| MCULE-9623052715 |
0.82 |
N1(C)C(CC2C=CC(OC)=C(OCC3C=CC=CC=3)C=2)C2C(OC)=C(OCC3C=CC=CC=3)C(OC)=CC=2CC1
|
|
| MCULE-2205423638 |
0.81 |
C12OC3=CC(=CC4CCN(C)[C@@H](CC5=CC=C(C=C5)OC5=C(C=CC(=C5)C[C@@H]5N(C)CCC(C=C(OC)C=1OC)=C25)OC)C3=4)OC
|
|
| MolPort-005-938-503 |
0.80 |
COC1=C2OC3=C4C(CC5=CC=C(O)C(OC6=CC=C(CC7N(C)CCC(=C1)C7=C2)C=C6)=C5)N(C)CCC4=CC(OC)=C3OC
|
|
| MolPort-000-763-034 |
0.80 |
COC1=CC=C2C[C@@H]3N(C)CCC4=CC(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-042-676-320 |
0.80 |
COC1=CC=C2CC3N(C)CCC4=C3C(OC3=CC5=C(CCN(C)C5CC5=CC=C(OC1=C2)C=C5)C=C3OC)=C(O)C(OC)=C4
|
|
| MolPort-000-775-751 |
0.80 |
COC1=CC=C2CC3N(C)CCC4=CC(OC)=C(OC)C(OC5=CC6=C(C=C5OC)C(CC5=CC=C(OC1=C2)C=C5)N(C)CC6)=C34
|
|
| MolPort-000-772-054 |
0.80 |
COC1=C2OC3=C4C(CC5=CC=C(OC6=CC(CC7N(C)CCC(=C1)C7=C2)=CC=C6O)C=C5)N(C)CCC4=CC(OC)=C3OC
|
|
| MolPort-001-728-226 |
0.80 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC)C(OC5=CC6=C(C=C5OC)[C@H](CC5=CC=C(OC1=C2)C=C5)N(C)CC6)=C34
|
|
| MolPort-001-728-239 |
0.80 |
COC1=C2OC3=C4[C@@H](CC5=CC=C(O)C(OC6=CC=C(C[C@@H]7N(C)CCC(=C1)C7=C2)C=C6)=C5)N(C)CCC4=CC(OC)=C3OC
|
|
| MolPort-020-005-723 |
0.80 |
COC1=CC2=C3C=C1OC1=C4[C@H](CC5=CC(OC6=CC=C(C[C@@H]3N(C)CC2)C=C6)=C(OC)C=C5)N(C)CCC4=CC(OC)=C1O
|
|
| MolPort-020-005-708 |
0.80 |
COC1=CC2=C3C=C1OC1=C4[C@@H](CC5=CC(OC6=CC=C(C[C@@H]3N(C)CC2)C=C6)=C(OC)C=C5)N(C)CCC4=CC(OC)=C1O
|
|
| MolPort-001-728-135 |
0.80 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-001-728-118 |
0.80 |
COC1=C2OC3=C4[C@H](CC5=CC=C(OC6=CC(C[C@H]7N(C)CCC(=C1)C7=C2)=CC=C6O)C=C5)N(C)CCC4=CC(OC)=C3OC
|
|
| MolPort-044-193-374 |
0.80 |
COC1=C2OC3=CC=C(CC4N(C)CCC5=CC(OC)=C(OC6=C7C(CC(C=C1)=C2)N(C)CCC7=CC(OC)=C6OC)C=C45)C=C3
|
|
| MCULE-5037968497 |
0.80 |
C12CCN(C)[C@@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(O)C(OC)=C1)C=23)C=C65)C(OC)=CC=4
|
|
| MCULE-4873661091 |
0.80 |
C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(O)C(OC)=C1)C=23)C=C65)C(OC)=CC=4
|
|
| MCULE-6247921386 |
0.80 |
C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(OC)C(OC)=C1)C=23)C=C65)C(O)=CC=4
|
|
| MCULE-8373478754 |
0.80 |
C12C(OC)=C(OC)C=C3CCN(C)C([H])(CC4C=CC(=C(OC5=CC=C(C=C5)CC5([H])N(CCC6=C5C=C(C(OC)=C6)O1)C)C=4)OC)C=23
|
|
| MCULE-2321012187 |
0.80 |
C12=C(OC)C(OC)=CC3CCN(C)[C@@]([H])(CC4=CC=C(C=C4)OC4C(O)=CC=C(C[C@@]5([H])N(CCC6C5=CC(=C(OC)C=6)O1)C)C=4)C2=3
|
|
| MCULE-1397105564 |
0.80 |
C12C(OC)=C(OC)C=C3CCN(C)C(CC4=CC=C(C(OC5C=CC(=CC=5)CC5N(C)CCC6C=C(C(OC)=CC=65)O1)=C4)OC)C=23
|
|
| MCULE-2548279289 |
0.80 |
C12C(OC)=C(OC)C=C3CCN(C)[C@@]([H])(CC4C=CC(=C(OC5=CC=C(C=C5)C[C@]5([H])N(CCC6=C5C=C(C(OC)=C6)O1)C)C=4)OC)C=23
|
|
| MCULE-8890424200 |
0.80 |
C12C(OC)=C(OC)C=C3CCN(C)[C@]([H])(CC4C=CC(=C(OC5=CC=C(C=C5)C[C@]5([H])N(CCC6=C5C=C(C(OC)=C6)O1)C)C=4)OC)C=23
|
|
| MCULE-1926626409 |
0.80 |
C12C(OC)=C(OC)C=C3CCN(C)[C@]([H])(CC4=CC=C(C(OC5C=CC(=CC=5)C[C@@]5(N(C)CCC6C=C(C(OC)=CC=65)O1)[H])=C4)OC)C=23
|
|
| MCULE-7779971171 |
0.80 |
C12CCN(C)[C@@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(OC)C(OC)=C1)C=23)C=C65)C(OC)=CC=4
|
|
| MCULE-6327057075 |
0.80 |
C12=C(OC)C(OC)=CC3CCN(C)C(CC4=CC=C(C=C4)OC4C(O)=CC=C(CC5N(CCC6C5=CC(=C(OC)C=6)O1)C)C=4)C2=3
|
|
| MCULE-1680809407 |
0.80 |
C1CC2C=C(OC)C(OC)=C3OC4C(OC)=CC5CCN(C)C(CC6C=CC(OC7=CC(=CC=C7O)CC(C=23)N1C)=CC=6)C=5C=4
|
|
| MCULE-5816428628 |
0.80 |
C12[C@@H]3N(CCC=1C=C(OC)C(OC)=C2OC1C(OC)=CC2CCN(C)[C@@H](CC4C=CC(=CC=4)OC4=C(O)C=CC(=C4)C3)C=2C=1)C
|
|
| MCULE-6334861355 |
0.80 |
C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(OC)C(OC)=C1)C=23)C=C65)C(OC)=CC=4
|
|
| MCULE-7264526897 |
0.80 |
O1C2=C(C=C3CCN(C)[C@H](CC4=CC=C(C=C4)OC4C(=CC=C(C=4)C[C@H]4C5=C1C(=C(C=C5CCN4C)OC)OC)OC)C3=C2)OC
|
|
| MCULE-6586418456 |
0.80 |
C1(OCC2C=CC=CC=2)C(OCC2C=CC=CC=2)=C(OC)C2C(NCCC=2C=1)CC1C=C(OC)C(OCC2C=CC=CC=2)=CC=1
|
|
| MCULE-9574668792 |
0.80 |
C12=C3CCN(C)[C@@H]1CC1C=CC(OC)=C(OC4C=CC(=CC=4)C[C@@H]4N(CCC5C=C(OC)C(=CC=54)OC2=C(O)C(=C3)OC)C)C=1
|
|
| MCULE-4969671593 |
0.80 |
C12=C3CCN(C)[C@@H]1CC1=CC=C(OC4C5=C(CCN(C)[C@@H]5CC5=CC=C(C=C5)OC2=C(OC)C(=C3)OC)C=C(OC)C=4OC)C=C1
|
|
| MCULE-3883554658 |
0.80 |
C12=C3CCN(C)[C@]1([H])CC1C=CC(=CC=1)OC1=C(OC)C(=CC4CCN(C)[C@](C1=4)([H])CC1=CC=C(C=C1)OC2=C(C(OC)=C3)OC)OC
|
|
| MCULE-7825125488 |
0.80 |
[H]Cl.C12=C(OC)C(OC)=CC3CCN(C)C(CC4C=CC(=C(OC5=CC=C(C=C5)CC5N(CCC6=C5C=C(C(OC)=C6)O1)C)C=4)O)C2=3
|
|
| MCULE-9167644339 |
0.80 |
C12[C@@H]3N(CCC=1C=C(OC)C(OC)=C2OC1C(OC)=CC2CCN(C)[C@@H](CC4C=CC(=CC=4)OC4=C(O)C=CC(=C4)C3)C=2C=1)C.Cl
|
|
| MCULE-8424323281 |
0.80 |
Cl.Cl.O(C1C(=CC2CCN(C)[C@]3([H])CC4=CC=C(O)C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6C=C(OC)C(=CC=65)OC=1C=23)=C4)OC)C
|
|
| MCULE-3891271395 |
0.80 |
C12OC3=CC4=C5C=C3OC=1C(=CC1CCNC([H])(CC3C=CC(=CC=3)OC3C(OC)=CC=C(CC4([H])N(CC5)C)C=3)C2=1)OC
|
|
| MCULE-4382321272 |
0.80 |
Cl.C1(OCC2C=CC=CC=2)C(OCC2C=CC=CC=2)=C(OC)C2C(NCCC=2C=1)CC1C=C(OC)C(OCC2C=CC=CC=2)=CC=1
|
|
| MCULE-6699394396 |
0.80 |
Cl.C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC(OC)=C(OC(=C(OC)C(OC)=C1)C=23)C=C65)C(O)=CC=4
|
|
| MCULE-3287612708 |
0.80 |
Cl.Cl.C1CC2C=C(OC)C(OC)=C3OC4C(OC)=CC5CCN(C)C(CC6C=CC(OC7=CC(=CC=C7O)CC(C=23)N1C)=CC=6)C=5C=4
|
|
| MolPort-029-886-746 |
0.80 |
Cl.COC1=CC2=C3C=C1OC1=C4[C@@H](CC5=CC(OC6=CC=C(C[C@@H]3N(C)CC2)C=C6)=C(O)C=C5)N(C)CCC4=CC(OC)=C1OC
|
|
| MolPort-042-676-315 |
0.80 |
Cl.Cl.COC1=C2OC3=C4C(CC5=CC(OC6=CC=C(CC7N(C)CCC(=C1)C7=C2)C=C6)=C(O)C=C5)N(C)CCC4=CC(OC)=C3OC
|
|
| MolPort-003-936-410 |
0.80 |
Cl.Cl.COC1=C2OC3=C4[C@@H](CC5=CC=C(O)C(OC6=CC=C(C[C@@H]7N(C)CCC(=C1)C7=C2)C=C6)=C5)N(C)CCC4=CC(OC)=C3OC
|
|
| MCULE-3241136280 |
0.79 |
C12=C3CCN(C)[C@]1([H])CC1C=CC(O)=C(OC4C(OC)=CC5CCN(C)[C@@]([H])(C=5C=4)CC4C=CC(=CC=4)OC2=C(O)C(=C3)OC)C=1
|
|
| MCULE-2868110081 |
0.79 |
C12C3CCN(C)[C@]1([H])CC1C=CC(=C(C=1)OC1C(OC)=CC4=C([C@@]([H])(N(C)CC4)CC4C=CC(=CC=4)OC=2C(=C(OC)C=3)O)C=1)O
|
|
| MolPort-003-983-880 |
0.79 |
[Cl-].[Cl-].COC1=CC2=C3[C@@H](CC4=CC(OC5=CC6=C(CC[NH+](C)C6CC6=CC=C(OC3=C1O)C=C6)C=C5OC)=C(O)C=C4)[N+](C)(C)CC2
|
|
| MolPort-006-069-226 |
0.79 |
Cl.[Cl-].COC1=CC2=C3C=C1OC1=C(O)C=CC(C[C@@H]4C5=C(OC6=CC=C(C[C@@H]3N(C)CC2)C=C6)C(O)=C(OC)C=C5CC[N+]4(C)C)=C1
|
|
| MolPort-009-758-370 |
0.79 |
O.O.O.O.O.[Cl-].[Cl-].COC1=C(O)C2=C3[C@@H](CC4=CC=C(O)C(OC5=C(OC)C=C6CC[N+](C)(C)[C@H](CC7=CC=C(O2)C=C7)C6=C5)=C4)[N+](C)(C)CCC3=C1
|
|
| MolPort-003-929-942 |
0.79 |
O.O.O.O.O.Cl.[Cl-].COC1=C(O)C2=C3[C@@H](CC4=CC=C(O)C(OC5=C(OC)C=C6CCN(C)[C@@H](CC7=CC=C(O2)C=C7)C6=C5)=C4)[N+](C)(C)CCC3=C1
|
|
| MolPort-000-703-191 |
0.79 |
O.O.O.O.O.[Cl-].[Cl-].COC1=C(O)C2=C3[C@@H](CC4=CC=C(O)C(OC5=C(OC)C=C6CC[N+](C)(C)[C@@H](CC7=CC=C(O2)C=C7)C6=C5)=C4)[N+](C)(C)CCC3=C1
|
|
| MCULE-4953433217 |
0.78 |
C12C3CC4C=CC(=CC=4)OC4C(OC)=CC=C(C=4)CC4C5=C(CC[NH+]4C)C=C(OC)C(=C5)OC1=C(C(OC)=C(O)C=2CCN3C)OC
|
|
| MCULE-4999135010 |
0.78 |
C12[C@]3([H])CC4C=CC(=CC=4)OC4C(OC)=CC=C(C=4)C[C@]4([H])N(CCC5=C4C=C(C(OC)=C5)OC1=C(C(OC)=C(O)C=2CCN3C)OC)C
|
|
| MCULE-8495160382 |
0.78 |
C1(COC2C=CC(=CC=2OC2C=CC(C[C@@H]3N(C)CCC4C=C(OC)C(OC)=CC3=4)=CC=2)C[C@@H]2C3=CC(=C(OC)C=C3CCN2C)OC)=CC=CC=C1
|
|
| MolPort-001-728-101 |
0.77 |
O.COC1=CC=C2C[C@@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)[C@H](CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-001-728-214 |
0.77 |
COC1=CC=C2C[C@@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=CC6=C(CCN[C@H]6CC6=CC=C(OC1=C2)C=C6)C=C5OC)=C34
|
|
| MolPort-001-728-117 |
0.77 |
COC1=CC=C2C[C@@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-000-730-052 |
0.77 |
[I-].COC1=CC=C2CC3[NH+](C)CCC4=CC(OC)=C(OC5=C6C(CC7=CC=C(OC1=C2)C=C7)N(C)CCC6=C(O)C(OC)=C5OC)C=C34
|
|
| MolPort-000-778-541 |
0.77 |
O.COC1=CC=C2CC3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-009-758-224 |
0.77 |
I.COC1=CC=C2C[C@@H]3N(C)CCC4=CC(OC)=C(OC5=C6[C@H](CC7=CC=C(OC1=C2)C=C7)N(C)CCC6=C(O)C(OC)=C5OC)C=C34
|
|
| MolPort-001-728-228 |
0.77 |
COC1=CC=C2C[C@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=CC6=C(CCN[C@H]6CC6=CC=C(OC1=C2)C=C6)C=C5OC)=C34
|
|
| MolPort-000-771-002 |
0.77 |
COC1=CC=C2CC3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MCULE-5042838561 |
0.77 |
C1(OC2=C(OC)C=C3C(C(CC)N(CC3)C)=C2)C(O)=C(OC)C=C2CCN(C)C(CC)C=12
|
|
| MCULE-7911972279 |
0.77 |
C12C3CC4=CC=C(C(OC5=CC=C(C=C5)CC5NCCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)=C4)OC.Cl.Cl
|
|
| MCULE-2079398858 |
0.77 |
C12C3CC4C=CC(=C(OC5=CC=C(C=C5)CC5N(CCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)C)C=4)OC.Cl.Cl
|
|
| MCULE-8393685162 |
0.77 |
C1(OC2=C(OC)C=C3C(C(CC)N(CC3)C)=C2)C(O)=C(OC)C=C2CCN(C)C(CC)C=12.Cl.Cl
|
|
| MCULE-3936362222 |
0.77 |
C12C3CC4C=CC(=CC=4)OC4C(OC)=CC=C(C=4)CC4C5=C(CC[NH+]4C)C=C(OC)C(=C5)OC1=C(C(OC)=C(O)C=2CCN3C)OC.[I-]
|
|
| MCULE-5019588064 |
0.77 |
C12[C@]3([H])CC4=CC=C(C(OC5C=CC(=CC=5)C[C@]5([H])NCCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)=C4)OC
|
|
| MCULE-3804794622 |
0.77 |
C12[C@]3([H])CC4=CC=C(C(OC5=CC=C(C=C5)C[C@]5([H])N(CCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)C)=C4)OC
|
|
| MCULE-8676512526 |
0.77 |
C12C3CC4=CC=C(C(OC5=CC=C(C=C5)CC5N(CCC6C5=CC(=C(OC)C=6)OC1=C(C(OC)=C(OC)C=2CCN3C)OC)C)=C4)OC
|
|
| MCULE-7431600466 |
0.77 |
I.C12[C@]3([H])CC4C=CC(=CC=4)OC4C(OC)=CC=C(C=4)C[C@]4([H])N(CCC5=C4C=C(C(OC)=C5)OC1=C(C(OC)=C(O)C=2CCN3C)OC)C
|
|
| MCULE-8268993318 |
0.77 |
C12C3CC4=CC=C(C(OC5=CC=C(C=C5)CC5NCCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(OC)=C2CCN3C)OC)=C4)OC
|
|
| MCULE-3283642436 |
0.77 |
C12C3CC4C=C(O)C(=C(OC5=CC=C(C=C5)CC5N(CCC6=C5C=C(C(OC)=C6)OC1=C(C(OC)=C(OC)C=2CCN3C)OC)C)C=4)OC
|
|
| MolPort-044-544-144 |
0.77 |
Cl.Cl.COC1=CC=C2CC3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN(C)C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-044-543-954 |
0.77 |
Cl.Cl.COC1=CC=C2CC3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=CC6=C(CCNC6CC6=CC=C(OC1=C2)C=C6)C=C5OC)=C34
|
|
| MCULE-8092338781 |
0.74 |
C12C(CC(C)C)N(C)CCC1=CC(OC)=C(O)C=2OC1C(OC)=CC2=C(C(CC(C)C)N(CC2)C)C=1O
|
|
| MCULE-3783274106 |
0.74 |
C1(OC2C(OC)=CC3=C(C(CC(C)C)N(CC3)C)C=2O)=C(OC2C(O)=C(OC)C=C3C=2C(CC(C)C)N(CC3)C)C(OC)=CC2=C1C(CC(C)C)N(CC2)C
|
|
| MCULE-4404393518 |
0.74 |
N1(C)CCC2C(C1CC(C)C)=C(C(=C(OC)C=2)OC1C2C(CC(C)C)N(C)CCC=2C=C(OC)C=1O)OC1C(OC)=CC2CCN(C)C(CC(C)C)C=2C=1
|
|
| MolPort-035-705-716 |
0.74 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC)C(OC5=CC6=C(CC[N+](C)([O-])[C@H]6CC6=CC=C(OC1=C2)C=C6)C=C5OC)=C34
|
|
| MolPort-044-193-471 |
0.73 |
COC1=C2OC3=CC=C(CC4N(C)CCC5=CC6=C(OCO6)C(OC6=C(OC)C=C7CCN(C)C(CC(C=C1)=C2)C7=C6)=C45)C=C3
|
|
| MolPort-035-395-783 |
0.73 |
COC1=C2OC3=CC=C(C[C@@H]4N(C)CCC5=C4C(OC4=C(OC)C=C6CCN(C)C(CC(C=C1)=C2)C6=C4)=C1OCOC1=C5)C=C3
|
|
| MolPort-000-775-465 |
0.73 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC5=C6[C@H](CC7=CC=C(OC1=C2)C=C7)N(C)CCC6=CC1=C5OCO1)C=C34
|
|
| MCULE-4243165865 |
0.73 |
C12C3OCOC=3C=C3CCN(C)[C@@]([H])(CC4=CC=C(C=C4)OC4=C(OC)C=CC(C[C@@]5([H])N(CCC6C5=CC(=C(OC)C=6)O1)C)=C4)C=23
|
|
| MCULE-9714795096 |
0.73 |
C12C3OCOC=3C=C3CCN(C)C([H])(CC4=CC=C(C=C4)OC4=C(OC)C=CC(CC5([H])N(CCC6C5=CC(=C(OC)C=6)O1)C)=C4)C=23
|
|
| MCULE-3635473685 |
0.73 |
COC1C2OC3C4[C@](N(CCC=4C=C4OCOC=34)C)([H])CC3C=CC(OC4=CC=C(C[C@]5(N(CCC(=C5C=2)C=1)C)[H])C=C4OC)=CC=3
|
|
| MCULE-1139668351 |
0.73 |
C12CCN(C)[C@]3([H])CC4C=C(OC5C=CC(=CC=5)C[C@]5([H])N(C)CCC6=CC7OCOC=7C(OC(C(OC)=C1)=CC=23)=C65)C(OC)=CC=4
|
|
| MCULE-3272174824 |
0.73 |
O1C2=C(C=C3CCN(C)[C@@H](CC4=CC=C(C(=C4)OC4=CC=C(C=C4)C[C@@H]4C5=C1C1=C(C=C5CCN4C)OCO1)OC)C3=C2)OC
|
|
| MCULE-1711881304 |
0.73 |
C12=C(O)C(OC)=CC3[C@]([N+](C)(C)CCC=31)([H])CC1C=CC(=CC=1)OC1C(OC)=CC=C(C[C@]3([H])C4C(CC[N+]3(C)C)=CC(OC)=C(C=4)O2)C=1
|
|
| MCULE-5643246457 |
0.73 |
C12=C(O)C(OC)=CC3C(N(C)CCC=31)CC1=CC=C(C=C1)OC1C(OC)=CC=C(CC3N(CCC4C3=CC(=C(OC)C=4)O2)C)C=1
|
|
| MCULE-4717457274 |
0.73 |
C12=C(O)C(OC)=CC3[C@](N(C)CCC=31)([H])CC1C=CC(=CC=1)OC1C(OC)=CC=C(C[C@@]3([H])N(CCC4C3=CC(=C(OC)C=4)O2)C)C=1
|
|
| MCULE-3054984599 |
0.73 |
[N+]1(C)(C)CCC2C=C(OC)C(OCC3C=CC=CC=3)=CC=2C1CC1C=C(OC)C(OCC2C=CC=CC=2)=CC=1
|
|
| MCULE-8881128467 |
0.73 |
C1(OC2C(OC)=CC3=C(C(CC(C)C)N(CC3)C)C=2O)C(OC(C)=O)=C(OC)C=C2C=1C(CC(C)C)N(CC2)C
|
|
| MolPort-044-561-571 |
0.73 |
COC1=CC2=C3C=C1OC1=C(OC)C(OC)=CC4=C1[C@@H](CC1=CC=C(OC(=O)C5=CC=C(C=C5)[N+]([O-])=O)C(OC5=CC=C(C[C@@H]3N(C)CC2)C=C5)=C1)N(C)CC4
|
|
| MolPort-046-597-983 |
0.73 |
COC1=CC=C2CC3C4=CC(OC5=C6CC[N+](C)(C)C(CC7=CC=C(OC1=C2)C=C7)C6=CC(OC)=C5O)=C(OC)C=C4CC[N+]3(C)C
|
|
| MolPort-000-758-558 |
0.73 |
COC1=CC=C2C[C@H]3N(C)CCC4=CC(OC)=C(OC5=C6CCN(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=CC(OC)=C5O)C=C34
|
|
| MolPort-001-728-215 |
0.73 |
COC1=CC=C2CC3N(C)CCC4=CC(OC)=C(OC5=C6CCN(C)C(CC7=CC=C(OC1=C2)C=C7)C6=CC(OC)=C5O)C=C34
|
|
| MolPort-000-742-151 |
0.72 |
[I-].[I-].COC1=CC=C2C[C@@H]3C4=CC(OC5=C6CC[N+](C)(C)[C@@H](CC7=CC=C(OC1=C2)C=C7)C6=CC(OC)=C5O)=C(OC)C=C4CC[N+]3(C)C
|
|
| MCULE-7704160657 |
0.72 |
C12=C(O)C(OC)=CC3[C@]([N+](C)(C)CCC=31)([H])CC1C=CC(=CC=1)OC1C(OC)=CC=C(C[C@]3([H])C4C(CC[N+]3(C)C)=CC(OC)=C(C=4)O2)C=1.[I-].[I-]
|
|
| MCULE-9342922589 |
0.72 |
[Cl-].[N+]1(C)(C)CCC2C=C(OC)C(OCC3C=CC=CC=3)=CC=2C1CC1C=C(OC)C(OCC2C=CC=CC=2)=CC=1
|
|
| MCULE-3253767593 |
0.71 |
C(O)(=O)C(O)=O.C1(OC2C(OC)=CC3=C(C(CC(C)C)N(CC3)C)C=2O)=C(C(OC)=CC2CCN(C)C(CC(C)C)C1=2)OC1C(O)=C(OC)C=C2CCN(C)C(CC(C)C)C=12
|
|
| MCULE-1123648043 |
0.71 |
C12C(CC3=CC=CC=C3)NCCC1=CC(OC)=C(OCC1=CC=CC=C1)C=2
|
|
| MCULE-8233858649 |
0.71 |
C12C(CC(C)C)N(C)CCC1=CC(OC)=C(O)C=2OC1C(OC)=CC2=C(C(CC(C)C)N(CC2)C)C=1O.C(O)(=O)C(O)=O
|
|
| MCULE-5593923284 |
0.71 |
C12C(CC3=CC=CC=C3)NCCC1=CC(OC)=C(OCC1=CC=CC=C1)C=2.Cl
|
|
| MCULE-2546164744 |
0.71 |
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-8952586676 |
0.71 |
C(C)(=O)OC1C=CC(CC2C3C=C(OC)C(OC)=C(C=3CCN2C)OCC2C=CC=CC=2)=CC=1
|
|
| MCULE-7464008139 |
0.70 |
C1(OC2=C(OC)C=C3C(C(C)N(CC3)C)=C2)=C(O)C(OC)=CC2CCN(C)C(C)C1=2
|
|
| MCULE-3866980391 |
0.70 |
C1(OC2=C(OC)C=C3C(C(C)N(CC3)C)=C2)=C(O)C(OC)=CC2CCNC(C)C1=2
|
|
| MCULE-8823935868 |
0.70 |
C12C[C@]3(C4C=C(OC5C=C6[C@@]([H])(N(C)CCC6=CC=5OC)CC5=CC=C(OC(=C1)C(OC)=CC=2)C=C5)C(O)=C(OC)C=4CCN3C)[H]
|
|
| MCULE-4517442642 |
0.69 |
C12C(CC3C=CC(OCC4C=CC=CC=4)=CC=3)NCCC1=CC(OC)=C(OC)C=2
|
|
| MolPort-001-728-133 |
0.68 |
COC1=CC2=C3CCN=C2CC2=CC=C(OC4=CC(C[C@@H]5N(C)CCC6=CC(OC)=C(OC)C(OC1=C3)=C56)=CC=C4O)C=C2
|
|
| MCULE-5525078601 |
0.68 |
N1(C(OCC)=O)CCC2C(=CC(=C(OC)C=2OC2=C(OC)C=C3C(C(CC4C=CC(OCC5C=CC=CC=5)=CC=4)N(CC3)C(OCC)=O)=C2)O)C1CC1=CC=C(OCC2=CC=CC=C2)C=C1
|
|
| MCULE-1418546542 |
0.68 |
C12=C(OC)C(OC)=CC3CCN(C)[C@@]([H])(CC4C=CC(=C(OC5C=CC(=CC=5)CC5=NCCC6C=C(C(OC)=CC=65)O1)C=4)O)C2=3
|
|
| MCULE-5161455012 |
0.68 |
C12C=C(C(OC)=CC=1CCN(C)[C@@H]2CC1=CC=C(OC)C(OC2C=CC(C[C@H]3N(C)CCC4C=C(C(OC)=CC3=4)OC)=CC=2)=C1)OC
|
|
| MCULE-1404160175 |
0.68 |
C12C(CC3C=CC(OCC4C=CC=CC=4)=CC=3)NCCC1=CC(OC)=C(O)C=2
|
|
| MCULE-3698018759 |
0.68 |
[N+]1(C)(C)CCC2C(=CC(=C(OC)C=2)OCC2=CC=CC=C2)C1CC(C)C
|
|
| MCULE-8629115386 |
0.68 |
C12=CC(OCC)=C(OCC3=CC=CC=C3)C=C1CCN(C)C2CC(C)C
|
|
| MCULE-4818309974 |
0.68 |
C1(OC)C=C2CCN(C(CC(C)C)C2=CC=1OCC1C=CC=CC=1)C
|
|
| MolPort-020-005-793 |
0.67 |
COC1=CC=C(C[C@H]2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(C[C@H]5N(C)CCC6=C5C=C(O)C(OC)=C6)=C4)C=C23)C=C1
|
|
| MolPort-006-069-378 |
0.67 |
COC1=CC2=C(C=C1OC)[C@@H](CC1=CC=C(O)C(OC3=CC4=C(CCN(C)[C@@H]4CC4=CC=C(O)C=C4)C=C3OC)=C1)N(C)CC2
|
|
| MolPort-039-052-274 |
0.67 |
COC1=CC=C(C[C@H]2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(CC5N(C)CCC6=C5C=C(OC)C(OC)=C6)=C4)C=C23)C=C1
|
|
| MolPort-046-417-445 |
0.67 |
COC1=CC=C(C[C@H]2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(C[C@@H]5N(C)CCC6=CC(OC)=C(OC)C=C56)=C4)C=C23)C=C1
|
|
| MolPort-046-426-991 |
0.67 |
COC1=CC=C(CC2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(CC5N(C)CCC6=CC(OC)=C(OC)C=C56)=C4)C=C23)C=C1
|
|
| MolPort-039-052-270 |
0.67 |
COC1=CC=C(C[C@H]2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(CC5N(C)CCC6=C5C=C(O)C(OC)=C6)=C4)C=C23)C=C1
|
|
| MolPort-046-594-355 |
0.67 |
COC1=C(OC)C=C2C(CC3=CC(OC4=C(OC)C=C5CCN(C)C(CC6=CC=C(O)C=C6)C5=C4)=C(O)C=C3)N(C)CCC2=C1
|
|
| MolPort-046-594-356 |
0.67 |
COC1=CC=C(CC2N(C)CCC3=CC(OC)=C(OC4=C(O)C=CC(CC5N(C)CCC6=CC(OC)=C(O)C=C56)=C4)C=C23)C=C1
|
|
| MolPort-039-052-273 |
0.67 |
COC1=CC2=C(C=C1OC)C(CC1=CC(OC3=C(OC)C=C4CCN(C)[C@H](CC5=CC=C(O)C=C5)C4=C3)=C(O)C=C1)N(C)CC2
|
|
| MolPort-046-594-384 |
0.67 |
COC1=C(OC)C=C2C(CC3=CC=C(OC4=C(O)C=CC(CC5N(C)CCC6=CC(OC)=C(OC)C=C56)=C4)C=C3)N(C)CCC2=C1
|
|
| MolPort-039-052-321 |
0.67 |
COC1=CC2=C(C=C1OC)[C@@H](CC1=CC=C(O)C(OC3=CC=C(C[C@H]4N(C)CCC5=CC(OC)=C(OC)C=C45)C=C3)=C1)N(C)CC2
|
|
| MolPort-020-005-909 |
0.67 |
COC1=CC2=C(C=C1O)[C@@H](CC1=CC=C(O)C(OC3=CC=C(C[C@H]4N(C)CCC5=C4C=C(OC)C(OC)=C5)C=C3)=C1)N(C)CC2
|
|
| MolPort-020-005-910 |
0.67 |
COC1=CC2=C(CCN(C)[C@@H]2CC2=CC=C(OC3=CC(C[C@H]4N(C)CCC5=C4C=C(OC)C(OC)=C5)=CC=C3O)C=C2)C=C1O
|
|
| MCULE-5517747794 |
0.67 |
[C@H]1(CC2=CC(=C(O)C=C2)OC2C(=CC3=C(C=2)[C@H](N(CC3)C)CC2=CC=C(OC)C=C2)OC)N(C)CCC2C=C(OC)C(O)=CC1=2
|
|
| MCULE-1304468907 |
0.67 |
CN1C(CC2C=CC(OC)=CC=2)C2C(=CC(OC)=C(OC3C=C(CC4N(C)CCC5C4=CC(O)=C(OC)C=5)C=CC=3O)C=2)CC1
|
|
| MCULE-1313881996 |
0.67 |
CN1C(CC2C=CC(OC)=CC=2)C2C(=CC(OC)=C(OC3C=C(CC4N(C)CCC5C4=CC(OC)=C(OC)C=5)C=CC=3O)C=2)CC1
|
|
| MCULE-9448174765 |
0.67 |
OC1C(OC2C(OC)=CC3CCN([C@H](CC4C=CC(OC)=CC=4)C=3C=2)C)=CC(C[C@@H]2C3C=C(C(=CC=3CCN2C)OC)OC)=CC=1
|
|
| MCULE-6225386441 |
0.67 |
C12C=C(C(OC)=CC=1CCN(C)[C@@H]2CC1=CC=C(O)C=C1)OC1=C(O)C=CC(C[C@H]2N(C)CCC3C=C(C(OC)=CC2=3)OC)=C1
|
|
| MCULE-9406913648 |
0.67 |
COC1C=C2C(C(N(CC2)C)CC2C=CC(O)=C(OC3C=C4C(CCN(C4CC4C=CC(O)=CC=4)C)=CC=3OC)C=2)=CC=1OC
|
|
| MCULE-5545107428 |
0.67 |
C12C=C(C(OC)=CC=1CCN(C)[C@@H]2CC1=CC=C(O)C=C1)OC1=C(O)C=CC(C[C@H]2N(C)CCC3C=C(OC)C(OC)=CC2=3)=C1
|
|
| MCULE-1417610312 |
0.67 |
C1(O)=CC=C(C[C@H]2C3=C(C=C(OC)C(OC)=C3)CCN2C)C=C1OC1=CC2=C(C=C1OC)CCN(C)[C@@H]2CC1=CC=C(OC)C=C1
|
|
| MCULE-3261394749 |
0.67 |
[I-].[N+]1(C)(C)CCC2C(=CC(=C(OC)C=2)OCC2=CC=CC=C2)C1CC(C)C
|
|
| MCULE-3977547393 |
0.67 |
C12=C(CCN(C)[C@@H]1CC1=CC(=C(OC(C)=O)C=C1)OC1C=CC(C[C@@H]3C4C=C(OC)C(OC)=CC=4CCN3C)=CC=1)C=C(C(OC(=O)C)=C2)OC
|
|
| MCULE-3934803914 |
0.67 |
C12C=C(C(OC)=CC=1CCN(C)[C@@H]2CC1C=CC(OC2=C(O)C=CC(C[C@H]3NCCC4C=C(C(OC)=CC3=4)OC)=C2)=CC=1)OC
|
|
| MCULE-5928389662 |
0.67 |
CN1C(CC2C=CC(OC3C=C(CC4N(C)CCC5C4=CC(OC)=C(OC)C=5)C=CC=3O)=CC=2)C2C(=CC(OC)=C(OC)C=2)CC1
|
|
| MCULE-7949916991 |
0.67 |
C12CCN(C)[C@]([H])(CC3C=C(OC4C=CC(=CC=4)C[C@@]4([H])N(C)CCC5=CC(OC)=C(OC)C=C54)C(O)=CC=3)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-4656622603 |
0.67 |
OC1C(OC)=CC2[C@H](N(CCC=2C=1)C)CC1C=C(OC2C=CC(C[C@@H]3C4C=C(C(=CC=4CCN3C)OC)OC)=CC=2)C(O)=CC=1
|
|
| MCULE-9710337094 |
0.67 |
C12CCN(C)[C@]([H])(CC3C=C(OC4C=CC(=CC=4)C[C@@]4([H])N(C)CCC5=CC(OC)=C(OC)C=C54)C(O)=CC=3)C=1C=C(O)C(OC)=C2
|
|
| MCULE-8356205204 |
0.67 |
C12CCN(C)[C@]([H])(CC3C=C(OC4C=CC(=CC=4)C[C@@]4([H])N(C)CCC5=CC(O)=C(OC)C=C54)C(O)=CC=3)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-4708681685 |
0.67 |
C12=CC(=C(OC)C=C1CCN(C)[C@@H]2CC1C=CC(O)=C(OC2C=CC(C[C@@H]3N(C)CCC4C=C(OC)C(OC)=CC3=4)=CC=2)C=1)OC
|
|
| MCULE-5259275759 |
0.67 |
O(CC1C=CC=CC=1)C1C(OC)=CC2CCN(C)C(CC3C=CC(OC)=C(C=3)Br)C=2C=1
|
|
| MolPort-001-728-110 |
0.66 |
COC1=CC=C2C[C@H]3N(C)CCC4=C(O)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN=C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-046-684-150 |
0.66 |
O[Cl](=O)(=O)=O.O[Cl](=O)(=O)=O.COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC3=C(OC)C=C4CCN(C)[C@H](CC5=CC=C(O)C=C5)C4=C3)=C(O)C=C1)N(C)CC2
|
|
| MolPort-039-052-272 |
0.66 |
O[Cl](=O)(=O)=O.O[Cl](=O)(=O)=O.COC1=CC2=C(C=C1OC)C(CC1=CC(OC3=C(OC)C=C4CCN(C)[C@H](CC5=CC=C(O)C=C5)C4=C3)=C(O)C=C1)N(C)CC2
|
|
| MolPort-027-720-883 |
0.66 |
O[Cl](=O)(=O)=O.COC1=CC2=C(C=C1OC)[C@@H](CC1=CC(OC3=C(OC)C=C4CCN(C)[C@H](CC5=CC=C(O)C=C5)C4=C3)=C(O)C=C1)N(C)CC2
|
|
| MolPort-039-052-271 |
0.66 |
O[Cl](=O)(=O)=O.COC1=CC2=C(C=C1OC)C(CC1=CC(OC3=CC4=C(CCN(C)[C@@H]4CC4=CC=C(O)C=C4)C=C3OC)=C(O)C=C1)N(C)CC2
|
|
| MolPort-046-594-320 |
0.66 |
O[Cl](=O)(=O)=O.O[Cl](=O)(=O)=O.COC1=C(OC)C=C2C(CC3=CC(OC4=C(OC)C=C5CCN(C)C(CC6=CC=C(O)C=C6)C5=C4)=C(O)C=C3)N(C)CCC2=C1
|
|
| MCULE-5094356852 |
0.66 |
C12[C@@]3([H])CC4=CC=C(C(OC5=CC=C(C=C5)CC5=NCCC6=C5C=C(C(OC)=C6)OC=1C(=C(OC)C(O)=C2CCN3C)OC)=C4)OC
|
|
| MCULE-8525910674 |
0.66 |
C12=C(CCN(C)[C@@H]1CC1C=CC(O)=CC=1)C=C(OC)C(OC1=CC(=CC=C1O)C[C@H]1N(C)CCC3C=C(OC)C(OC)=CC1=3)=C2.Cl(=O)(O)(=O)=O
|
|
| MCULE-5235810957 |
0.66 |
OCl(=O)(=O)=O.OCl(=O)(=O)=O.CN1C(CC2C=CC(O)=CC=2)C2C(=CC(OC)=C(OC3C=C(CC4N(C)CCC5C4=CC(OC)=C(OC)C=5)C=CC=3O)C=2)CC1
|
|
| MCULE-4109058051 |
0.66 |
C12[C@@]3([H])CC4C=CC(=C(OC5=CC=C(C=C5)CC5=NCCC6=C5C=C(C(OC)=C6)OC1=C(C(OC)=C(OC)C=2CC[NH+]3C)OC)C=4)OC
|
|
| MCULE-8693621202 |
0.66 |
N1(C)CC2=C(C1CC1C=CC(OCC3C=CC=CC=3)=CC=1)C=C(OCC1C=CC=CC=1)C(OC)=C2
|
|
| MolPort-035-705-715 |
0.66 |
COC1=CC=C2CC[N+](C)(C)[C@@H](CC3=CC=C(O)C=C3)C2=C1O
|
|
| MolPort-002-800-513 |
0.65 |
COC1=C2C(CC3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-9094304676 |
0.65 |
N1(C)CC2=C(C1CC1C=CC(OCC3C=CC=CC=3)=CC=1)C=C(OCC1C=CC=CC=1)C(OC)=C2.Cl
|
|
| MCULE-4908172299 |
0.65 |
C12C(CCNC1CC1C=CC(=C(OCC)C=1)OCC)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-4107531047 |
0.65 |
C12C(C)N(C)CCC1=CC(OC)=C(OCC1C=CC=CC=1)C=2
|
|
| MCULE-9246797226 |
0.65 |
COC1C=C(CC2C3C=C(C(=CC=3CCN2C)OC)OC)C=C(OC)C=1OC
|
|
| MCULE-9280228877 |
0.65 |
N12CCC3C(=CC4=C(OCCO4)C=3)C1CC1=CC=C(OC)C(OC)=C1C2
|
|
| MCULE-5427071523 |
0.65 |
C12[C@@]3([H])CC4C=CC(=C(OC5=CC=C(C=C5)CC5=NCCC6=C5C=C(C(OC)=C6)OC1=C(C(OC)=C(OC)C=2CC[NH+]3C)OC)C=4)OC.N(=O)(=O)[O-]
|
|
| MCULE-1567383135 |
0.65 |
Cl.C12C(CCNC1CC1=CC=C(C(OCC)=C1)OCC)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-4071188423 |
0.65 |
COC1C=C(CC2C3C=C(C(=CC=3CCN2C)OC)OC)C=C(OC)C=1OC.Cl
|
|
| MolPort-002-464-738 |
0.65 |
CCOC1=CC=C(CC2NCCC3=CC(OCC)=C(OCC)C=C23)C=C1OCC
|
|
| MolPort-009-757-788 |
0.65 |
O[N+]([O-])=O.COC1=CC=C2C[C@H]3N(C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN=C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-000-717-023 |
0.65 |
[O-][N+]([O-])=O.COC1=CC=C2C[C@H]3[NH+](C)CCC4=C(OC)C(OC)=C(OC)C(OC5=C(OC)C=C6CCN=C(CC7=CC=C(OC1=C2)C=C7)C6=C5)=C34
|
|
| MolPort-044-560-957 |
0.65 |
Cl.COC1=CC2=C(C=C1OC)C(CC1=CC(OC)=C(OC)C(OC)=C1)N(C)CC2
|
|
| MolPort-000-882-010 |
0.64 |
COC1=C(O)C=C2CCN3CC4=C(C[C@@H]3C2=C1)C=CC(OC)=C4OC
|
|
| MolPort-001-740-784 |
0.64 |
COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-001-728-102 |
0.64 |
COC1=C(OC)C=C2C3CC4=C(C[NH+]3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-001-728-168 |
0.64 |
COC1=CC2=C(C=C1OC)C1C(C)C3=CC=C(OC)C(OC)=C3CN1CC2
|
|
| MolPort-001-728-103 |
0.64 |
COC1=C(OC)C=C2[C@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-000-881-202 |
0.64 |
COC1=CC2=C(C=C1OC)[C@@H]1CC3=C(CN1CC2)C(OC)=C(OC)C=C3
|
|
| MolPort-046-790-508 |
0.64 |
COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(O)C=C4
|
|
| MolPort-000-487-312 |
0.64 |
COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-019-996-257 |
0.64 |
COC1=CC2=C(C=C1OC)[C@@H]1CC3=C(CN1CC2)C(OC)=C(O)C=C3
|
|
| MolPort-039-052-634 |
0.64 |
COC1=C(O)C=C2CCN3CC4=C(C[C@H]3C2=C1)C=CC(OC)=C4OC
|
|
| MolPort-039-052-373 |
0.64 |
COC1=C(OC)C=C2[C@H]3C(C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-044-649-467 |
0.64 |
COC1=CC2=C(CCN3CC4=C(CC23)C=CC(OC)=C4OC)C=C1O
|
|
| MolPort-023-332-930 |
0.64 |
COC1=CC=C2C[C@@H]3N(CCC4=CC(OC)=C(O)C=C34)CC2=C1OC
|
|
| MolPort-046-763-883 |
0.64 |
COC1=C(OC)C(CO)=C(C=C1)[C@H](O)[C@@H]1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-039-338-706 |
0.64 |
COC1=C2[C@H](CC3=CC=C(O)C=C3)NCCC2=CC=C1O
|
|
| MCULE-1935763935 |
0.64 |
COC1C(O)=CC2=C(C3N(CC2)CC2C(=CC=C(C=2OC)OC)C3)C=1
|
|
| MCULE-6675093805 |
0.64 |
N12CCC3C=C(OC)C(OC)=CC=3C1C(C)C1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-5343199995 |
0.64 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-9590328189 |
0.64 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-9945463658 |
0.64 |
C1(O)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@]3([H])C2=CC=1OC
|
|
| MCULE-2739186472 |
0.64 |
C1(OC)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@@]3([H])C2=CC=1O
|
|
| MCULE-9155587841 |
0.64 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-5827277495 |
0.64 |
C1(OC)C=C2CCN3CC4C(OC)=C(O)C=CC=4C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-9943627177 |
0.64 |
C1(O)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-6042650831 |
0.64 |
C1(C=C2CCN3[C@@]([H])(C2=CC=1OC)[C@@H](C)C1C=CC(OC)=C(OC)C=1C3)OC
|
|
| MCULE-1328768112 |
0.64 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-8349247867 |
0.64 |
[N+]12(C)CCC3=C(C=C(C(OC)=C3)OC)C1CC1=CC=C(OC)C(OC)=C1C2
|
|
| MCULE-3987199342 |
0.64 |
C12C([C@]3([H])CC4=CC=C(OC)C(OC)=C4CN3CC1)=CC(O)=C(OC)C=2
|
|
| MCULE-9823434055 |
0.64 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@]1([H])CC1=CC=C(OC)C(OC)=C1C2
|
|
| MCULE-2736060136 |
0.64 |
C1C=C2CCN[C@@]([H])(CC3C=CC(O)=CC=3)C2=C(OC)C=1O
|
|
| MCULE-9495472668 |
0.64 |
[I-].[N+]12(C)CCC3=C(C=C(C(OC)=C3)OC)C1CC1=CC=C(OC)C(OC)=C1C2
|
|
| MCULE-7006385138 |
0.64 |
Cl.C12C=C(OC)C(OC)=CC=1C1CC3C=CC(OC)=C(OC)C=3CN1CC2
|
|
| MCULE-7464134414 |
0.64 |
[NH+]12CCC3C(=CC(=C(OC)C=3)OC)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2.[Cl-]
|
|
| MCULE-8159856323 |
0.64 |
C12C(C)NCCC=1C=C(OC)C(OCC1=CC=CC=C1)=C2
|
|
| MCULE-6845267239 |
0.64 |
C1(CC2=CC(OC)=C(OC)C(OC)=C2)C2=C(C=C(OC)C(OC)=C2)CCN1
|
|
| MolPort-009-757-742 |
0.64 |
Cl.COC1=C(OC)C=C2[C@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-002-321-247 |
0.64 |
Cl.COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-000-697-827 |
0.64 |
[Cl-].COC1=C(OC)C=C2[C@H]3CC4=C(C[NH+]3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-009-653-440 |
0.64 |
Cl.COC1=C(OC)C=C2[C@@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-002-515-733 |
0.63 |
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 |
0.63 |
COC1=C2C(CC(O)C3=C(C)C=C4C(=C3)C(C)(C)CC(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-761-502 |
0.63 |
COC1=C(OC)C(CO)=C(C=C1)[C@@H](O)[C@@H]1N(C)CCC2=CC3=C(OCO3)C(O)=C12
|
|
| MolPort-001-728-067 |
0.63 |
COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCCC#N)C=C1)N(C)CC2
|
|
| MCULE-3731584988 |
0.63 |
C1(=CC=CC=C1)CC1C2C(OC)=C(OC)C=CC=2CC2N1CCC1C2=CC2OCOC=2C=1
|
|
| MCULE-2324799254 |
0.63 |
C12=CC(OC)=C(C=C1CCN(C)C2CC1=CC=C(C=C1)OCCC#N)OC
|
|
| MCULE-5347617329 |
0.63 |
OC1C(OC)=CC2CCN3CC4C(=C(C=CC=4C[C@@]3([H])C=2C=1)O)OC
|
|
| MCULE-6361134516 |
0.63 |
C1(OC)C=C2CCN3CC4C(OC)=C(O)C=CC=4C[C@@]3([H])C2=CC=1O
|
|
| MCULE-1663051633 |
0.63 |
[C@@]12([H])CC3=C(C(O)=C(OC)C=C3)CN1CCC1C=C(OC)C(O)=CC2=1
|
|
| MCULE-4841277550 |
0.63 |
C12=C3CCN(C)C1CC1=C(C=C(C(OC4C=C(OC)C(=CC=4CC4N(C)CCC5=CC(OC)=C(OC)C=C45)OC)=C1)OC)C2=C(C(OC)=C3)OC
|
|
| MCULE-8602017791 |
0.63 |
C12=C3CCN(C)[C@@]1([H])CC1=C(C=C(C(OC4=CC(OC)=C(C=C4C[C@]4([H])N(C)CCC5=CC(OC)=C(OC)C=C45)OC)=C1)OC)C2=C(C(OC)=C3)OC
|
|
| MCULE-3191986115 |
0.63 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C(OCC2=CC=CC=C2)=C1)OC
|
|
| MCULE-9694461865 |
0.63 |
[Cl-].[Cl-].C12=C3CC[NH+](C)C1CC1=C(C=C(C(OC4=CC(OC)=C(C=C4CC4C5=CC(OC)=C(C=C5CC[NH+]4C)OC)OC)=C1)OC)C2=C(C(OC)=C3)OC
|
|
| MCULE-7839566309 |
0.63 |
Cl.Cl.C12=C3CCN(C)[C@@]1([H])CC1=C(C=C(C(OC4=CC(OC)=C(C=C4C[C@]4([H])N(C)CCC5=CC(OC)=C(OC)C=C45)OC)=C1)OC)C2=C(C(OC)=C3)OC
|
|
| MolPort-000-719-611 |
0.63 |
[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-046-153-752 |
0.63 |
COC1=C(O)C=C2[C@@H]3CC4=C(CN3CCC2=C1)C(O)=C(OC)C=C4
|
|
| MolPort-020-005-719 |
0.63 |
COC1=CC2=C(C=C1O)[C@@H]1CC3=CC=C(O)C(OC)=C3CN1CC2
|
|
| MolPort-001-728-093 |
0.63 |
COC1=CC(CC2N(C)CCC3=C2C=C(OC)C(OC)=C3)=C(OC2=C(OC)C=C3C(CC4N(C)CCC5=CC(OC)=C(OC)C3=C45)=C2)C=C1OC
|
|
| MolPort-003-850-289 |
0.63 |
COC1=C(O)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(O)C=C4
|
|
| MolPort-009-758-638 |
0.63 |
Cl.Cl.COC1=CC(C[C@H]2N(C)CCC3=C2C=C(OC)C(OC)=C3)=C(OC2=C(OC)C=C3C(C[C@@H]4N(C)CCC5=CC(OC)=C(O)C3=C45)=C2)C=C1OC
|
|
| MolPort-002-149-285 |
0.63 |
COC1=CC=C(CN2CCC3=CC(OC)=C(OC)C=C3C2)C=C1OCC1=CC=CC=C1
|
|
| MolPort-000-840-202 |
0.63 |
Cl.Cl.COC1=CC(CC2N(C)CCC3=C2C=C(OC)C(OC)=C3)=C(OC2=C(OC)C=C3C(CC4N(C)CCC5=CC(OC)=C(O)C3=C45)=C2)C=C1OC
|
|
| MolPort-009-758-369 |
0.63 |
Cl.Cl.COC1=CC(C[C@@H]2N(C)CCC3=C2C=C(OC)C(OC)=C3)=C(OC2=C(OC)C=C3C(C[C@@H]4N(C)CCC5=CC(OC)=C(OC)C3=C45)=C2)C=C1OC
|
|
| MolPort-000-725-509 |
0.63 |
[Cl-].[Cl-].COC1=CC(CC2[NH+](C)CCC3=C2C=C(OC)C(OC)=C3)=C(OC2=C(OC)C=C3C(CC4[NH+](C)CCC5=CC(OC)=C(OC)C3=C45)=C2)C=C1OC
|
|
| MolPort-000-734-784 |
0.62 |
[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 |
0.62 |
COC1=C2C(CC(O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-758-012 |
0.62 |
Cl.COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-728-096 |
0.62 |
COC1=CC2=C(C=C1OC)C(CC1=CC=C(O)C=C1)N(C)CC2
|
|
| MolPort-000-881-248 |
0.62 |
COC1=CC=C(C[C@H]2N(C)CCC3=C2C=C(OC)C(OC)=C3)C=C1O
|
|
| MolPort-001-728-116 |
0.62 |
COC1=CC=C(C[C@@H]2N(C)CCC3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-001-728-151 |
0.62 |
COC1=CC=C(CC2N(C)CCC3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-001-728-132 |
0.62 |
COC1=CC2=C(C=C1OC)[C@@H](CC1=CC=C(O)C=C1)N(C)CC2
|
|
| MolPort-002-054-179 |
0.62 |
CCOC1=C(OCC)C=C2C(CCO)NCCC2=C1
|
|
| MolPort-000-736-225 |
0.62 |
CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C2=C(OC)C=CC=C2)C=C1OCC
|
|
| MCULE-1404654898 |
0.62 |
C1(C)=C(OC)C(OC)=CC2=C1C(CC1C=CC(O)=CC=1)NCC2
|
|
| MCULE-4866665822 |
0.62 |
C1(CC2C=CC=CC=2)(C#N)C2=CC(OCC3C=CC=CC=3)=C(C=C2CCN1C(C1=CC=CC=C1)=O)OC
|
|
| MCULE-5044903349 |
0.62 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)[C@@]1([H])CC1C=CC(=CC=1)[O-]
|
|
| MCULE-9824379461 |
0.62 |
C12C=C(OC)C(=CC=1CCN(C)[C@H]2CC1=CC=C(C(OC)=C1)OC)OC
|
|
| MCULE-1232528834 |
0.62 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)C1([H])CC1=CC=C(O)C=C1
|
|
| MCULE-7558810534 |
0.62 |
[N+]1(C)(C)C(CC2=CC(OC)=C(OC)C=C2)C2=CC(OC)=C(OC)C=C2CC1
|
|
| MCULE-2591645144 |
0.62 |
COC1C(OC)=CC2=C(CCN([C@@H]2CC2=CC=C(O)C=C2)C)C=1
|
|
| MCULE-2724982116 |
0.62 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1=CC=C(C(O)=C1)OC)OC
|
|
| MCULE-1703608488 |
0.62 |
C1(OC)C=C2C(CC3=CC(OC)=C(OC)C=C3)N(C)CCC2=CC=1OC
|
|
| MCULE-7667495210 |
0.62 |
C12C=C(OC)C(=CC=1CCN(C)[C@]2([H])CC1C=CC(=CC=1)O)OC
|
|
| MCULE-1603862294 |
0.62 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1C=CC(=CC=1)O)OC
|
|
| MCULE-5129842203 |
0.62 |
C12C(CCO)NCCC=1C=C(C(OCC)=C2)OCC
|
|
| MCULE-8760859824 |
0.62 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1C=CC=CC=1OC
|
|
| MCULE-4042690278 |
0.62 |
C12C=C(OC)C(=CC=1CC1C3=C(C=C(OC)C(O)=C23)CN(C)C1)OC1C(=CC=C(OC)C=1OC)CC1N(C)CCC2C=C(OC)C(OC)=CC1=2
|
|
| MCULE-9605240722 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C(OC)=C1)OCC1C=CC=CC=1
|
|
| MCULE-5022763601 |
0.62 |
Cl.C1(C)=C(OC)C(OC)=CC2=C1C(CC1C=CC(O)=CC=1)NCC2
|
|
| MCULE-6943816006 |
0.62 |
[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)[C@@]1([H])CC1C=CC(=CC=1)[O-].I
|
|
| MCULE-3362777972 |
0.62 |
[I-].[N+]1(C)(C)CCC2=C(C=C(C(OC)=C2)OC)C1([H])CC1=CC=C(O)C=C1
|
|
| MCULE-7716398349 |
0.62 |
[I-].[N+]1(C)(C)C(CC2=CC(OC)=C(OC)C=C2)C2=CC(OC)=C(OC)C=C2CC1
|
|
| MCULE-4703348677 |
0.62 |
C12=CC(OCC)=C(OC)C=C1CCN(C)C2CC(C)C
|
|
| MCULE-8560110200 |
0.62 |
C12C(CCNC1C(CO)CO)=CC(=C(OCC)C=2)OCC
|
|
| MCULE-3785656574 |
0.62 |
[NH+]1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=C(C(OC)=C1)OCC1C=CC=CC=1.[Cl-]
|
|
| MolPort-002-149-244 |
0.62 |
COC1=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2)=CC=C1OCC1=CC=CC=C1
|
|
| MolPort-046-762-434 |
0.62 |
C[N+]12CCC3=C(C1CC1=CC=C4OCOC4=C1C2)C(O)=C1OCOC1=C3
|
|
| MolPort-000-731-845 |
0.62 |
[I-].COC1=C(OC)C=C2C(CC3=CC=C(O)C=C3)[N+](C)(C)CCC2=C1
|
|
| MolPort-009-758-169 |
0.62 |
I.COC1=C(OC)C=C2[C@@H](CC3=CC=C([O-])C=C3)[N+](C)(C)CCC2=C1
|
|
| MolPort-002-054-189 |
0.62 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C(CO)CO
|
|
| MolPort-009-757-998 |
0.62 |
Cl.COC1=CC(CN2CCC3=CC(OC)=C(OC)C=C3C2)=CC=C1OCC1=CC=CC=C1
|
|
| MolPort-002-821-586 |
0.62 |
COC1=C(OC)C=C2C(NCCC2=C1)C(C1=CC=CC=C1)C1=CC=C(C)C=C1
|
|
| MolPort-000-730-348 |
0.62 |
[Cl-].COC1=CC(C[NH+]2CCC3=CC(OC)=C(OC)C=C3C2)=CC=C1OCC1=CC=CC=C1
|
|
| MolPort-002-514-606 |
0.61 |
COC1=CC(OC)=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-001-728-064 |
0.61 |
COC1=CC=C(CC2N(C)CCC3=C2C=C(O)C(O)=C3)C=C1OC
|
|
| MolPort-002-149-684 |
0.61 |
COC1=C(OC)C=C2CN(CC3=CC(OCC4=CC=CC=C4)=CC=C3)CCC2=C1
|
|
| MolPort-002-514-872 |
0.61 |
COC1=C2C(CC(O)C3=CC=C(CC(C)C)C=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MCULE-3775135762 |
0.61 |
C12=CC(=C(O)C=C1CCN(C)C2CC1=CC=C(OC)C(OC)=C1)O
|
|
| MCULE-2928504718 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1=CC=CC(=C1)OCC1=CC=CC=C1
|
|
| MCULE-2156282825 |
0.61 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)CC(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1523077282 |
0.61 |
N1(CCC2C(=CC(=C(OCC)C=2)OCC)C1CC1C=CC(=C(OCC)C=1)OCC)C(=O)C1=CC(OC)=C(C(OC)=C1)OC
|
|
| MCULE-8781608015 |
0.61 |
C12=C(CCN(C)C1CC(O)C1C=CC=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6347733673 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-7120454480 |
0.61 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1C=C(OC)C(OC)=CC=1C2
|
|
| MCULE-8212608565 |
0.61 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1=CC(=C(O)C=C1C2)O
|
|
| MCULE-9162219244 |
0.61 |
N12C(C)C3C=C(OC)C(OC)=CC=3CC1C1C=C(OC)C(OC)=CC=1CC2
|
|
| MCULE-4925299859 |
0.61 |
C12CCNC(CC3C=CC(OC)=C(OC)C=3)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-7127931962 |
0.61 |
C12C=C(C(OC)=CC=1CCN[C@@H]2CC1=CC=C(OC)C(OC)=C1)OC
|
|
| MCULE-1367303166 |
0.61 |
C1(OC)C=C2CCN(C)[C@]([H])(CC3C=CC(OC)=C(O)C=3)C2=CC=1O
|
|
| MCULE-4953302730 |
0.61 |
C1(OC)C=C2CCN(C)[C@@]([H])(CC3C=CC(OC)=C(O)C=3)C2=CC=1O
|
|
| MCULE-1347832392 |
0.61 |
C1(CC2C3=CC(OC)=C(OC)C=C3CCN2)C=CC=CC=1
|
|
| MCULE-1060457103 |
0.61 |
C12=C(CCNC1C1=CC=C(C=C1OC)OC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-1872782088 |
0.61 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-1105978207 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-7247659002 |
0.61 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1C=CC(=CC=1)OCC1C=CC=CC=1
|
|
| MCULE-5349811674 |
0.61 |
C1C=C2C(CN(CC2=C(O)C=1OC)C)CC1C=CC=C(OC)C=1O
|
|
| MCULE-4694584761 |
0.61 |
C1C=C2C(CN(CC2=C(O)C=1OC)C)CC1C=CC=C(O)C=1OC
|
|
| MCULE-1700843511 |
0.61 |
N12CCC3=C(C=C4C(OCO4)=C3)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-6909489981 |
0.61 |
N12CCC3C(=CC4=C(OCO4)C=3)[C@@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-6278276399 |
0.61 |
C12C=C(OC)C(=CC=1CCN(C)C2CC1=CC=C(C=C1)OCCC#N)OC.C12C=C(OC)C(=CC=1CCN(C)C2CC1=CC=C(C=C1)OCCC#N)OC.C(O)(=O)C(O)=O
|
|
| 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
|
|
| MolPort-000-712-023 |
0.61 |
CCOC1=CC=C(CC2N(CCC3=CC(OCC)=C(OCC)C=C23)C(=O)C2=CC(OC)=C(OC)C(OC)=C2)C=C1OCC
|
|
| MolPort-002-514-769 |
0.61 |
COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-624 |
0.61 |
COC1=C2C(CC(O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-158-432 |
0.61 |
COC1=C(OC)C=C2[C@H](CC3=CC=C(O)C=C3)NCCC2=C1
|
|
| MolPort-046-158-434 |
0.61 |
COC1=C(O)C=C2[C@@H](CC3=CC=C(O)C=C3)N(C)CCC2=C1
|
|
| MolPort-042-682-691 |
0.61 |
COC1=C(O)C=C(C[C@H]2N(C)CCC3=CC(OC)=C(O)C=C23)C=C1
|
|
| MolPort-005-932-651 |
0.61 |
COC1=CC=C(C[C@H]2NCCC3=CC(OC)=C(OC)C=C23)C=C1OC
|
|
| MolPort-039-338-460 |
0.61 |
COC1=C(O)C=C2[C@H](CC3=CC=C(O)C=C3)[N+](C)(C)CCC2=C1
|
|
| MolPort-002-711-488 |
0.61 |
COC1=CC=C(CC2NCCC3=CC(OC)=C(OC)C=C23)C=C1OC
|
|
| MolPort-005-981-212 |
0.61 |
COC1=CC=C(C[C@@H]2N(C)CCC3=C2C=C(O)C(OC)=C3)C=C1O
|
|
| MolPort-002-714-271 |
0.61 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=C(OC)C=C(OC)C=C1
|
|
| MolPort-000-720-730 |
0.61 |
[I-].COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-170 |
0.61 |
COC1=CC=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-513-869 |
0.61 |
COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-046-680-186 |
0.61 |
[2H]C1N2CCC3=C(C=C4OCOC4=C3)C2([2H])C([2H])C2=CC=C(OC)C(OC)=C12
|
|
| MolPort-001-728-057 |
0.61 |
COC1=C(OC)C2=C(CC3N(CCC4=CC5=C(OCO5)C=C34)C2)C=C1
|
|
| MolPort-002-149-390 |
0.61 |
COC1=C(OC)C=C2CN(CC3=CC=C(OCC4=CC=CC=C4)C=C3)CCC2=C1
|
|
| MolPort-035-705-719 |
0.61 |
COC1=CC=C2C[C@@H]3N(CCC4=C3C=C3OCOC3=C4)CC2=C1OC
|
|
| MolPort-001-728-139 |
0.61 |
COC1=C(OC)C2=C(C[C@H]3N(CCC4=CC5=C(OCO5)C=C34)C2)C=C1
|
|
| MolPort-027-850-047 |
0.61 |
OC(=O)C(O)=O.COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCCC#N)C=C1)N(C)CC2.COC1=CC2=C(C=C1OC)C(CC1=CC=C(OCCC#N)C=C1)N(C)CC2
|
|
| MolPort-002-514-529 |
0.60 |
COC1=CC(C(O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)=C(OC)C=C1
|
|
| MolPort-038-384-918 |
0.60 |
Cl.COC1=CC=C(C[C@@H]2NCCC3=CC(OC)=C(OC)C=C23)C=C1OC
|
|
| MolPort-046-690-082 |
0.60 |
Cl.COC1=C(O)C=C2[C@H](CC3=CC(O)=C(O)C=C3)N(C)CCC2=C1
|
|
| MolPort-046-690-894 |
0.60 |
Cl.COC1=C(O)C=C(C[C@@H]2N(C)CCC3=CC(OC)=C(O)C=C23)C=C1
|
|
| MolPort-002-500-281 |
0.60 |
Cl.COC1=CC=C(C[C@H]2NCCC3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-001-770-233 |
0.60 |
Cl.COC1=CC=C(CC2NCCC3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-002-715-079 |
0.60 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C(C)CC
|
|
| MolPort-001-728-115 |
0.60 |
COC1=C2C(C(C#N)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-720-053 |
0.60 |
[I-].COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-715-078 |
0.60 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C(CC)CC
|
|
| MolPort-046-594-389 |
0.60 |
COC1=C(O)C=C2CC3C4=CC(O)=C(OC)C=C4CC[N+]3(C)CC2=C1
|
|
| MolPort-023-220-751 |
0.60 |
COC1=CC2=C(C[C@H]3C4=CC(O)=C(OC)C=C4CC[N+]3(C)C2)C=C1O
|
|
| MolPort-046-763-412 |
0.60 |
Cl.COC1=C(OC)C2=C(CC3N(CCC4=C3C=C3OCOC3=C4)C2)C=C1
|
|
| MolPort-001-728-219 |
0.60 |
CCOC1=CC=C(CC2N(CCC3=C2C=C(OCC)C(OCC)=C3)C(=O)CCl)C=C1OCC
|
|
| MolPort-002-713-868 |
0.60 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1=C(O)C=CC=C1OC
|
|
| MCULE-5600894184 |
0.60 |
Cl.N12C(C)C3C=C(OC)C(OC)=CC=3CC1C1C=C(OC)C(OC)=CC=1CC2
|
|
| MCULE-5024944275 |
0.60 |
C12C(C)N(C)CC(O)C1=CC(OC)=C(OC)C=2O
|
|
| MCULE-2144214276 |
0.60 |
C12=C(CCN(C)C1CC(O)C1C=C(OC)C=CC=1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-1092485874 |
0.60 |
Br.C12=C(CCNC1CC1=CC=C(C(OC)=C1)OC)C=C(C(OC)=C2)OC
|
|
| MCULE-1380409514 |
0.60 |
Cl.C12CCNC(CC3C=CC(OC)=C(OC)C=3)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-1856051680 |
0.60 |
Cl.C12C=C(C(OC)=CC=1CCN[C@@H]2CC1=CC=C(OC)C(OC)=C1)OC
|
|
| MCULE-1200373525 |
0.60 |
I.C12C(CCNC1CC1=CC=C(C(OC)=C1)OC)=CC(=C(OC)C=2)OC
|
|
| MCULE-5941065349 |
0.60 |
C12C(CC(C)C)NCCC1=CC(OC)=C(OCC)C=2
|
|
| MCULE-2468125249 |
0.60 |
C12=C(CCNC1C(CC)CC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-8183680162 |
0.60 |
C12=C(CCNC1C(C)CC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-2081124866 |
0.60 |
C12C(CC3=CC=CC=C3)N(C)CC(O)C1=CC(OC)=C(O)C=2
|
|
| MCULE-1695698142 |
0.60 |
[H]Cl.C12=C(CCNC1C1=CC=C(C=C1OC)OC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-7826072892 |
0.60 |
C12CN(C)CCC3C=C4C(OCO4)=CC=3C(O)CC=1C=CC(OC)=C2OC
|
|
| MCULE-4496998604 |
0.60 |
C12=C(CCN(C)C1C(C1C=CC=CC=1)C#N)C=C1C(OCO1)=C2OC
|
|
| MCULE-2870382656 |
0.60 |
C[N@+]12CC3C(=CC(=C(C=3)OC)O)C[C@@]1([H])C1C(=CC(=C(C=1)O)OC)CC2
|
|
| MCULE-8291298220 |
0.60 |
N12CC3=CC(OC)=C(C=C3CC1C1C(CC2)=CC(OC)=C(O)C=1)O
|
|
| MCULE-6211989689 |
0.60 |
C1(OC)C=C2CC[N+]3(C)[C@@]([H])(CC4C=C(O)C(OC)=CC=4C3)C2=CC=1O
|
|
| MCULE-7545584293 |
0.60 |
N1(CCC2=C(C=C(C(OCC)=C2)OCC)C1CC1=CC=C(C(OCC)=C1)OCC)C(CCl)=O
|
|
| MCULE-7915248745 |
0.60 |
N1(C)C(CC2C(N(=O)=O)=CC(OC)=C(OC)C=2)C2C(OC)=C(OC)C(OC)=CC=2CC1
|
|
| MCULE-1195280672 |
0.60 |
C12C(CC3C=CC(OC)=CC=3)NCCC1=CC(O)=C(OC)C=2
|
|
| MCULE-9950210114 |
0.60 |
C1(NCCC2C=C(C(OCC)=CC1=2)OCC)C1=C(C=CC=C1O)OC
|
|
| MCULE-3935956997 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-3623977626 |
0.60 |
C12=C(CCN(C)C1CC(O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3838596878 |
0.60 |
C1(=CC(OC)=C(C=C1OC)OC)C1NCCC2C=C(C(OCC)=CC1=2)OCC
|
|
| MCULE-9342278607 |
0.60 |
[H]Cl.C12=C(CCNC1C(CC)CC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-2722992989 |
0.60 |
[H]Cl.C12=C(CCNC1C(C)CC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-7463631898 |
0.60 |
C12C=C(OC)C(=CC=1CC(NC2CC1C=CC=CC=1)(C)C)OC
|
|
| MCULE-7935540762 |
0.60 |
N1(CCC2=C(C=CC=C2)C1)CC1=CC=C(C(OCC2=CC=CC=C2)=C1)OC
|
|
| MCULE-5656969981 |
0.60 |
C1C(OC)=C(OC)C=C2C=1CCN1CC3C4OCOC=4C=CC=3[C@H](C)[C@]21[H]
|
|
| MCULE-7411451677 |
0.60 |
C1(OC)C=C2CCN3CC4C5OCOC=5C=CC=4CC3C2=CC=1OC
|
|
| MCULE-1407847664 |
0.60 |
[Cl-].C[N@+]12CC3C(=CC(=C(C=3)OC)O)C[C@@]1([H])C1C(=CC(=C(C=1)O)OC)CC2
|
|
| MCULE-7256042540 |
0.60 |
[Cl-].C1(OC)C=C2CC[N+]3(C)[C@@]([H])(CC4C=C(O)C(OC)=CC=4C3)C2=CC=1O
|
|
| MCULE-8730131893 |
0.60 |
C12=C(CCN(C)C1CC(C)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-5023572544 |
0.60 |
[H]Cl.C1(NCCC2C=C(C(OCC)=CC1=2)OCC)C1=C(C=CC=C1O)OC
|
|
| MCULE-1307540705 |
0.60 |
C12=C(CCNC1C1CCCCC1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-6345887730 |
0.60 |
[N+]1(C)(CCCC[N+]2(C)CCC3=C(C=C(C(OC)=C3)OC)C2CC2=CC=C(OC)C=C2)CCC2=C(C=C(C(OC)=C2)OC)C1CC1C=CC(OC)=CC=1
|
|
| MCULE-7429300053 |
0.60 |
C12C(CC3C=CC(OC)=CC=3)NCCC1=CC(O)=C(OC)C=2.Cl
|
|
| MCULE-5876741895 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
