| MolPort-046-597-999 |
0.82 |
CC(=O)O[C@H]1CC2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1OC(C)=O
|
|
| MolPort-009-758-349 |
0.82 |
[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
|
|
| MolPort-000-710-663 |
0.82 |
[I-].CC(=O)O[C@H]1CC2CC[N+]3(C)CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1OC(C)=O
|
|
| MolPort-002-526-469 |
0.76 |
O[C@H]1C[C@H]2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-035-668-917 |
0.76 |
OC1CC2CCN3CC4=C(C=C5OCOC5=C4)C([C@H]23)[C@H]1O
|
|
| MolPort-046-594-236 |
0.76 |
OC1CC2CCN3CC4=CC5=C(OCO5)C=C4C(C23)C1O
|
|
| MolPort-044-179-667 |
0.76 |
O[C@H]1CC2CCN3CC4=C(C=C5OCOC5=C4)[C@@H](C23)[C@@H]1O
|
|
| MCULE-3609746722 |
0.76 |
C12([H])C(O)C(O)CC3CCN(CC4=CC5OCOC=5C=C14)C23[H]
|
|
| MCULE-9694482286 |
0.76 |
[C@H]1(O)C[C@@]2([H])CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
|
|
| MolPort-002-520-180 |
0.74 |
COC1=C2C(CC(O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-696 |
0.74 |
COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-725-791 |
0.74 |
[OH-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-698-521 |
0.74 |
[I-].COC1=C2C(CC(O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-483 |
0.72 |
COC1=CC=CC(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C1
|
|
| MCULE-5907992453 |
0.72 |
C12=C(CCN(C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6524054120 |
0.72 |
CC(OC1C2(C)C3C=CC4OCOC=4C=3CN(C)C2C2C(=CC3OCOC=3C=2)C1)=O
|
|
| MCULE-1060140243 |
0.72 |
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-8245880204 |
0.72 |
C1=CC2[C@@]3(C)[C@@H](OC(=O)C)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
|
|
| MCULE-2028522222 |
0.72 |
C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3411300988 |
0.72 |
C12=C(CCN(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC
|
|
| MolPort-002-514-289 |
0.72 |
COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-000-834-329 |
0.72 |
COC1=C2C(CC(O)CC3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-516-922 |
0.72 |
COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-008-155-948 |
0.72 |
CN1CC2=C(C=CC3=C2OCO3)[C@@]2(C)[C@H](CC3=CC4=C(OCO4)C=C3[C@@H]12)OC(C)=O
|
|
| MolPort-046-594-373 |
0.72 |
CN1CC2=C(C=CC3=C2OCO3)C2(C)C(CC3=CC4=C(OCO4)C=C3C12)OC(C)=O
|
|
| 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
|
|
| MolPort-000-745-031 |
0.71 |
[Cl-].COC1=CC=C(CC(O)CC2[NH+](C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-009-757-991 |
0.71 |
Cl.COC1=CC=C(CC(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-000-717-312 |
0.71 |
[I-].COC1=C2C(CC(O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-831-098 |
0.71 |
[Br-].COC1=CC(CCC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)=CC=C1O
|
|
| MolPort-046-762-432 |
0.71 |
O[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](NC(=O)C3=C(O)C4=C(OCO4)C=C23)[C@@H]1O
|
|
| MCULE-3528726804 |
0.71 |
C12=C(CC[NH+](C)C1CC(O)CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC.[Cl-]
|
|
| MCULE-5660778036 |
0.71 |
C12=C(CC[N+](C)(C)C1CC(O)CCC1C=CC(=C(OC)C=1)O)C=C1C(OCO1)=C2OC.[Br-]
|
|
| MolPort-002-518-995 |
0.71 |
COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-000-752-271 |
0.70 |
[Br-].COC1=C(CC(O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-046-596-509 |
0.70 |
COC1=C2C(CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-526-039 |
0.70 |
COC1=C2[C@H](CC(O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-137 |
0.70 |
COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-9318246296 |
0.70 |
C12=C(CCN(C)C1CC(O)C(C)C)C=C1C(OCO1)=C2OC
|
|
| MolPort-000-698-309 |
0.70 |
[I-].COC1=C2C(CC(O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-5788232203 |
0.69 |
C1=CC2C3([H])C(O)CC4=CC5OCOC=5C=C4C3([H])N(C)CC=2C(OC)=C1OC
|
|
| MolPort-002-514-217 |
0.68 |
COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-742-071 |
0.68 |
CN1CC2=C(C=CC3=C2OCO3)[C@H]2[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
|
|
| MolPort-046-158-499 |
0.68 |
CN1CC2=C3OCOC3=CC=C2[C@@H]2[C@H](O)CC3=C(C=C4OCOC4=C3)[C@H]12
|
|
| MolPort-020-005-766 |
0.68 |
CN1CC2=C(C=CC3=C2OCO3)[C@@]2(C)[C@@H](O)CC3=C(C=C4OCOC4=C3)[C@@H]12
|
|
| MolPort-046-594-424 |
0.68 |
CN1CC2=C(C=CC3=C2OCO3)C2(C)C(O)CC3=CC4=C(OCO4)C=C3C12
|
|
| MolPort-002-514-373 |
0.68 |
COC1=C2C(CC(C)O)N(C)CCC2=CC2=C1OCO2
|
|
| MCULE-7728607823 |
0.68 |
C12C(O)CC3C(=CC4=C(OCO4)C=3)C1N(CC1=C3C(OCO3)=CC=C12)C
|
|
| MCULE-4289242615 |
0.68 |
CN1[C@@]2([H])[C@]([H])([C@@H](O)CC3C2=CC2OCOC=2C=3)C2C=CC3OCOC=3C=2C1
|
|
| MCULE-9582795993 |
0.68 |
C1=C2OCOC2=C2C(=C1)[C@@]1([H])[C@@H](O)CC3C=C4OCOC4=CC=3[C@@]1([H])N(C)C2
|
|
| MCULE-9646553011 |
0.68 |
C1=CC2[C@@]3(C)[C@@H](O)CC4C=C5OCOC5=CC=4[C@@]3([H])N(C)CC=2C2OCOC1=2
|
|
| MCULE-2217428265 |
0.68 |
CC12C3C=CC4OCOC=4C=3CN(C)C1C1C(=CC3OCOC=3C=1)CC2O
|
|
| MCULE-4012425697 |
0.68 |
C12=C(CCN(C)C1CC(C1=CC=CC=C1)OC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-8730131893 |
0.68 |
C12=C(CCN(C)C1CC(C)O)C=C1C(OCO1)=C2OC
|
|
| MolPort-002-514-890 |
0.68 |
COC1=C2C(CC(OC(C)=O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-731-251 |
0.68 |
[I-].COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-793-208 |
0.68 |
Cl.CN1CC2=C3OCOC3=CC=C2[C@H]2[C@@H](O)CC3=CC4=C(OCO4)C=C3[C@@H]12
|
|
| 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-002-514-879 |
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-000-719-611 |
0.67 |
[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-002-514-624 |
0.67 |
COC1=C2C(CC(O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-769 |
0.67 |
COC1=C2C(CC(O)C3=CC=CC=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-002-513-248 |
0.67 |
COC1=C2C(CC(=O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-6347733673 |
0.67 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-8781608015 |
0.67 |
C12=C(CCN(C)C1CC(O)C1C=CC=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-1105978207 |
0.67 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-1872782088 |
0.67 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-6277168833 |
0.67 |
C12=C(CCN(C)C1CC(O)C(F)(F)F)C=C1C(OCO1)=C2OC
|
|
| MolPort-000-720-730 |
0.67 |
[I-].COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-869 |
0.67 |
COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-514-170 |
0.67 |
COC1=CC=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-696-516 |
0.67 |
[I-].COC1=C2C(CC(=O)C3CCOC(C)(C)C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-277 |
0.67 |
COC1=C2C(CC(O)C(F)(F)F)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-720-053 |
0.67 |
[I-].COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-514-872 |
0.67 |
COC1=C2C(CC(O)C3=CC=C(CC(C)C)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-707-970 |
0.66 |
[I-].COC1=C2C(CC(O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-662 |
0.66 |
COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-947 |
0.66 |
COC1=CC(=CC(OC)=C1OC)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-514-020 |
0.66 |
COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-287 |
0.66 |
COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MCULE-2156282825 |
0.66 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)CC(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-3623977626 |
0.66 |
C12=C(CCN(C)C1CC(O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3935956997 |
0.66 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-5876741895 |
0.66 |
[I-].C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MolPort-009-758-012 |
0.66 |
Cl.COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-734-784 |
0.66 |
[Cl-].COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-949 |
0.66 |
COC1=C2C(CC(O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-757-955 |
0.66 |
I.COC1=C(OC)C=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-827-286 |
0.66 |
[I-].COC1=C(OC)C=C(C=C1)C(O)CC1[NH+](C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-743-610 |
0.66 |
[I-].COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-514-606 |
0.66 |
COC1=CC(OC)=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-000-729-408 |
0.66 |
[I-].COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-048 |
0.65 |
COC1=C2C(CC(O)C3=CC=C(F)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-419 |
0.65 |
COC1=C2C(CC(O)C3=CC=C(F)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-523-890 |
0.65 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@@H]4CC[C@@H](C)[C@@H]5CC[C@@]6(C)O[C@H]6[C@]45OC3=O)CCC2=C1
|
|
| MolPort-002-513-109 |
0.65 |
COC1=C2C(C\C(=N\O)C3CCOC(C)(C)C3)N(C)CCC2=CC2=C1OCO2
|
|
| MCULE-1372189946 |
0.65 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-3155563993 |
0.65 |
C12=C(CCN(C)C1CC(=O)CC(OCC)=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-6248551129 |
0.65 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC.[Br-]
|
|
| MCULE-5574529686 |
0.65 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(Br)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-4508435763 |
0.65 |
C12=C(CCN(C)C1CC(O)C1C=CC(=CC=1)Br)C=C1C(OCO1)=C2OC
|
|
| MCULE-2144214276 |
0.65 |
C12=C(CCN(C)C1CC(O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
|
|
| MolPort-002-514-359 |
0.65 |
CCOC(=O)CC(=O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-522-206 |
0.65 |
COC1=C2C(CC(=O)C3CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-120 |
0.65 |
COC1=C2C(CC(=O)C3(C)CCOC3=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-100 |
0.65 |
COC1=C2C(CC(=O)C3(C)CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-234 |
0.65 |
COC1=C2C(CC(=O)C3CCOC3=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-736-462 |
0.65 |
[I-].COC1=C2C(CC(O)C3=CC=C(F)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-308 |
0.65 |
COC1=C2C(CC(O)C3=CC=C(Br)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-518-092 |
0.65 |
COC1=C2C(CC(O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-747-700 |
0.65 |
[Br-].COC1=C2C(CC(O)C3=CC=C(Br)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-529 |
0.65 |
COC1=CC(C(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C(OC)C=C1
|
|
| MolPort-009-758-272 |
0.65 |
[I-].COC1=C2C(CC(=O)C3CCOC3=O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-727-595 |
0.65 |
[I-].COC1=C2C(CC(=O)C3(C)CCOC3=O)[N+](C)(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-000-797-380 |
0.64 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(CC[C@]6(C)C5CC[C@]34C)OC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-008-362-465 |
0.64 |
COC1=CC(CN2CCCC(CO)(CC3=C(C)C=CC=C3)C2)=CC2=C1OCO2
|
|
| MolPort-002-531-374 |
0.64 |
COC1=C(OC)C=C2C(CCO)N(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MCULE-3290305628 |
0.64 |
C1[C@H](O)C[C@@H]2[C@@H](CN3[C@@H](C2)C2C(=CC4OCOC=4C=2)CC3)C1.Cl
|
|
| MCULE-2674783794 |
0.64 |
C12=C(CCN(C)C1CC(=O)C1CCC3C4C(CC[C@]13C)[C@@]1(C)CCC(CC1=CC4)OC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5665937776 |
0.64 |
C12OCOC1=CC(CN1CCCC(CO)(CC3=CC=CC=C3C)C1)=CC=2OC
|
|
| MCULE-9165281016 |
0.64 |
C12C(CCN(C)C1C(C(OCC)=O)C(OCC)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-8029878723 |
0.64 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O
|
|
| MCULE-4471227410 |
0.64 |
[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
|
|
| MCULE-9316066032 |
0.64 |
OC1C(C=C2CCN3CC4=CC5OCOC=5C=C4C1([H])C32[H])O
|
|
| MolPort-000-816-292 |
0.64 |
CCOC(=O)C(C1N(C)CCC2=CC3=C(OCO3)C(OC)=C12)C(=O)OCC
|
|
| MolPort-046-598-105 |
0.64 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-244 |
0.64 |
COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-030-042-292 |
0.63 |
OC1C=C2CCN3CC4=C(C=C5OCOC5=C4)C(C23)C1O
|
|
| MolPort-000-882-129 |
0.63 |
O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-000-838-617 |
0.63 |
[Br-].COC1=C2C(CC(=O)C3CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-758-073 |
0.63 |
[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
|
|
| MolPort-016-616-669 |
0.63 |
CCN1C[C@@H]2[C@H](C1)[C@@](CO)(CCO)N[C@@H]2C1=CC2=C(OCO2)C(OC)=C1
|
|
| MolPort-009-653-412 |
0.63 |
Cl.O[C@H]1C=C2CCN3CC4=C(C=C5OCOC5=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-000-707-381 |
0.63 |
[I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)C(C13)C1=C(C2)C=C2OCOC2=C1
|
|
| MolPort-002-513-209 |
0.63 |
COC1=CC(CCC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=CC=C1O
|
|
| MolPort-000-739-651 |
0.63 |
[I-].C[N+]12CCC3=C[C@H](O)[C@@H](O)[C@H]([C@H]13)C1=C(C2)C=C2OCOC2=C1
|
|
| MolPort-002-516-882 |
0.63 |
COC1=CC=C(CCC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-002-514-439 |
0.63 |
COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-693 |
0.63 |
COC1=CC=C(CCC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-002-513-218 |
0.63 |
COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-244 |
0.63 |
COC1=C2C(CC(=O)CCC3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-758-376 |
0.63 |
[OH-].COC1=CC2=C3[C@H](CC[C@]45CC[C@@H](O)[C@](C4)(OC)OC1=C35)[N+](C)(C)CC2
|
|
| MolPort-000-726-453 |
0.63 |
[OH-].COC1=CC2=C3[C@H](CCC45CC[C@H](O)[C@](C4)(OC)OC1=C35)[N+](C)(C)CC2
|
|
| MolPort-039-195-567 |
0.63 |
COC1=C2C(CC(=O)C34CC5CC(CC(C5)C3)C4)N(C)CCC2=CC2=C1OCO2
|
|
| MCULE-7048906339 |
0.63 |
[C@@H]12CN(C[C@@H]1[C@@](N[C@@H]2C1=CC(OC)=C2C(OCO2)=C1)(CO)CCO)CC
|
|
| MCULE-3627009950 |
0.63 |
C12=C(CCN(C)C1CC(CCC1C=CC3=C(OCO3)C=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4253336600 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(CCC1C=CC(OC)=CC=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-7347258827 |
0.63 |
C12=C(CCN(C)C1CC(CCC1C=CC(=C(OC)C=1)O)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5035620957 |
0.63 |
C12=C(CCN(C)C1CC(CCC1C=CC(=CC=1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4192923499 |
0.63 |
C12=C(CCN(C)C1CC(CCC1C=CC(=CC=1)O)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5300920464 |
0.63 |
[C@H]1(O)C=C2CCN3[C@@]2([H])[C@]([H])(C2C=C4OCOC4=CC=2C3)[C@@H]1O.Cl
|
|
| MCULE-4900852218 |
0.63 |
Cl.[C@]12([H])[C@H](O)[C@@H](O)C=C3CCN(CC4C=C5OCOC5=CC1=4)[C@@]23[H]
|
|
| MCULE-9156709024 |
0.63 |
C12C(CCN(C)C1CC(=O)C13CC4CC(CC(C4)C1)C3)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4400069664 |
0.63 |
C12=C(CCN(C)C1CC(=O)CC1N(C)CCC3C=C4C(OCO4)=C(OC)C1=3)C=C1C(OCO1)=C2OC
|
|
| MCULE-9783615335 |
0.63 |
C12=C(CC[N+](C)(C)C1CC(CCC1C=CC(OC)=CC=1)=O)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-3862251077 |
0.63 |
C12=C(CCN(C)C1CC(C(C/C=C(\C)/C)C/C=C(/C)\C)=O)C=C1C(OCO1)=C2OC
|
|
| MolPort-002-520-105 |
0.63 |
COC1=C(OC)C=C2CN(CC3[C@@H]4[C@@H](CC5=CCCC(C)[C@@]5(C)C4O)OC3=O)C(C)CC2=C1
|
|
| MolPort-000-724-870 |
0.63 |
[I-].COC1=CC=C(CCC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-000-730-695 |
0.63 |
[I-].COC1=C2C(CC(=O)CCC3=CC=C(O)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-660 |
0.63 |
COC1=C2C(CC(=O)CC3N(C)CCC4=CC5=C(OCO5)C(OC)=C34)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-005-909-587 |
0.63 |
COC1=C2C(CC(=O)C(CC=C(C)C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-108 |
0.63 |
COC1=C2C(CC(=O)C3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-128 |
0.63 |
COC1=C2C(CC(=O)CCC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-152 |
0.63 |
COC1=C2C(CC(=O)CC3CCCCCCCCCCC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-520-745 |
0.63 |
COC1=C2C(CC(=O)CC3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-236 |
0.63 |
COC1=C2C(CC(=O)C3CCCCCCCCCCC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-039-339-049 |
0.62 |
COC1=C2O[C@H]3C[C@@H](O)CC[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-002-513-630 |
0.62 |
COC1=C(OC)C=C2CN(CC3[C@H]4[C@@H]5O[C@@]55[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-046-690-333 |
0.62 |
COC1=C2O[C@@H]3C[C@@H](O)CC[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-002-515-489 |
0.62 |
COC1=C2C(CC(=O)C3CCCCC3=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-703-801 |
0.62 |
[I-].COC1=C2C(CC(=O)C3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-840-238 |
0.62 |
[Br-].COC1=C2C(CC(=O)CC3CCCCCCCCCCC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-997 |
0.62 |
CCC(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-046-764-592 |
0.62 |
Br.COC1=C2O[C@@H]3C[C@@H](O)CC[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-002-514-926 |
0.62 |
COC1=C2C(CC(=O)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-719-147 |
0.62 |
[Cl-].COC1=C(OC)C=C2C[NH+](CC3[C@H]4[C@@H]5O[C@@]55[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-009-757-920 |
0.62 |
Cl.COC1=C(OC)C=C2CN(CC3[C@H]4[C@@H]5O[C@@]55[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-002-515-458 |
0.62 |
COC1=C2C(CC(=O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-142 |
0.62 |
COC1=C2C(CC(=O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-593 |
0.62 |
COC1=C2C(CC(=O)C(C)(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-016-599-024 |
0.62 |
COC1=CC(=CC2=C1OCO2)[C@H]1N[C@@](CO)([C@H]2CN(C)C[C@@H]12)C1=CC=CC=C1
|
|
| MolPort-002-513-229 |
0.62 |
COC1=C2C(CC(=O)CCC=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-246 |
0.62 |
COC1=C2C(CC(=O)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MCULE-2801266347 |
0.62 |
C12C(CCN(C)C1CC(CCC(C)=O)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4667092841 |
0.62 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2COCCC2)=C1
|
|
| MCULE-8175727011 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(C1CCCCCCCCCCC1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2357916440 |
0.62 |
O[C@@H]1C[C@@]2([H])[C@]3(C4C(=CC=C(C=4O2)OC)CN(C)CC3)CC1
|
|
| MCULE-2533535089 |
0.62 |
[I-].C12=C(CC[N+](C)(C)C1CC(C1CCCCCCCCCCC1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1239040532 |
0.62 |
C12C(CC[N+](C)(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-4722878192 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9824572468 |
0.62 |
C12C(CCN(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-2580202854 |
0.62 |
C12=C(CCN(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4488135397 |
0.62 |
C12C(CC[N+](C)(C)C1CC(CC)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-2978404967 |
0.62 |
[C@H]12CN(C[C@H]1[C@H](N[C@]2(CO)C1C=CC=CC=1)C1=CC(OC)=C2C(OCO2)=C1)C
|
|
| MCULE-1070712624 |
0.62 |
C12=C(CCN(C)C1CC(CC/C=C(\C)/C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1468712024 |
0.62 |
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-2828804507 |
0.62 |
C12(CCN(CC1)CC1=CC(OC)=C3C(OCO3)=C1)[C@@H](OCC=C)[C@@H](C1=CC=CC=C21)NC(COC)=O
|
|
| MCULE-8407052594 |
0.62 |
[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-8294538257 |
0.62 |
C12C(CCN(C)C1CC(=O)C1(CCNCC1)C1=CC=CC=C1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-8364503034 |
0.62 |
C12C(CCN(C)C1CC(=O)CC(C)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9371937190 |
0.62 |
[I-].C12C(CC[N+](C)(C)C1CC(=O)C(C)(C)C)=CC1=C(OCO1)C=2OC
|
|
| MCULE-5267015184 |
0.62 |
[I-].C12C(CC[N+](C)(C)C1CC(CC)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-9930157051 |
0.62 |
[I-].C12=C(CC[N+](C)(C)C1CC(C(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-8849001595 |
0.62 |
N[C@H](C(=O)O[C@@H]1C[C@@]2([H])N(CCC3C2=CC(OC)=C(OC)C=3)C[C@H]1CC(C)C)C(C)C
|
|
| MCULE-2364583043 |
0.62 |
N[C@H](C(=O)O[C@@H]1C[C@@]2([H])N(CCC3C2=CC(OC)=C(OC)C=3)C[C@H]1CC(C)C)C(C)C
|
|
| MCULE-4071678887 |
0.62 |
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-]
|
|
| MolPort-002-513-098 |
0.62 |
COC1=C2C(CC(=O)C3=CCC4C5CC[C@H]6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-005-015-550 |
0.62 |
COCC(=O)N[C@H]1[C@H](OCC=C)C2(CCN(CC3=CC(OC)=C4OCOC4=C3)CC2)C2=C1C=CC=C2
|
|
| MolPort-044-180-872 |
0.62 |
COC1=C2C(CC(=O)C3(CCNCC3)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-506-975 |
0.62 |
COC1=C2C(CC(=O)CC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-719-711 |
0.62 |
[I-].CCC(=O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-701-087 |
0.62 |
[I-].COC1=C2C(CC(=O)C(C)(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-706-016 |
0.62 |
[I-].COC1=C2C(CC(=O)C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-515-243 |
0.62 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4[C@@H]5O[C@@]55[C@@H](C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-000-720-051 |
0.62 |
[I-].COC1=C2C(CC(=O)CCC=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-044-723-889 |
0.62 |
COC1=CC2=C(C=C1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2
|
|
| MolPort-046-426-964 |
0.62 |
COC1=C(OC)C=C2C3CC(OC(=O)C(N)C(C)C)C(CC(C)C)CN3CCC2=C1
|
|
| MolPort-000-721-313 |
0.62 |
[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
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| MolPort-009-758-113 |
0.62 |
[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-002-516-591 |
0.62 |
COC1=C2C(CC(=O)C3=CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-016-614-887 |
0.61 |
CN1C[C@@H]2[C@H](C1)[C@](CO)(N[C@@H]2C1=CC2=C(OCO2)C=C1C)C1=CC=CC=C1
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|
| MolPort-009-758-247 |
0.61 |
Br.COC1=C2C(CC(=O)CC(C)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-153-066 |
0.61 |
CO[C@H]1C=C2[C@H]3CN(CC4=CC5=C(OCO5)C=C34)[C@H]2C[C@@H]1O
|
|
| MolPort-039-111-118 |
0.61 |
CCC(=O)N[C@H]1[C@H](OCCOC)C2(CCN(CC2)C(=O)CC2=CC=C3OCOC3=C2)C2=C1C=CC=C2
|
|
| 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-028-744-724 |
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-046-418-253 |
0.61 |
COC1=C(OC)C=C2[C@H]3C[C@H](O)[C@@H](CC(C)C)CN3CCC2=C1
|
|
| MolPort-042-560-901 |
0.61 |
COC1=C(CN2CC[C@@]3(CC[C@@H](C[C@H]23)OCCO)OC)C=C2OCOC2=C1
|
|
| MolPort-002-532-692 |
0.61 |
COC1=C(OC)C=C2CN(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-002-513-141 |
0.61 |
COC1=CC(CC\C(CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=N/O)=CC=C1O
|
|
| MolPort-023-274-267 |
0.61 |
CO[C@H]1C=C2CCN3CC4=C(C=C(OC)C(OC)=C4)[C@@H]([C@@H]23)[C@@H]1O
|
|
| MolPort-002-532-258 |
0.61 |
COC1=C(OC)C=C2CN(CC3[C@H]4CC5C6(CO6)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MCULE-5124333350 |
0.61 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
| MCULE-4118612757 |
0.61 |
[C@H]12CN(C[C@H]1[C@H](N[C@]2(CO)C1C=CC=CC=1)C1=C(C)C=C2C(OCO2)=C1)C
|
|
| MCULE-8948203265 |
0.61 |
C12(CCN(CC1)C(=O)CC1C=CC3=C(OCO3)C=1)[C@@H](OCCOC)[C@@H](C1=CC=CC=C21)NC(CC)=O
|
|
| 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-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-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-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-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-3290498723 |
0.61 |
N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)CC1=CC2OCOC=2C=C1OC
|
|
| MCULE-8351086732 |
0.61 |
[C@]12([H])[C@H](O)[C@@H](OC)C=C3CCN(CC4=CC(OC)=C(OC)C=C14)[C@@]23[H]
|
|
| MCULE-2394429997 |
0.61 |
N1(CC2C=CC=CC=2)C2CCC(CC2C2=CC3OCOC=3C=C2C1=O)OCC1C=CC=CC=1
|
|
| MCULE-7547592688 |
0.61 |
C12OCOC=1C=C1C3CN(CC1=C2)C1CC(O)C(O)C=C31
|
|
| MCULE-9215268019 |
0.61 |
C12=C(CCN(C)C1CC(C)(NC=O)C(=O)CC1CCCC1)C=C1C(OCO1)=C2OC
|
|
| MCULE-1368284170 |
0.61 |
C12=C(CCN(C)C1CC(CC1C=CC=CC=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5237128595 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=CC=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9653978221 |
0.61 |
C12=C(CCN(C)C1CC(CC1=CC=C(C=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4220530900 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(OC)C=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3205404587 |
0.61 |
C12=C(CCN(C)C1CC(O)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-8224463524 |
0.61 |
C12=C(CCN(C)C1CC(CC1C=CC(=CC=1)OC(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2984419568 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(CC1C=CC(=CC=1)OC(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-3881131227 |
0.61 |
O=C(C1=C2C(OCO2)=CC=C1)N1C2C(COCC2)C(C2=CC=CC=C2)C1
|
|
| MolPort-001-924-855 |
0.61 |
COC1=CC2=C(C=C1OC)C1(CCC(O)CC1)CN(C)C2
|
|
| MolPort-019-936-918 |
0.61 |
OC1CC2N3CC(C2=CC1O)C1=CC2=C(OCO2)C=C1C3
|
|
| MolPort-002-534-148 |
0.61 |
COC1=C2C(CC(C)(NC=O)C(=O)CC3CCCC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-338 |
0.61 |
COC1=C2C(CC(=O)CC\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-878 |
0.61 |
COC1=C2C(CC(=O)CC3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-145 |
0.61 |
COC1=CC=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-002-514-777 |
0.61 |
COC1=C2C(CC(=O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-292 |
0.61 |
COC1=CC=C(CC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-046-693-204 |
0.61 |
COC1=C(O)C=C2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3C2=C1
|
|
| MolPort-002-513-304 |
0.61 |
COC1=C2C(CC(=O)CC3=CC=C(OC(C)C)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-265 |
0.61 |
COC1=C2C(CC(=O)CC3=CC=C(OC(C)C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-507-020 |
0.61 |
COC1=C2C(CC(O)=O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-780-568 |
0.61 |
COC1=CC2=C(CN(CCC3COCCO3)CC2)C=C1OC
|
|
| MolPort-009-757-539 |
0.61 |
Cl.COC1=CC2=C(C=C1OC)[C@@]1(CCC(O)CC1)CN(C)C2
|
|
| MolPort-000-827-872 |
0.61 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-002-509-545 |
0.61 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4C[C@H]5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-044-450-822 |
0.61 |
O=C(N1CC(C2COCCC12)C1=CC=CC=C1)C1=CC=CC2=C1OCO2
|
|
| MolPort-002-513-174 |
0.60 |
COC1=CC=C(CC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1OC
|
|
| MolPort-002-513-281 |
0.60 |
COC1=CC=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1OC
|
|
| MolPort-000-739-733 |
0.60 |
[I-].COC1=CC=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
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|
| MolPort-000-707-460 |
0.60 |
[I-].COC1=C2C(CC(=O)CC3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-261 |
0.60 |
COC1=C2C(CC(=O)C3CCC(C)=CC3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-195 |
0.60 |
COC1=C2C(CC(=O)C3CCC(C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-521-770 |
0.60 |
COC1=C2C(CC(=O)C3(C)CC4=C(CCCC4(C)C)CC3C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-512-755 |
0.60 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4CC5C6(CO6)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-002-527-097 |
0.60 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4C[C@H]5[C@@]6(CO6)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-046-766-053 |
0.60 |
COC1=CC=C2C(CN(C)CC2=C1)C1(O)CCCCC1
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|
| MolPort-045-927-646 |
0.60 |
COC1=C2OCOC2=CC(CN2CC[C@](O)([C@H]3CCCC[C@@H]23)C2=CC=CC=C2)=C1
|
|
| MolPort-044-565-093 |
0.60 |
COC1=C(OC)C=C2[C@H](C)N(CC3[C@H]4CC5[C@@]6(CO6)CCC[C@]5(C)C[C@H]4OC3=O)CCC2=C1
|
|
| MolPort-027-717-799 |
0.60 |
COC1=C2C(CC(=NO)C(CC=C(C)C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
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|
| MolPort-000-703-264 |
0.60 |
[I-].COC1=C2C(CC(=O)CC3=CC=C(OC(C)C)C=C3)[N+](C)(C)CCC2=CC2=C1OCO2
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|
| MolPort-002-513-299 |
0.60 |
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 |
0.60 |
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-002-521-011 |
0.60 |
COC1=C2C(C\C(=N\O)C(CC=C(C)C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-722-566 |
0.60 |
[I-].COC1=CC=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1OC
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|
| MolPort-002-513-262 |
0.60 |
COC1=C2C(C\C(=N\O)C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-520-155 |
0.60 |
COC1=C(CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=CC=C1
|
|
| MolPort-000-713-716 |
0.60 |
[I-].COC1=C2C(CC(=O)C3CCC(C)=CC3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-003-389-398 |
0.60 |
Cl.COC1=C(OC)C=C2CN(CC(O)COCC34CC5CC(CC(C5)C3)C4)CCC2=C1
|
|
| MolPort-035-705-695 |
0.60 |
CO[C@H]1C[C@]23N(C[C@H]4O[C@@]24C=C1)CCCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-002-515-208 |
0.60 |
COC1=C2C(CC(=O)C3=CC4=C(CCCC4)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-263 |
0.60 |
COC1=C(CC(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=CC=C1
|
|
| MolPort-035-705-694 |
0.60 |
CO[C@@H]1C[C@]23N(C[C@H]4O[C@@]24C=C1)CCCC1=CC(OC)=C(OC)C=C31
|
|
| MolPort-000-859-392 |
0.60 |
COC1=C2C(CC(=O)C3=C(O)C=CC(C)=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-527-813 |
0.60 |
COC1=C(O)C=C2CCN(CC3[C@H]4C[C@H]5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)[C@H](C)C2=C1
|
|
| MolPort-000-723-731 |
0.60 |
[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-002-536-371 |
0.60 |
COC1=C(O)C=C2CCN(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)[C@@H](C)C2=C1
|
|
| MolPort-002-518-962 |
0.60 |
COC1=C(O)C=C2CCN(CC3[C@H]4CC5C(=C)CCC[C@]5(C)C[C@H]4OC3=O)[C@H](C)C2=C1
|
|
| MolPort-002-513-225 |
0.60 |
COC1=C2C(CC(=O)C3=C(O)C=CC(C)=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-2252449891 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(CC1=CC=CC=C1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-6262377897 |
0.60 |
C12=C(CCN(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-4135055702 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(OC)C=C1)=O)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-8473723087 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1210210850 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-5445689526 |
0.60 |
[C@]1(O)(C2=CC=CC=C2)CCN([C@]2([H])CCCC[C@]12[H])CC1=CC(OC)=C2C(OCO2)=C1
|
|
| MCULE-3433894148 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(CC1C=CC(=CC=1)OC(C)C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-7542405721 |
0.60 |
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-4424541265 |
0.60 |
C12C(CCN(C)C1CC(C(C/C=C(/C)\C)C/C=C(\C)/C)=NO)=CC1=C(OCO1)C=2OC
|
|
| MCULE-1157429162 |
0.60 |
[C@H]12COC(=O)[C@@H]1[C@@H](C1=CC3OCOC=3C=C1[C@H]2NC(CC1C=CC=CC=1)=O)C1=CC(=C(OC)C(OC)=C1)OC
|
|
| MCULE-7175585320 |
0.60 |
C12(C)CCC(CC1OCC(O)CN1CCC3=C(C=C(C(OC)=C3)OC)C1)C2(C)C
|
|
| MCULE-7192651058 |
0.60 |
N1(CCC2=C(C1)C=C(C(OC)=C2)OC)CC(COCC1CC2CC1CC2)O
|
|
| MCULE-2853173462 |
0.60 |
C12=C(CCN(C)C1CC(C(C)C)=NO)C=C1C(OCO1)=C2OC
|
|
| MCULE-5348350150 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-2530138460 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(CC1=CC=C(C(OC)=C1)OC)=O)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-3070154615 |
0.60 |
C12=C(CCN(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-4851406858 |
0.60 |
C12C(CCN(C)C1CC(=O)C1C=CC3=C(CCCC3)C=1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-1667452497 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1CCC(=CC1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-5634444264 |
0.60 |
C1(OC)C=C2CCCN3C[C@H]4O[C@]54[C@]3(C2=CC=1OC)C[C@H](OC)C=C5
|
|
| MCULE-8055874857 |
0.60 |
C1(OC)C=C2CCCN3C[C@H]4O[C@]54[C@]3(C2=CC=1OC)C[C@@H](OC)C=C5
|
|
| MCULE-7012499883 |
0.60 |
C12=C(CCN(C)C1CC(=O)C1C=C(C)C=CC=1O)C=C1C(OCO1)=C2OC
|
|
| MCULE-6025936245 |
0.60 |
[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-4172303877 |
0.60 |
C12C(CCN(C)C1CC(C)=O)=CC1=C(OCO1)C=2OC
|
|
| MCULE-5148542802 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-6599095599 |
0.60 |
C12=C(CCN(C)C1CC(=O)C1CCC(=CC1)CC/C=C(/C)\C)C=C1C(OCO1)=C2OC
|
|
| MCULE-9068899112 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)CC1=CC=CC=C1OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-6514716530 |
0.60 |
Cl.N1(CCC2=C(C1)C=C(C(OC)=C2)OC)CC(COCC1CC2CC1CC2)O
|
|
| MCULE-7011532507 |
0.60 |
C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
|
|
| MCULE-4040643278 |
0.60 |
C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
|
|
| MCULE-7352810009 |
0.60 |
C12=C(CCN(C)C1CC(=O)CCN1C=CC=N1)C=C1C(OCO1)=C2OC
|
|
| MCULE-2879546752 |
0.60 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=C(C)C=1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-2489132875 |
0.60 |
C1(O)(CCN(CC2=CC(OC)=C3C(OCO3)=C2)C1)C1C=CC=CC=1C
|
|
| MCULE-7540454870 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5473096762 |
0.60 |
Cl.C12=C(CCN(C)C1CC(C)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9099290556 |
0.60 |
C12C=C(OC)C(=CC=1CN(CCC(C1=CC=CC=C1)C1C=CC=CC=1O)CC12CCOCC1)OC
|
|
| MCULE-9851848354 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2)CC(COCC2OCCC2)O)=C1
|
|
| MCULE-5723695876 |
0.60 |
C1(CN2CCC3(CC2)CC(CO3)O)=CC2OCOC=2C=C1OC
|
|
