O)[C@@]1(C)CCC(=O)C=2
|
|
| MCULE-8646276663 |
0.60 |
C12(C)CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(CO)=O
|
|
| MCULE-4822409054 |
0.60 |
C12(C)C[C@@H](O)C3C(CCC4=CC(=O)CCC34C)C1CC[C@]2(O)C(CO)=O
|
|
| MCULE-8953627920 |
0.60 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-2791131855 |
0.60 |
[C@]12(C)C[C@H](O)[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(O)C(CO)=O)[H]
|
|
| MCULE-4768757628 |
0.60 |
CC1CC2C(=C3C(C4C(=O)C(=O)C=42)CC(C)CC3)CC1
|
|
| MCULE-2640054094 |
0.60 |
O=C1CC(O)C(C)=C1CC=C
|
|
| MCULE-6501593178 |
0.60 |
C1(O)CC2(C(CO)C(C)=CC(=O)C2C(C)(C)C1)C
|
|
| MCULE-3272252898 |
0.60 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4(C3CCC2=C1)[H])C(O)=O
|
|
| MCULE-5666426405 |
0.60 |
C12(O)C(O)C(C)(C)CC31C(C)CCC3C(C(=O)O)=C2
|
|
| MCULE-1159166918 |
0.60 |
[C@]12(C)C[C@]([H])(O)[C@]3([C@@](C)(CCC4=CC(=O)C=C[C@]34C)[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)O)[H]
|
|
| MCULE-7594353501 |
0.60 |
C1C[C@@]2(C)C3=CC[C@@]4(O)C(=C)C(=O)[C@@]3(C4)CC[C@]2([H])[C@](C)(C(=O)O)C1
|
|
| MCULE-1400269697 |
0.60 |
C1(=O)CCC(=O)C(C1)(C/C=C(\C)/CC/C=C(\C)/C(=O)OC)CC(=O)OC
|
|
| MCULE-5352426534 |
0.60 |
C1(CC(OC)=O)=C(C)C(=O)C=C2C(CCCC21C)(C)C
|
|
| MCULE-1916767135 |
0.60 |
O=C1CCC2(CO)C3CCC4(C)C(CCC4(O)C3CCC2=C1)C(CO)=O
|
|
| MCULE-4202565953 |
0.60 |
C1CC2(C(CCC(C2CC/C(/C)=C/C(=O)O)=C)C(C(O)=O)(C)C1)C
|
|
