| MolPort-002-514-617 |
0.74 |
COC1=C2C(C\C(O)=C\C(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-522-202 |
0.72 |
COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
|
|
| MolPort-002-516-603 |
0.72 |
COC1=C2C(CC(O)CCC3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-612 |
0.72 |
COC1=CC(CCC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=CC=C1O
|
|
| MCULE-3411300988 |
0.72 |
C12=C(CCN(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2028522222 |
0.72 |
C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9318246296 |
0.72 |
C12=C(CCN(C)C1CC(O)C(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-5660778036 |
0.72 |
C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC.[Br-]
|
|
| MolPort-002-515-137 |
0.72 |
COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-526-039 |
0.72 |
COC1=C2[C@H](CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-596-509 |
0.72 |
COC1=C2C(CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-725-791 |
0.72 |
[OH-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-696 |
0.72 |
COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-520-180 |
0.72 |
COC1=C2C(CC(O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-831-098 |
0.72 |
[Br-].COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
|
|
| MolPort-000-698-309 |
0.72 |
[I-].COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-698-521 |
0.72 |
[I-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-098 |
0.71 |
COC1=C2C(CC(=O)C3=CCC4C5CC[C@H]6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MCULE-1468712024 |
0.71 |
C12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CCC34C)[C@]1([H])CC=C2C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2)[H]
|
|
| MCULE-8407052594 |
0.71 |
[C@]12(C)CCC3C(CC[C@@]4([H])CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
| MCULE-4071678887 |
0.71 |
C12(C)CC[C@]3([C@@]([H])(CC[C@@]4([H])C[C@H](O)CCC34C)[C@]1([H])CC=C2C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2)[H].[I-]
|
|
| MCULE-8730131893 |
0.71 |
C12=C(CCN(C)C1CC(C)O)C=C1C(OCO1)=C2OC
|
|
| MolPort-009-758-113 |
0.71 |
[I-].COC1=C2C(CC(=O)C3=CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-721-313 |
0.71 |
[I-].COC1=C2C(CC(=O)C3=CC[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CCC6(C)[C@H]5CCC34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-373 |
0.71 |
COC1=C2C(CC(C)O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-217 |
0.71 |
COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-516-591 |
0.71 |
COC1=C2C(CC(=O)C3=CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-020 |
0.70 |
COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-947 |
0.70 |
COC1=CC(=CC(OC)=C1OC)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-514-662 |
0.70 |
COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-287 |
0.70 |
COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-513-869 |
0.70 |
COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-516-922 |
0.70 |
COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-170 |
0.70 |
COC1=CC=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-834-329 |
0.70 |
COC1=C2C(CC(O)CC3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-289 |
0.70 |
COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-000-731-251 |
0.70 |
[I-].COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-827-286 |
0.70 |
[I-].COC1=C(OC)C=C(C=C1)C(O)CC1[NH+](C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-743-610 |
0.70 |
[I-].COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-009-757-955 |
0.70 |
I.COC1=C(OC)C=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-729-408 |
0.70 |
[I-].COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-5124333350 |
0.70 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
| MCULE-3623977626 |
0.70 |
C12=C(CCN(C)C1CC(O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3935956997 |
0.70 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-5907992453 |
0.70 |
C12=C(CCN(C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-1872782088 |
0.70 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-5876741895 |
0.70 |
[I-].C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-3528726804 |
0.70 |
C12=C(CC[NH+](C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC.[Cl-]
|
|
| MCULE-8781608015 |
0.70 |
C12=C(CCN(C)C1CC(O)C1C=CC=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6347733673 |
0.70 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC
|
|
| MolPort-000-717-312 |
0.70 |
[I-].COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-757-991 |
0.70 |
Cl.COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-000-720-053 |
0.70 |
[I-].COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-515-483 |
0.70 |
COC1=CC=CC(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C1
|
|
| MolPort-000-745-031 |
0.70 |
[Cl-].COC1=CC=C(CC(O)CC2[NH+](C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-002-514-854 |
0.70 |
COC1=C2C(CC(=O)\C=C(\O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-624 |
0.70 |
COC1=C2C(CC(O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-769 |
0.70 |
COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-518-995 |
0.69 |
COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-046-598-105 |
0.69 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-244 |
0.69 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-707-236 |
0.69 |
[I-].COC1=C2C(CC(=O)\C=C(\O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-720-730 |
0.69 |
[I-].COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-838-617 |
0.69 |
[Br-].COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-277 |
0.69 |
COC1=C2C(CC(O)C(F)(F)F)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-758-073 |
0.69 |
[I-].COC1=C2C(CC(=O)C3CC[C@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-1105978207 |
0.69 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-6277168833 |
0.69 |
C12=C(CCN(C)C1CC(O)C(F)(F)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-2156282825 |
0.69 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)CC(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-7547592688 |
0.69 |
C12OCOC=1C=C1C3CN(CC1=C2)C1CC(O)C(O)C=C31
|
|
| MolPort-000-752-271 |
0.69 |
[Br-].COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-002-514-606 |
0.69 |
COC1=CC(OC)=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-514-872 |
0.69 |
COC1=C2C(CC(O)C3=CC=C(CC(C)C)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-707-970 |
0.69 |
[I-].COC1=C2C(CC(O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-019-936-918 |
0.69 |
OC1CC2N3CC(C2=CC1O)C1=CC2=C(OCO2)C=C1C3
|
|
| MolPort-046-153-066 |
0.68 |
CO[C@H]1C=C2[C@H]3CN(CC4=CC5=C(OCO5)C=C34)[C@H]2C[C@@H]1O
|
|
| MolPort-000-882-129 |
0.68 |
O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-030-042-292 |
0.68 |
OC1C=C2CCN3CC4=C(C=C5OCOC5=C4)C(C23)C1O
|
|
| MolPort-002-514-879 |
0.68 |
COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-733 |
0.68 |
COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-311 |
0.68 |
COC1=C2C(CC(=O)C=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-181 |
0.68 |
COC1=C2C(CC(=O)C=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-4471227410 |
0.68 |
[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
|
|
| MCULE-9316066032 |
0.68 |
OC1C(C=C2CCN3CC4=CC5OCOC=5C=C4C1([H])C32[H])O
|
|
| MCULE-8029878723 |
0.68 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
|
|
| MCULE-1520472800 |
0.68 |
C12=C(CC[N+](C)(C)C1CC(=O)/C=C(/C)\C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1844335967 |
0.68 |
C12=C(CCN(C)C1CC(=O)/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-2144214276 |
0.68 |
C12=C(CCN(C)C1CC(O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-1426657592 |
0.68 |
C12=C(CCN(C)C1CC(=O)C(=C)CC=C(C)CC/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-4900852218 |
0.68 |
Cl.[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
|
|
| MCULE-5300920464 |
0.68 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O.Cl
|
|
| MCULE-3953892889 |
0.68 |
C12=C(CC[N+](C)(C)C1CC(=O)/C=C(/C)\C)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-5486251596 |
0.68 |
C12=C(CCN(C)C1CC(=O)C=CC(C)(C)C/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MolPort-002-514-529 |
0.68 |
COC1=CC(C(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C(OC)C=C1
|
|
| MolPort-002-513-112 |
0.68 |
COC1=C2C(CC(=O)C(\C)=C\C3C(C)=CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-147 |
0.68 |
COC1=C2C(CC(=O)C(=C)C\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-739-651 |
0.68 |
[I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)[C@H]([C@H]13)C1=C(C2)C=C2OCOC2=C1
|
|
| MolPort-009-653-412 |
0.68 |
Cl.O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-000-707-381 |
0.68 |
[I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)C(C13)C1=C(C2)C=C2OCOC2=C1
|
|
| MolPort-000-742-857 |
0.68 |
[I-].COC1=C2C(CC(=O)C=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-719-611 |
0.68 |
[I-].COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-276 |
0.68 |
COC1=C2C(CC(=O)\C=C\C(C)(C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-419 |
0.67 |
COC1=C2C(CC(O)C3=CC=C(F)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-048 |
0.67 |
COC1=C2C(CC(O)C3=CC=C(F)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-172 |
0.67 |
COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-336 |
0.67 |
COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-338 |
0.67 |
COC1=C2C(CC(=O)CC\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-890 |
0.67 |
COC1=C2C(CC(OC(C)=O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-824-435 |
0.67 |
Cl.COC1=C2C(CC(=O)\C=C\C(C)(C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-039-338-276 |
0.67 |
COC1=CC[C@]23CCN(C)[C@]2(C[C@H](O)C2=C3C=C3OCOC3=C2)C1=O
|
|
| MolPort-000-797-380 |
0.67 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(CC[C@]6(C)C5CC[C@]34C)OC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-699-726 |
0.67 |
[I-].COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-270 |
0.67 |
COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-758-012 |
0.67 |
Cl.COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-736-462 |
0.67 |
[I-].COC1=C2C(CC(O)C3=CC=C(F)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-949 |
0.67 |
COC1=C2C(CC(O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-326 |
0.67 |
COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-734-784 |
0.67 |
[Cl-].COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MCULE-1372189946 |
0.67 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-7677232966 |
0.67 |
Cl.C12=C(CCN(C)C1CC(=O)C=CC(C)(C)C/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-4012425697 |
0.67 |
C12=C(CCN(C)C1CC(C1=CC=CC=C1)OC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2674783794 |
0.67 |
C12=C(CCN(C)C1CC(=O)C1CCC3C4C(CC[C@]13C)[C@@]1(C)CCC(CC1=CC4)OC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5077697316 |
0.67 |
C12OCOC1=CC1[C@@H](O)C[C@]34N(C)CC[C@]3(CC=C(OC)C4=O)C=1C=2
|
|
| MCULE-4508435763 |
0.67 |
C12=C(CCN(C)C1CC(O)C1C=CC(=CC=1)Br)C=C1C(OCO1)=C2OC
|
|
| MCULE-6248551129 |
0.67 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC.[Br-]
|
|
| MCULE-5574529686 |
0.67 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-1070712624 |
0.67 |
C12=C(CCN(C)C1CC(CC/C=C(\C)/C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1210210850 |
0.67 |
C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
|
|
| MolPort-000-747-700 |
0.67 |
[Br-].COC1=C2C(CC(O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-518-092 |
0.67 |
COC1=C2C(CC(O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-246 |
0.67 |
COC1=C2C(CC(=O)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-229 |
0.67 |
COC1=C2C(CC(=O)CCC=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-195 |
0.67 |
COC1=C2C(CC(=O)C3CCC(C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-521-770 |
0.67 |
COC1=C2C(CC(=O)C3(C)CC4=C(CCCC4(C)C)CC3C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-261 |
0.67 |
COC1=C2C(CC(=O)C3CCC(C)=CC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-308 |
0.67 |
COC1=C2C(CC(O)C3=CC=C(Br)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-248 |
0.67 |
COC1=C2C(CC(=O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-199 |
0.67 |
COC1=C2C(CC(=O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-743-261 |
0.67 |
[I-].COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-713-716 |
0.67 |
[I-].COC1=C2C(CC(=O)C3CCC(C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-720-051 |
0.66 |
[I-].COC1=C2C(CC(=O)CCC=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-005-909-587 |
0.66 |
COC1=C2C(CC(=O)C(CC=C(C)C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-340 |
0.66 |
COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-317 |
0.66 |
COC1=C2C(CC(=O)\C=C\C=C(\C)CCC3=C(C)CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-769 |
0.66 |
COC1=C2C(CC(=O)\C=C\C=C(\C)CCC3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-027-717-717 |
0.66 |
COC1=C2C(CC(=O)C=CC=C(C)CCC3=C(C)CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-696-516 |
0.66 |
[I-].COC1=C2C(CC(=O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-136 |
0.66 |
COC1=C2C(CC(=O)C3CCC(CCC=C(C)C)=CC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-113 |
0.66 |
COC1=C2C(CC(=O)C3CCC(CCC=C(C)C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-1667452497 |
0.66 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-3862251077 |
0.66 |
C12=C(CCN(C)C1CC(C(C/C=C(\C)/C)C/C=C(/C)\C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4497568477 |
0.66 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-9792486342 |
0.66 |
C12=C(CCN(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-5221048285 |
0.66 |
C12=C(CC[NH+](C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-6067588070 |
0.66 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-6599095599 |
0.66 |
C12=C(CCN(C)C1CC(=O)C1CCC(=CC1)CC/C=C(/C)\C)C=C1C(OCO1)=C2OC
|
|
| MCULE-6725886454 |
0.66 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-3598814286 |
0.66 |
[Cl-].C12=C(CC[NH+](C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1592007325 |
0.66 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-1514692384 |
0.66 |
C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
|
|
| MolPort-009-758-102 |
0.66 |
Cl.COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-711-733 |
0.66 |
[I-].COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-697-389 |
0.66 |
[I-].COC1=C2C(CC(=O)\C=C\C=C(\C)CCC3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-704-354 |
0.66 |
[Cl-].COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-744-641 |
0.66 |
[I-].COC1=C2C(CC(=O)C3CCC(CCC=C(C)C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-594-236 |
0.65 |
OC1CC2CCN3CC4=CC5=C(OCO5)C=C4C(C23)C1O
|
|
| MolPort-002-526-469 |
0.65 |
O[C@H]1C[C@H]2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-035-668-917 |
0.65 |
OC1CC2CCN3CC4=C(C=C5OCOC5=C4)C([C@H]23)[C@H]1O
|
|
| MolPort-044-179-667 |
0.65 |
O[C@H]1CC2CCN3CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1O
|
|
| MolPort-002-520-864 |
0.65 |
COC1=C2C(C\C(=N/O)C3=CCC(CCC=C(C)C)CC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-693 |
0.65 |
COC1=CC=C(CCC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-002-513-218 |
0.65 |
COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-209 |
0.65 |
COC1=CC(CCC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=CC=C1O
|
|
| MolPort-002-515-244 |
0.65 |
COC1=C2C(CC(=O)CCC3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-516-882 |
0.65 |
COC1=CC=C(CCC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-002-514-439 |
0.65 |
COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-728-078 |
0.65 |
[I-].COC1=C2C(C\C(O)=C3/CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-997 |
0.65 |
CCC(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-514-593 |
0.65 |
COC1=C2C(CC(=O)C(C)(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-458 |
0.65 |
COC1=C2C(CC(=O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-926 |
0.65 |
COC1=C2C(CC(=O)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-142 |
0.65 |
COC1=C2C(CC(=O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MCULE-9694482286 |
0.65 |
[C@H]1(O)C[C@@]2([H])CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
|
|
| MCULE-3609746722 |
0.65 |
C12([H])C(O)C(O)CC3CCN(CC4=CC5OCOC=5C=C14)C23[H]
|
|
| MCULE-8568707662 |
0.65 |
C12C(CCN(C)C1CC(=NO)C1CCC(CC=1)CC/C=C(\C)/C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-6259345237 |
0.65 |
[I-].C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
|
|
| MCULE-4253336600 |
0.65 |
C12=C(CC[N+](C)(C)C1CC(CCC1C=CC(OC)=CC=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3627009950 |
0.65 |
C12=C(CCN(C)C1CC(CCC1C=CC3=C(OCO3)C=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-7347258827 |
0.65 |
C12=C(CCN(C)C1CC(CCC1C=CC(=C(OC)C=1)O)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5035620957 |
0.65 |
C12=C(CCN(C)C1CC(CCC1C=CC(=CC=1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4192923499 |
0.65 |
C12=C(CCN(C)C1CC(CCC1C=CC(=CC=1)O)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4557116195 |
0.65 |
C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1
|
|
| MCULE-2580202854 |
0.65 |
C12=C(CCN(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9824572468 |
0.65 |
C12C(CCN(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4488135397 |
0.65 |
C12C(CC[N+](C)(C)C1CC(CC)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4722878192 |
0.65 |
C12=C(CC[N+](C)(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1239040532 |
0.65 |
C12C(CC[N+](C)(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9783615335 |
0.65 |
C12=C(CC[N+](C)(C)C1CC(CCC1C=CC(OC)=CC=1)=O)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-4400069664 |
0.65 |
C12=C(CCN(C)C1CC(=O)CC1N(C)CCC3C=C4C(OCO4)=C(OC)C1=3)C=C1C(OCO1)=C2OC
|
|
| MCULE-5788232203 |
0.65 |
C1=CC2C3([H])C(O)CC4=CC5OCOC=5C=C4C3([H])N(C)CC=2C(OC)=C1OC
|
|
| MCULE-6346519692 |
0.65 |
C12=C(CCN(C)C1CC(=NO)C(=C)CC=C(C)CC/C=C(/C)\C)C=C1C(OCO1)=C2OC
|
|
| MCULE-3290305628 |
0.65 |
C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1.Cl
|
|
| MCULE-5267015184 |
0.65 |
[I-].C12C(CC[N+](C)(C)C1CC(CC)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9930157051 |
0.65 |
[I-].C12=C(CC[N+](C)(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9371937190 |
0.65 |
[I-].C12C(CC[N+](C)(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-8351086732 |
0.65 |
[C@]12([H])[C@H](O)[C@@H](OC)C=C3CCN(CC4=CC(OC)=C(OC)C=C14)[C@@]23[H]
|
|
| MCULE-2801266347 |
0.65 |
C12C(CCN(C)C1CC(CCC(C)=O)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-8175727011 |
0.65 |
C12=C(CC[N+](C)(C)C1CC(C1CCCCCCCCCCC1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5665937776 |
0.65 |
C12OCOC1=CC(CN1CCCC(CO)(CC3=CC=CC=C3C)C1)=CC=2OC
|
|
| MolPort-002-514-660 |
0.65 |
COC1=C2C(CC(=O)CC3N(C)CCC4=CC5=C(OCO5)C(OC)=C34)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-730-695 |
0.65 |
[I-].COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-724-870 |
0.65 |
[I-].COC1=CC=C(CCC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-002-516-261 |
0.65 |
COC1=C2C(C\C(=N\O)C(=C)C\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-044-181-432 |
0.65 |
Cl.O[C@H]1CC[C@@H]2CN3CCC4=CC5=C(OCO5)C=C4[C@@H]3C[C@@H]2C1
|
|
| MolPort-000-701-087 |
0.65 |
[I-].COC1=C2C(CC(=O)C(C)(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-706-016 |
0.65 |
[I-].COC1=C2C(CC(=O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-719-711 |
0.65 |
[I-].CCC(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-023-274-267 |
0.65 |
CO[C@H]1C=C2CCN3CC4=C(C=C(OC)C(OC)=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-002-513-108 |
0.65 |
COC1=C2C(CC(=O)C3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-128 |
0.65 |
COC1=C2C(CC(=O)CCC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-236 |
0.65 |
COC1=C2C(CC(=O)C3CCCCCCCCCCC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-152 |
0.65 |
COC1=C2C(CC(=O)CC3CCCCCCCCCCC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-008-362-465 |
0.65 |
COC1=CC(CN2CCCC(CO)(CC3=C(C)C=CC=C3)C2)=CC2=C1OCO2
|
|
| MolPort-002-520-745 |
0.65 |
COC1=C2C(CC(=O)CC3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-109 |
0.65 |
COC1=C2C(C\C(=N\O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-359 |
0.64 |
CCOC(=O)CC(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-515-508 |
0.64 |
COC1=C2C(C\C(CCC=C(C)C)=N\O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-516-667 |
0.64 |
COC1=C2C(C\C(\C=C\C(C)(C)CC=C(C)C)=N\O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-840-238 |
0.64 |
[Br-].COC1=C2C(CC(=O)CC3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-703-801 |
0.64 |
[I-].COC1=C2C(CC(=O)C3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-039-195-567 |
0.64 |
COC1=C2C(CC(=O)C34CC5CC(CC(C5)C3)C4)N(C)CCC2=CC2=C1OCO2
|
|
| MCULE-3155563993 |
0.64 |
C12=C(CCN(C)C1CC(=O)CC(OCC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9156709024 |
0.64 |
C12C(CCN(C)C1CC(=O)C13CC4CC(CC(C4)C1)C3)=CC1=C(OCO1)C=2OC
|
|
| MCULE-2533535089 |
0.64 |
[I-].C12=C(CC[N+](C)(C)C1CC(C1CCCCCCCCCCC1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3700587735 |
0.64 |
C12=C(CC[NH+](C)C1CC(C1CCC(=CC1)C)=N[O-])C=C1C(OCO1)=C2OC
|
|
| MCULE-3536652377 |
0.64 |
C12=C(CCNC1C1CCC=CC1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-4424541265 |
0.64 |
C12C(CCN(C)C1CC(C(C/C=C(/C)\C)C/C=C(\C)/C)=NO)=CC1=C(OCO1)C=2OC
|
|
| MCULE-8294538257 |
0.64 |
C12C(CCN(C)C1CC(=O)C1(CCNCC1)C1=CC=CC=C1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-8364503034 |
0.64 |
C12C(CCN(C)C1CC(=O)CC(C)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-5148542802 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4172303877 |
0.64 |
C12C(CCN(C)C1CC(C)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9653978221 |
0.64 |
C12=C(CCN(C)C1CC(CC1=CC=C(C=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3800946338 |
0.64 |
CCCCN1CC(O)C2=CC3=C(C(OC)=C2C1)OCO3
|
|
| MCULE-1368284170 |
0.64 |
C12=C(CCN(C)C1CC(CC1C=CC=CC=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5237128595 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=CC=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4220530900 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(OC)C=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5084101050 |
0.64 |
C12=C(CCN(C)C1CC(=O)C=CC1=CC=CC=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-8419124340 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C=CC=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-2217428265 |
0.64 |
CC12C3C=CC4OCOC=4C=3CN(C)C1C1C(=CC3OCOC=3C=1)CC2O
|
|
| MCULE-9582795993 |
0.64 |
C1=C2OCOC2=C2C(=C1)[C@@]1([H])[C@@H](O)CC3C=C4OCOC4=CC=3[C@@]1([H])N(C)C2
|
|
| MCULE-4289242615 |
0.64 |
CN1[C@@]2([H])[C@]([H])([C@@H](O)CC3C2=CC2OCOC=2C=3)C2C=CC3OCOC=3C=2C1
|
|
| MCULE-9646553011 |
0.64 |
C1=CC2[C@@]3(C)[C@@H](O)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
|
|
| MCULE-7728607823 |
0.64 |
C12C(O)CC3C(=CC4=C(OCO4)C=3)C1N(CC1=C3C(OCO3)=CC=C12)C
|
|
| MCULE-5542313374 |
0.64 |
[H]Cl.C12=C(CCNC1C1CCC=CC1)C=C(C(OCC)=C2)OCC
|
|
| MolPort-002-713-281 |
0.64 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1CCC=CC1
|
|
| MolPort-046-596-580 |
0.64 |
COC1=C2C(C\C(=N\[O-])C3CCC(C)=CC3)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-520-998 |
0.64 |
COC1=C2C(C\C(=N\O)C3CCC(C)=CC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-027-717-799 |
0.64 |
COC1=C2C(CC(=NO)C(CC=C(C)C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-521-011 |
0.64 |
COC1=C2C(C\C(=N\O)C(CC=C(C)C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-044-180-872 |
0.64 |
COC1=C2C(CC(=O)C3(CCNCC3)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-027-717-748 |
0.64 |
COC1=C2C(C\C(C=CC3C(C)=CCCC3(C)C)=N\O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-506-975 |
0.64 |
COC1=C2C(CC(=O)CC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-111 |
0.64 |
COC1=C2C(CC(C)=O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-824-393 |
0.64 |
COC1=C2C(CC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-777 |
0.64 |
COC1=C2C(CC(=O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-145 |
0.64 |
COC1=CC=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-002-513-292 |
0.64 |
COC1=CC=C(CC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-002-514-878 |
0.64 |
COC1=C2C(CC(=O)CC3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-020-005-766 |
0.64 |
CN1CC2=C(C=CC3=C2OCO3)[C@@]2(C)[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
|
|
| MolPort-002-513-178 |
0.64 |
COC1=C2C(CC(=O)\C=C\C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-187 |
0.64 |
COC1=C2C(CC(=O)\C=C\C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-594-424 |
0.64 |
CN1CC2=C(C=CC3=C2OCO3)C2(C)C(O)CC3=CC4=C(OCO4)C=C3C12
|
|
| MolPort-046-158-499 |
0.64 |
CN1CC2=C3OCOC3=CC=C2[C@@H]2[C@H](O)CC3=C(C=C4OCOC4=C3)[C@H]12
|
|
| MolPort-001-742-071 |
0.64 |
CN1CC2=C(C=CC3=C2OCO3)[C@H]2[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
|
|
| MolPort-002-522-206 |
0.63 |
COC1=C2C(CC(=O)C3CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-120 |
0.63 |
COC1=C2C(CC(=O)C3(C)CCOC3=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-489 |
0.63 |
COC1=C2C(CC(=O)C3CCCCC3=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-234 |
0.63 |
COC1=C2C(CC(=O)C3CCOC3=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-265 |
0.63 |
COC1=C2C(CC(=O)CC3=CC=C(OC(C)C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-304 |
0.63 |
COC1=C2C(CC(=O)CC3=CC=C(OC(C)C)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-100 |
0.63 |
COC1=C2C(CC(=O)C3(C)CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-758-247 |
0.63 |
Br.COC1=C2C(CC(=O)CC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-653-416 |
0.63 |
Cl.COC1=C2C(CC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-737-576 |
0.63 |
[I-].COC1=C2C(CC(C)=O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-281 |
0.63 |
COC1=CC=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1OC
|
|
| MolPort-044-754-200 |
0.63 |
COC1=CC2=C(C=C1O)[C@H]1[C@@H]3N(CCC3=C[C@H](O)[C@H]1O)C2
|
|
| MolPort-002-513-174 |
0.63 |
COC1=CC=C(CC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1OC
|
|
| MolPort-000-707-460 |
0.63 |
[I-].COC1=C2C(CC(=O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-739-733 |
0.63 |
[I-].COC1=CC=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-046-793-208 |
0.63 |
Cl.CN1CC2=C3OCOC3=CC=C2[C@H]2[C@@H](O)CC3=CC4=C(OCO4)C=C3[C@@H]12
|
|
| MolPort-000-741-838 |
0.63 |
[I-].COC1=C2C(CC(=O)\C=C\C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-426 |
0.63 |
COC1=CC=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-002-800-513 |
0.63 |
COC1=C2C(CC3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-727-595 |
0.63 |
[I-].COC1=C2C(CC(=O)C3(C)CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-758-272 |
0.63 |
[I-].COC1=C2C(CC(=O)C3CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-703-264 |
0.63 |
[I-].COC1=C2C(CC(=O)CC3=CC=C(OC(C)C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-141 |
0.63 |
COC1=CC(CC\C(CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=N/O)=CC=C1O
|
|
| MolPort-000-516-075 |
0.63 |
COC1=C2C(CC(=O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-517-339 |
0.63 |
CCOC1=CC=C(\C=C\C(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MCULE-8224463524 |
0.63 |
C12=C(CCN(C)C1CC(CC1C=CC(=CC=1)OC(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2984419568 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(CC1C=CC(=CC=1)OC(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-7540454870 |
0.63 |
[I-].C12=C(CC[N+](C)(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5473096762 |
0.63 |
Cl.C12=C(CCN(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5262270574 |
0.63 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C(O)C(OC)=CC=2C3)[C@@H]1O
|
|
| MCULE-6262377897 |
0.63 |
C12=C(CCN(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4135055702 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(OC)C=C1)=O)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-2252449891 |
0.63 |
[I-].C12=C(CC[N+](C)(C)C1CC(CC1=CC=CC=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-8473723087 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5506248577 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-1879064847 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C=CC=CC=1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-3433894148 |
0.63 |
[I-].C12=C(CC[N+](C)(C)C1CC(CC1C=CC(=CC=1)OC(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-6140829853 |
0.63 |
C12C(CCN(C)C1CC(=O)C=CC1C=CC(=CC=1)OCC)=CC1=C(OCO1)C=2OC
|
|
| MCULE-6386950507 |
0.63 |
C12=C(CCN(C)C1CC(C1C=CC=CC=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2853173462 |
0.63 |
C12=C(CCN(C)C1CC(C(C)C)=NO)C=C1C(OCO1)=C2OC
|
|
| MCULE-2530138460 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=O)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-3070154615 |
0.63 |
C12=C(CCN(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-5348350150 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-7092618745 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-7012499883 |
0.63 |
C12=C(CCN(C)C1CC(=O)C1C=C(C)C=CC=1O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5345347233 |
0.63 |
C12CN(C)CCC=1C=C1C(OCO1)=C2OC
|
|
| MCULE-2489132875 |
0.63 |
C1(O)(CCN(CC2=CC(OC)=C3C(OCO3)=C2)C1)C1C=CC=CC=1C
|
|
| MCULE-1999345931 |
0.63 |
C12C(CCN(C)C1CC(=O)C1=CC=C(C=C1)O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-3854036223 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(OC)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6459753628 |
0.63 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=CC=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-4130170190 |
0.63 |
C12C(CCN(C)C1CC(=O)C1C=CC3=C(C=CC(OC)=C3)C=1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9215268019 |
0.63 |
C12=C(CCN(C)C1CC(C)(NC=O)C(=O)CC1CCCC1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3205404587 |
0.63 |
C12=C(CCN(C)C1CC(O)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-6910387877 |
0.63 |
C12C(CCN(C)C1CC(=O)C1C=CC(=CC=1)OCC)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9068899112 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-5816040634 |
0.63 |
C1(OC)C=C2CCCN3CCC4[C@]3(C2=CC=1OC)C[C@@H](OC)CC=4
|
|
| MolPort-002-513-263 |
0.63 |
COC1=C(CC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=CC=C1
|
|
| MolPort-002-513-262 |
0.63 |
COC1=C2C(C\C(=N\O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-520-155 |
0.63 |
COC1=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-000-722-566 |
0.63 |
[I-].COC1=CC=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1OC
|
|
| MolPort-000-699-363 |
0.63 |
[I-].COC1=CC=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-000-859-392 |
0.63 |
COC1=C2C(CC(=O)C3=C(O)C=CC(C)=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-225 |
0.63 |
COC1=C2C(CC(=O)C3=C(O)C=CC(C)=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-035-372-423 |
0.63 |
COC1=C2OCOC2=CC(CN2CCC(O)(C2)C2=C(C)C=CC=C2)=C1
|
|
| MolPort-027-717-774 |
0.63 |
[I-].CCOC1=CC=C(C=CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-000-752-501 |
0.63 |
[I-].CCOC1=CC=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-002-513-159 |
0.63 |
COC1=C2CN(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-534-148 |
0.63 |
COC1=C2C(CC(C)(NC=O)C(=O)CC3CCCC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-516-078 |
0.63 |
COC1=CC=C(C=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-039-194-622 |
0.63 |
COC1=CC=C2C=C(C=CC2=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-513-295 |
0.63 |
COC1=CC=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-042-646-660 |
0.63 |
COC1=C2C(CC(=O)C3=CC=C(O)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-507-020 |
0.63 |
COC1=C2C(CC(O)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-516-089 |
0.63 |
CCOC1=CC=C(C=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-831-150 |
0.63 |
[I-].COC1=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-035-705-698 |
0.63 |
CO[C@H]1CC=C2CCN3CCCC4=CC(OC)=C(OC)C=C4[C@]23C1
|
|
| MolPort-000-741-298 |
0.62 |
[I-].COC1=C2C(CC(=O)C3=C(O)C=CC(C)=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-516-079 |
0.62 |
COC1=CC=CC(=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-709-784 |
0.62 |
[I-].COC1=CC=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-513-240 |
0.62 |
COC1=C2C(CC(=O)C3=C(O)C=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-454 |
0.62 |
COC1=C2C(CC(=O)C3=C(O)C=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-139 |
0.62 |
COC1=CC=CC(=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-521-064 |
0.62 |
COC1=C2C(CC(=O)CCN3C=CC=N3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-198 |
0.62 |
COC1=CC=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1OC
|
|
| MolPort-002-513-314 |
0.62 |
COC1=CC=C(\C=C\C(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1OC
|
|
| MolPort-002-508-854 |
0.62 |
COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCCC1)C2
|
|
| MolPort-002-514-358 |
0.62 |
CCCCCC1=CC=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-514-458 |
0.62 |
CCCCCC1=CC=C(C=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-513-299 |
0.62 |
COC1=C2C(CC(=O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-288 |
0.62 |
COC1=C2C(CC(=O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-293 |
0.62 |
COC1=C2C(CC(=O)C(F)(F)F)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-149-219 |
0.62 |
COC1=C(OC)C=C2CN(CC3CCC=CC3)CCC2=C1
|
|
| MolPort-002-513-153 |
0.62 |
COC1=CC(O)=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-514-726 |
0.62 |
CCC1=CC=C(C=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-513-294 |
0.62 |
COC1=C2C(CC(=O)C3=CC4=C(OCO4)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-400 |
0.62 |
COC1=C2C(CC(=O)C3=CC=C(C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-448 |
0.62 |
COC1=CC(O)=C(C=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-514-797 |
0.62 |
CCC1=CC=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-513-260 |
0.62 |
COC1=CC(=CC(OC)=C1OC)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-515-970 |
0.62 |
COC1=C(C=CC=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-741-599 |
0.62 |
[I-].COC1=C2C(CC(=O)C3=C(O)C=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-699-424 |
0.62 |
[I-].COC1=CC=CC(=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-516-083 |
0.62 |
COC1=C(C=CC=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-516-080 |
0.62 |
COC1=C2C(CC(=O)C3=CC=C(C)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-516-077 |
0.62 |
COC1=C(OC)C=C(C=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-513-268 |
0.62 |
COC1=CC=CC(OC)=C1C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-516-074 |
0.62 |
COC1=C2C(CC(=O)C3=CC4=C(OCO4)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-104 |
0.62 |
COC1=CC=CC(OC)=C1C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-513-177 |
0.62 |
COC1=C2C(CC(=O)C3=CC=C(CC(C)C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-221 |
0.62 |
COC1=CC(=CC(OC)=C1OC)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-513-114 |
0.62 |
COC1=C2C(CC(=O)C3=CC=C(CC(C)C)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-253 |
0.62 |
COC1=C(OC)C=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MCULE-2879546752 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=C(C)C=1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-6057697028 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1=CC=CC(OC)=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3515784495 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=CC=CC=1O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4428957472 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=CC(OC)=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6777406519 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(OC)C=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-2444936690 |
0.62 |
C12CN(C)CCC1=CC1OCOC=1C=2OC.Cl
|
|
| MCULE-7352810009 |
0.62 |
C12=C(CCN(C)C1CC(=O)CCN1C=CC=N1)C=C1C(OCO1)=C2OC
|
|
| MCULE-1332611476 |
0.62 |
C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
|
|
| MCULE-1435751933 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1=CC=C(C(OC)=C1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-3191842261 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1=CC=C(C=C1)CCCCC)C=C1C(OCO1)=C2OC
|
|
| MCULE-9529539765 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(CCCCC)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-7542405721 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C(C)=CC3=C(C(C)(C)CC(C)C3(C)C)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6857423314 |
0.62 |
C12=C(CCN(C)C1CC(=O)C(F)(F)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-5371671745 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CCC=CC1
|
|
| MCULE-2359448863 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=CC=1O)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-8515575426 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-6153884916 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-1263988904 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(C)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-7549371076 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-1778111412 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C(=CC=CC=1OC)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-5523440142 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1=CC=C(C=C1)CC(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-4068202259 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-1792024767 |
0.62 |
C12C(CCN(C)C1CC(=O)C1C=CC(=CC=1)CC)=CC1=C(OCO1)C=2OC
|
|
| MCULE-3109474662 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=CC(OC)=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-7465716499 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=CC=1O)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-3837596665 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1=CC(OC)=C(C(OC)=C1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-7512263848 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(CC(C)C)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-4347864369 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-2160746059 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC(OC)=C(C(OC)=C1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-5453763516 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1=C(C=CC=C1OC)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-8582567105 |
0.62 |
C12C(CC[N+](C)(C)C1CC(=O)C1C=CC(CC)=CC=1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-2162713624 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1524174379 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1=CC=C(C=C1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-2094664166 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-1355523423 |
0.62 |
[Cl-].C12=C(CC[NH+](C)C1CC(=O)CCN1C=CC=N1)C=C1C(OCO1)=C2OC
|
|
| MCULE-4851406858 |
0.62 |
C12C(CCN(C)C1CC(=O)C1C=CC3=C(CCCC3)C=1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9759287908 |
0.62 |
C12CN(C)CCC1=CC(OC)=C1OCOC1=2
|
|
| MCULE-7486820875 |
0.62 |
C12C(CC#N)N(C)CCC1=CC1=C(OCO1)C=2OC
|
|
| MCULE-3514048268 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1=CC=C(C(OC)=C1)OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-3633827785 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=CC=1C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-2472926646 |
0.62 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=CC=1C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1415546267 |
0.62 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(CCCCC)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-5136907017 |
0.62 |
Cl.C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
|
|
| MCULE-6025936245 |
0.62 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1C(C)=CC3=C(C(C)(C)CC(C)C3(C)C)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-8055874857 |
0.62 |
C1(OC)C=C2CCCN3C[C@H]4O[C@]54[C@]3(C2=CC=1OC)C[C@@H](OC)C=C5
|
|
| MCULE-5634444264 |
0.62 |
C1(OC)C=C2CCCN3C[C@H]4O[C@]54[C@]3(C2=CC=1OC)C[C@H](OC)C=C5
|
|
| MCULE-1141280103 |
0.62 |
C12C(CCN(C)C1CC(=O)C1C=CC(=CC=1)I)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4667092841 |
0.62 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2COCCC2)=C1
|
|
| MCULE-5448382624 |
0.62 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-8207424392 |
0.62 |
C1C2=C(C(=C3OCOC3=C2)OC)C(N(C1)C)CC(=O)C1C(OC)=CC(OC)=CC=1
|
|
| MCULE-5951452418 |
0.62 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-7655435466 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C(=CC=CC=1OC)OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-3835067646 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-8603420733 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(C)C=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-4063929606 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(C=C1OC)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-1098157225 |
0.62 |
[I-].C12C(CC[N+](C)(C)C1CC(=O)C1C=CC(CC)=CC=1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-3406354733 |
0.62 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(CC(C)C)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6882336555 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC(OC)=C(C(OC)=C1)OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-5303145029 |
0.62 |
C12C(CCN(C)C1CC(=O)C1=CC(O)=CC=C1O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4904268622 |
0.62 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=CC=1O)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-4457029529 |
0.62 |
C12C(CC=C)NC3(CCCC3)CC=1C=C(OC)C(OC)=C2
|
|
| MCULE-3257801266 |
0.62 |
C12C=C(C(=CC=1C(C(C)C2(C)C)(C)C)C)C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
| MCULE-2546164744 |
0.62 |
C12=C3OCOC3=CC3CCN(C)[C@@]([H])(CC4=CC=C(C=C4)OC4C=C(C=CC=4OC)C[C@]4(N(C)CC5=C(C4)C=C(C(OC)=C5)O1)[H])C2=3
|
|
| MCULE-1938191314 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CC2CC1C=C2
|
|
| MCULE-7606339998 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=CC=1C)C)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-7048906339 |
0.62 |
[C@@H]12CN(C[C@@H]1[C@@](N[C@@H]2C1=CC(OC)=C2C(OCO2)=C1)(CO)CCO)CC
|
|
| MCULE-8191047749 |
0.62 |
C12CN(C)CCC1=CC(OC)=C1OCOC1=2.Cl
|
|
| MolPort-000-701-413 |
0.62 |
[Cl-].COC1=C2C(CC(=O)CCN3C=CC=N3)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-834-156 |
0.62 |
[I-].COC1=C2C(CC(=O)CCN3C=CC=N3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-757-879 |
0.62 |
Cl.COC1=C2C(CC(=O)CCN3C=CC=N3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-208 |
0.62 |
COC1=C2C(CC(=O)C3=CC4=C(CCCC4)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-067-924 |
0.62 |
COC1=C2C(CC#N)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-726-697 |
0.62 |
[I-].COC1=CC=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1OC
|
|
| MolPort-000-516-088 |
0.62 |
COC1=C2C(CC(=O)C3=C(C)C=C(C)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-727-084 |
0.62 |
[Cl-].COC1=C(OC)C=C2C(CC=C)[NH2+]C3(CCCCC3)CC2=C1
|
|
| MolPort-003-181-784 |
0.62 |
Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCCC1)C2
|
|
| MolPort-000-745-694 |
0.62 |
[I-].CCCCCC1=CC=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-514-481 |
0.62 |
COC1=C2C(CC(=O)C3=C(C)C=C(C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-762-434 |
0.62 |
C[N+]12CCC3=C(C1CC1=CC=C4OCOC4=C1C2)C(O)=C1OCOC1=C3
|
|
| MolPort-035-705-695 |
0.62 |
CO[C@H]1C[C@]23N(C[C@H]4O[C@@]24C=C1)CCCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-000-723-731 |
0.62 |
[I-].COC1=C2C(CC(=O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-035-705-694 |
0.62 |
CO[C@@H]1C[C@]23N(C[C@H]4O[C@@]24C=C1)CCCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-002-533-920 |
0.62 |
COC1=C2C(CC(=O)C3=CC=C(I)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-699-281 |
0.62 |
[I-].COC1=CC(O)=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-742-129 |
0.62 |
[I-].COC1=CC=CC(OC)=C1C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-709-668 |
0.62 |
[I-].COC1=C2C(CC(=O)C3=CC=C(C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-715-645 |
0.62 |
[I-].COC1=C(OC)C=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-039-194-377 |
0.62 |
COC1=C2C(CC(=O)C3=C(O)C=CC(O)=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-718-685 |
0.62 |
[I-].COC1=C2C(CC(=O)C3=CC=C(CC(C)C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-522-306 |
0.62 |
COC1=CC(OC)=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-708-119 |
0.62 |
[I-].COC1=C2C(CC(=O)C3=CC4=C(OCO4)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-721-975 |
0.62 |
[I-].COC1=C(C=CC=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-737-572 |
0.62 |
[I-].COC1=CC(=CC(OC)=C1OC)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-516-082 |
0.62 |
COC1=CC(OC)=C(C=C1)C(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-736-414 |
0.62 |
[I-].CCC1=CC=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-513-312 |
0.62 |
COC1=C2C(CC(=O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-306 |
0.62 |
COC1=C2C(CC(=O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-510-674 |
0.62 |
COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCC1)C2
|
|
| MolPort-016-616-669 |
0.62 |
CCN1C[C@@H]2[C@H](C1)[C@@](CO)(CCO)N[C@@H]2C1=CC2=C(OCO2)C(OC)=C1
|
|
| MolPort-000-700-833 |
0.62 |
[I-].COC1=C2C(CC(=O)C3=C(C)C=C(C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-115-199 |
0.62 |
COC1=C(OC)C=C2CN(CC3CC4CC3C=C4)CCC2=C1
|
|
| MolPort-006-393-733 |
0.61 |
COC1=C(OC)C=C2[C@@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-006-393-731 |
0.61 |
COC1=C(OC)C=C2[C@@H]3C[C@@H](O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-028-744-724 |
0.61 |
COC1=C(OC)C=C2[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-002-513-321 |
0.61 |
COC1=C(C)C(C)=C(\C=C\C(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C(C)=C1
|
|
| MolPort-044-463-793 |
0.61 |
COC1=CC(CN2CCC(O)C3=CC=CC=C3C2)=CC2=C1OCO2
|
|
| MolPort-045-927-646 |
0.61 |
COC1=C2OCOC2=CC(CN2CC[C@](O)([C@H]3CCCC[C@@H]23)C2=CC=CC=C2)=C1
|
|
| MolPort-046-418-253 |
0.61 |
COC1=C(OC)C=C2[C@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-002-513-176 |
0.61 |
COC1=C(C)C(C)=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C(C)=C1
|
|
| MolPort-035-705-743 |
0.61 |
COC1=CC[C@]23CCN(C)[C@]2(C[C@H](O)C2=C3C(OC)=C(OC)C=C2)C1=O
|
|
| MolPort-000-827-445 |
0.61 |
[I-].COC1=CC(OC)=C(C=C1)C(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-513-291 |
0.61 |
COC1=C2C(CC(=O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-323 |
0.61 |
COC1=C2C(CC(=O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-706-807 |
0.61 |
[I-].COC1=C2C(CC(=O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-027-717-751 |
0.61 |
Cl.COC1=C2C(CC(C)=NO)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-003-181-932 |
0.61 |
Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCC1)C2
|
|
| MolPort-000-712-320 |
0.61 |
[Cl-].COC1=C(OC)C=C2C(CC=C)[NH2+]C3(CCCC3)CC2=C1
|
|
| MolPort-002-513-324 |
0.61 |
COC1=C2C(C\C(CCN3C=CC=N3)=N\O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-842-532 |
0.61 |
COC1=C(OC)C=C2C(CC(C3N(C)CCC4=CC5=C(OCO5)C(OC)=C34)C2=O)=C1
|
|
| MolPort-002-513-223 |
0.61 |
COC1=C2C(CC(=O)C3=CC=C(F)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-210 |
0.61 |
COC1=C2C(CC(=O)C3=CC=C(F)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-519-935 |
0.61 |
COC1=CC=C(C\C(CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=N\O)C=C1
|
|
| MolPort-001-924-855 |
0.61 |
COC1=CC2=C(C=C1OC)C1(CCC(O)CC1)CN(C)C2
|
|
| MolPort-002-515-445 |
0.61 |
COC1=C2C(C(C(=O)C(F)(F)F)C(=O)C(F)(F)F)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-016-586-027 |
0.61 |
COC1=CC(CNC2CCCC3=C2C=CC=C3)=CC2=C1OCO2
|
|
| MolPort-000-740-941 |
0.61 |
[I-].COC1=C(C)C(C)=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C(C)=C1
|
|
| MolPort-002-513-219 |
0.61 |
COC1=C2C(C\C(CC3=CC=C(OC(C)C)C=C3)=N\O)N(C)CCC2=CC2=C1OCO2
|
|
| MCULE-4040643278 |
0.61 |
C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
|
|
| MCULE-7011532507 |
0.61 |
C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
|
|
| MCULE-6103579813 |
0.61 |
C12C(CCN(C)C1CC(C1=CC=CC=C1)=NO)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4256618469 |
0.61 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(F)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-9147321527 |
0.61 |
C12=C(CCN(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=NO)C=C1C(OCO1)=C2OC
|
|
| MCULE-6887348492 |
0.61 |
C12C(CCN(C)C1CC(=O)C1=CC=C(C=C1)N)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9715112765 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-1268343787 |
0.61 |
C12=C(CCN(C)C1CC(=O)C1C=CC3=C4C(=CC=CC=14)CC3)C=C1C(OCO1)=C2OC
|
|
| MCULE-7392876312 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-4056867509 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC3=C4C(=CC=CC=14)CC3)C=C1C(OCO1)=C2OC
|
|
| MCULE-2844101799 |
0.61 |
C12=C(CCN(C)C1CC(=O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-9050141559 |
0.61 |
C12CNCCC1=CC(OC)=C1OCOC1=2
|
|
| MCULE-6909489981 |
0.61 |
N12CCC3C(=CC4=C(OCO4)C=3)[C@@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-1700843511 |
0.61 |
N12CCC3=C(C=C4C(OCO4)=C3)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-3875114127 |
0.61 |
N12CCC3C(=CC4=C(OCO4)C=3)C1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-3540014010 |
0.61 |
N12CCC3C(=CC4=C(OCO4)C=3)[C@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-3433736096 |
0.61 |
COC1C2=C(OCO2)C=C2C=1CN(CC2O)CC1C=CC=CC=1
|
|
| MCULE-1877661267 |
0.61 |
C12=C(CCN(C)C1CC(C1=CC=C(C=C1)OC)=NO)C=C1C(OCO1)=C2OC
|
|
| MCULE-2502550649 |
0.61 |
C12C(CCN(C)C1CC(C1C=CC(=CC=1)C)=NO)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9314673020 |
0.61 |
O(C)C1C(C[C@@]23C4=C(C(=CC=C4C[C@@H]([C@@H]2C=1)N(C)CC3)OC)O)=O
|
|
| MCULE-2306573779 |
0.61 |
[H][C@@]12C=C(C(=O)C[C@@]31CCN(C)[C@@]2([H])CC1C3=C(C(=CC=1)OC)O)OC
|
|
| MCULE-3726900481 |
0.61 |
[C@@]123CC[NH+](C)[C@@H](CC4C=CC(OC)=C([O-])C1=4)[C@@]2([H])C=C(C(=O)C3)OC
|
|
| MCULE-6596442022 |
0.61 |
C1(OC)C=CC2C[C@@H]3N(C)CC[C@]4(CC(=O)C(OC)=C[C@@]43[H])C=2C=1O
|
|
| MCULE-7479438117 |
0.61 |
COC1C(=O)CC23CCN(C)C(CC4C=CC(OC)=C(O)C=42)C3C=1
|
|
| MCULE-7401691939 |
0.61 |
Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
|
|
| MCULE-9954073702 |
0.61 |
Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
|
|
| MCULE-5445689526 |
0.61 |
[C@]1(O)(C2=CC=CC=C2)CCN([C@]2([H])CCCC[C@]12[H])CC1=CC(OC)=C2C(OCO2)=C1
|
|
| MCULE-7105415085 |
0.61 |
C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@H](CC(C)C)[C@@H](O)C1)[H])OC
|
|
| MCULE-6498289847 |
0.61 |
C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@@H](CC(C)C)[C@@H](C1)O)[H])OC
|
|
| MCULE-1446120151 |
0.61 |
[C@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
|
|
| MCULE-9667743097 |
0.61 |
[C@@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
|
|
| MCULE-8869289292 |
0.61 |
COC1=C2C(OCO2)=CC(CN2CC3=C(C=CC=C3)C(O)CC2)=C1
|
|
| MCULE-7105035945 |
0.61 |
[C@H]1(O)C[C@@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@H]1CC(C)C
|
|
| MCULE-1759699073 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)=CC(=C(C)C=1C)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-8419304157 |
0.61 |
C12=C(CCN(C)C1CC(=O)C=CC1C(C)=CC(=C(C)C=1C)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-3501639658 |
0.61 |
C12CNCCC1=CC1OCOC=1C=2OC
|
|
| MCULE-6113831221 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(C=C1OC)OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-7980443632 |
0.61 |
C1(OC)C=CC2[C@@H](O)C[C@]34N(C)CC[C@]3(CC=C(OC)C4=O)C=2C=1OC
|
|
| MCULE-3770420601 |
0.61 |
C12C=C(C(=CC=1C(C(C)C2(C)C)(C)C)C)C(=O)CC1[N+](C)(C)CCC2C=C3C(OCO3)=C(OC)C1=2.[I-]
|
|
| MCULE-4721308744 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC(C(C)(C)C)=CC3C(CCC1=3)(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-5543469571 |
0.61 |
[NH2+]1C2(CCCC2)CC2=C(C=C(C(OC)=C2)OC)C1CC=C.[Cl-]
|
|
| MCULE-4573182060 |
0.61 |
N12CCC(=O)CC1CC1=CC3OCOC=3C=C1C2
|
|
| MCULE-5520365684 |
0.61 |
C12=C(CCN(C)C1CC(=O)C1=CC=C(C=C1)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-8269097952 |
0.61 |
C12C(CCN(C)C1C1CC3=C(C=C(C(OC)=C3)OC)C1=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-7622013095 |
0.61 |
C12C(CCN(C)C1CC(CC1C=CC(=CC=1)OC)=NO)=CC1=C(OCO1)C=2OC
|
|
| MCULE-5120562326 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(F)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-5657043131 |
0.61 |
C12OCOC1=CC(CNC1CCCC3C=CC=CC1=3)=CC=2OC
|
|
| MCULE-4329069336 |
0.61 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)=CC(=C(C)C=1C)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-8004346723 |
0.61 |
C12=C(CCN(C)C1C(C(=O)C(F)(F)F)C(=O)C(F)(F)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-3054228247 |
0.61 |
Cl.C12CNCCC1=CC1OCOC=1C=2OC
|
|
| MCULE-1205902978 |
0.61 |
C12=C(CCN(C)C1CC(=O)CC(O)C1C=CC=CN=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-9076009821 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-9949254825 |
0.61 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=CC=1)Br)C=C1C(OCO1)=C2OC
|
|
| MCULE-1433743784 |
0.61 |
COC1C2=C(OCO2)C=C2C=1CN(C(C)C)CC2O
|
|
| MCULE-5131661097 |
0.61 |
C12CN(C(C)(C)C)CC(O)C1=CC1OCOC=1C=2OC
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| MCULE-5635659244 |
0.61 |
CCN1CC(O)C2=CC3=C(C(OC)=C2C1)OCO3
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| MCULE-7332159014 |
0.61 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC(C(C)(C)C)=CC3C(CCC1=3)(C)C)C=C1C(OCO1)=C2OC
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| MolPort-002-513-191 |
0.61 |
COC1=C2C(CC(=O)CC(O)C3=NC=CC=C3)N(C)CCC2=CC2=C1OCO2
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| MolPort-002-513-243 |
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COC1=C2C(CC(=O)C3=CC=C(Br)C=C3)N(C)CCC2=CC2=C1OCO2
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| MolPort-002-521-120 |
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COC1=C2C(CC(=O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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| MolPort-000-746-179 |
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[I-].COC1=C2C(CC(=O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
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| MolPort-002-514-928 |
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COC1=C2C(CC(=NO)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
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| MolPort-046-693-204 |
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COC1=C(O)C=C2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3C2=C1
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| MolPort-000-739-119 |
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[I-].COC1=C2C(CC(=O)C3=CC=C(F)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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| MolPort-002-513-196 |
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COC1=CC=C(C\C(CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=N/O)C=C1OC
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| MolPort-002-513-163 |
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COC1=CC=CC(C\C(CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=N/O)=C1
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| MolPort-009-757-539 |
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Cl.COC1=CC2=C(C=C1OC)[C@@]1(CCC(O)CC1)CN(C)C2
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CC(=O)O[C@H]1CC2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1OC(C)=O
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| MolPort-002-513-123 |
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COC1=C2C(CC(=O)C3=CC=C4CCC5=C4C3=CC=C5)N(C)CCC2=CC2=C1OCO2
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COC1=C(OC)C2=C(C[C@H]3N(CCC4=CC5=C(OCO5)C=C34)C2)C=C1
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| MolPort-000-516-084 |
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COC1=CC(C(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C(OC)C=C1
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COC1=CC=C2C[C@@H]3N(CCC4=C3C=C3OCOC3=C4)CC2=C1OC
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| MolPort-000-835-724 |
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[I-].COC1=C2C(CC(=O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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| MolPort-046-680-186 |
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[2H]C1N2CCC3=C(C=C4OCOC4=C3)C2([2H])C([2H])C2=CC=C(OC)C(OC)=C12
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| MolPort-001-728-057 |
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COC1=C(OC)C2=C(CC3N(CCC4=CC5=C(OCO5)C=C34)C2)C=C1
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COC1=C2C(CC(=O)C3=CC=C(N)C=C3)N(C)CCC2=CC2=C1OCO2
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| MolPort-002-513-169 |
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COC1=CC(C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=C(OC)C=C1
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| MolPort-002-522-109 |
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COC1=C2C(CC(=O)C3=CC=C4CCC5=C4C3=CC=C5)[N+](C)(C)CCC2=CC2=C1OCO2
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| MolPort-002-513-184 |
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COC1=CC=C(C=C1)C(\CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12)=N/O
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| MolPort-002-515-236 |
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COC1=C2C(C\C(=N\O)C3=CC=C(C)C=C3)N(C)CCC2=CC2=C1OCO2
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|
| MolPort-002-507-299 |
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COC1=C[C@@H]2[C@@H]3CC4=C(C(O)=C(OC)C=C4)[C@]2(CCN3C)CC1=O
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|
| MolPort-004-955-153 |
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COC1=CC2C3CC4=C(C(O)=C(OC)C=C4)C2(CCN3C)CC1=O
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|
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COC1=C2C(CC(=NO)C3=CC=C(C)C=C3)N(C)CCC2=CC2=C1OCO2
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|
| MolPort-020-180-692 |
0.60 |
Cl.COC1=CC=C(CCCN2CC3=C(C=C(OC)C(OC)=C3)C3(CCCCC3)C2)C=C1OC
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|
| MolPort-039-052-541 |
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CO[C@@H]1C[C@]23N(CC=C2C=C1)CCC1=CC(OC)=C(OC)C=C31
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Cl.COC1=CC2=C(C=C1OC)C1(CCCCC1)CN(CCCC1=CC=CC=C1)C2
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[I-].CC(=O)O[C@H]1CC2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1OC(C)=O
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[I-].CC(=O)O[C@H]1C[C@H]2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1OC(C)=O
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COC1=C2C(C(C#N)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
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COC1=C2C(CC(=O)C3=CC=C(Cl)C=C3)N(C)CCC2=CC2=C1OCO2
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|
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0.60 |
[Br-].COC1=C2C(CC(=O)C3=CC=C4CCC5=C4C3=CC=C5)[N+](C)(C)CCC2=CC2=C1OCO2
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|
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Cl.COC1=C2C(CC(=O)C3=CC=C(Cl)C=C3)N(C)CCC2=CC2=C1OCO2
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|
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[I-].COC1=CC(C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=C(OC)C=C1
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|
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COC1=C2C(CC(=O)C3=CC=C(Cl)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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|
| MolPort-000-699-103 |
0.60 |
[Cl-].COC1=C2C(CC(=O)C3=CC=C(Cl)C=C3)[NH+](C)CCC2=CC2=C1OCO2
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|
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0.60 |
Cl.COC1=C(OC)C2=C(CC3N(CCC4=C3C=C3OCOC3=C4)C2)C=C1
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|
| MolPort-000-766-275 |
0.60 |
[Cl-].COC1=CC2[C@@H]3CC4=C(C(O)=C(OC)C=C4)C2(CC[NH+]3C)CC1=O
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|
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0.60 |
Cl.COC1=C[C@@H]2[C@H]3CC4=CC=C(OC)C(O)=C4[C@]2(CCN3C)CC1=O
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|
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Cl.COC1=C[C@@H]2C3CC4=C(C(O)=C(OC)C=C4)[C@]2(CCN3C)CC1=O
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|
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0.60 |
Cl.COC1=C[C@@H]2C3CC4=CC=C(OC)C(O)=C4[C@@]2(CCN3C)CC1=O
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|
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COC1=C2C(C\C(=N\O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
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|
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0.60 |
COC1=C(C\C(CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=N/O)C=CC=C1
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|
| MolPort-008-155-948 |
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CN1CC2=C(C=CC3=C2OCO3)[C@@]2(C)[C@H](CC3=CC4=C(OCO4)C=C3[C@@H]12)OC(C)=O
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|
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0.60 |
Cl.COC1=C[C@@H]2[C@@H]3CC4=C(C(O)=C(OC)C=C4)[C@]2(CCN3C)CC1=O
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CN1CC2=C(C=CC3=C2OCO3)C2(C)C(CC3=CC4=C(OCO4)C=C3C12)OC(C)=O
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|
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0.60 |
[I-].COC1=C2C(CC(=O)C3=CC=C(Cl)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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COC1=C2OCOC2=C(CN)C2=C1CN(C)CC2
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|
| MolPort-005-910-955 |
0.60 |
COC1=C2C(C#N)N(C)CCC2=CC2=C1OCO2
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|
| MCULE-9348625348 |
0.60 |
C1(OC)C=C2CCN3CC=C4[C@@]3(C[C@@H](OC)C=C4)C2=CC=1OC
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|
| MCULE-7252269771 |
0.60 |
C12CN(C)CC(O)C1=CC1OCOC=1C=2OC
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|
| MCULE-4496998604 |
0.60 |
C12=C(CCN(C)C1C(C1C=CC=CC=1)C#N)C=C1C(OCO1)=C2OC
|
|
| MCULE-2637613526 |
0.60 |
[Br-].C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC3=C4C(=CC=CC=14)CC3)C=C1C(OCO1)=C2OC
|
|
| MCULE-4257770613 |
0.60 |
C12C(CCN(C)C1CC(=O)C1C=CC(=CC=1)Cl)=CC1=C(OCO1)C=2OC
|
|
| MCULE-1944276895 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(Cl)C=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-2272282396 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
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|
| MCULE-7950390491 |
0.60 |
Cl.C12CNCCC1=CC(OC)=C1OCOC1=2
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|
| MCULE-6524054120 |
0.60 |
CC(OC1C2(C)C3C=CC4OCOC=4C=3CN(C)C2C2C(=CC3OCOC=3C=2)C1)=O
|
|
| MCULE-9847283383 |
0.60 |
Cl.[C@@]123CCN(C)[C@@H](CC4C=CC(OC)=C(O)C1=4)[C@@]2([H])C=C(OC)C(=O)C3
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|
| MCULE-2476862887 |
0.60 |
Cl.C1(OC)C=CC2C[C@@H]3N(C)CC[C@]4(CC(=O)C(OC)=C[C@@]43[H])C=2C=1O
|
|
| MCULE-8245880204 |
0.60 |
C1=CC2[C@@]3(C)[C@@H](OC(=O)C)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
|
|
| MCULE-2514625020 |
0.60 |
C12=C(CCN(C)C1CC(CC1=CC=CC=C1OC)=NO)C=C1C(OCO1)=C2OC
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|
| MCULE-7091894269 |
0.60 |
Cl.O(C)C1C(C[C@@]23C4=C(C(=CC=C4C[C@@H]([C@@H]2C=1)N(C)CC3)OC)O)=O
|
|
| MCULE-1060140243 |
0.60 |
CC(=O)O[C@@H]1[C@@]2(C)[C@@](N(CC3C4OCOC=4C=CC=32)C)([H])C2C(=CC3=C(C=2)OCO3)C1
|
|
| MCULE-5371055774 |
0.60 |
COC1C=C(CNCC2CC=CCC2)C=C2C=1OCO2
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|
| MCULE-4516621018 |
0.60 |
C12C(C#N)N(C)CCC1=CC1=C(OCO1)C=2OC
|
|
| MCULE-9351794057 |
0.60 |
C12CN(CCC1=C(CN)C1=C(OCO1)C=2OC)C
|
|
| MCULE-2925081156 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=C(Cl)C=C1)C=C1C(OCO1)=C2OC.[I-]
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|
| MCULE-7440917733 |
0.60 |
C12=C(CCN(C)C1CC(=NO)C1C=CC=CC=1O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1438130474 |
0.60 |
COC1C2=C(OCO2)C2CN(CC(O)C=2C=1)CC1C=CC=CC=1
|
|
| MCULE-7411451677 |
0.60 |
C1(OC)C=C2CCN3CC4C5OCOC=5C=CC=4CC3C2=CC=1OC
|
|
| MCULE-5656969981 |
0.60 |
C1C(OC)=C(OC)C=C2C=1CCN1CC3C4OCOC=4C=CC=3[C@H](C)[C@]21[H]
|
|
| MCULE-9251664006 |
0.60 |
COCCCN1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1
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|
| MCULE-4946927975 |
0.60 |
C12=C(CCN(C)C1CC(=NO)C(F)(F)F)C=C1C(OCO1)=C2OC
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|
| MCULE-1774798781 |
0.60 |
C12OCOC1=CC(CN1CCC3=C(C=C(C(OC)=C3)OC)C1)=CC=2OC
|
|
| MCULE-9165281016 |
0.60 |
C12C(CCN(C)C1C(C(OCC)=O)C(OCC)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-1154213143 |
0.60 |
C12CN(C)CC(O)C1=CC(OC)=C1OCOC1=2
|
|
| MCULE-1818050283 |
0.60 |
[NH+]1(CCCCC[NH+]2CC3C=C(OC)C(=CC=3C3(CCCC3)C2)OC)CC2C=C(OC)C(=CC=2C2(CCCC2)C1)OC
|
|
| MCULE-1785892074 |
0.60 |
C12=C(CCN(C)C1CC(C1C=CN=CC=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3662198345 |
0.60 |
C12C(CCN(C)C1CC(=O)C1C=CC(=CC=1)C=CC1C=CC=CC=1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-7355939835 |
0.60 |
C12=C(CCN(C)C1CC(=NO)C1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
