| MCULE-3654166896 |
0.99 |
C12(CC3NCCC4=CC(OC)=C(OC)C1=C34)C=CC(=O)C=C2
|
|
| MCULE-7642427371 |
0.99 |
C12(C[C@@]3(C4=C(CCN3)C=C(OC)C(OC)=C14)[H])C=CC(=O)C=C2
|
|
| MolPort-001-943-939 |
0.99 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)NCCC3=C1
|
|
| MCULE-5338203904 |
0.98 |
C12(C=CC(C=C1)=O)CC1C3C(=CC(OC)=C(OC)C=32)CCN1C
|
|
| MolPort-001-942-728 |
0.98 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(C)CCC3=C1
|
|
| MolPort-001-942-727 |
0.98 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)[N+](C)(C)CCC3=C1
|
|
| MolPort-009-758-386 |
0.94 |
OS(O)(=O)=O.COC1=C(OC)C2=C3[C@@H](CC22C=CC(=O)C=C2)NCCC3=C1
|
|
| MolPort-000-696-136 |
0.94 |
OS([O-])(=O)=O.COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)[NH2+]CCC3=C1
|
|
| MCULE-8022675444 |
0.94 |
C12(C[C@@]3(C4=C(CCN3)C=C(OC)C(OC)=C14)[H])C=CC(=O)C=C2.S(O)(O)(=O)=O
|
|
| MCULE-4538645287 |
0.94 |
C12(CC3C4=C(CC[NH2+]3)C=C(OC)C(OC)=C14)C=CC(=O)C=C2.S(O)(=O)(=O)[O-]
|
|
| MCULE-8022847521 |
0.92 |
C12(C=CC(C=C1)=O)CC1C3=C(C=C(OC)C(OC)=C32)CCN1C(C)=O
|
|
| MolPort-001-918-385 |
0.92 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(CCC3=C1)C(C)=O
|
|
| MCULE-3291070908 |
0.89 |
N1(CCC2C3=C(C4(C=CC(C=C4)=O)CC31)C(=C(OC)C=2)OC)C(C1C=CC=CC=1)=O
|
|
| MolPort-001-990-942 |
0.89 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(CCC3=C1)C(=O)C1=CC=CC=C1
|
|
| MolPort-001-990-941 |
0.86 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(CCC3=C1)C(=O)CCC(O)=O
|
|
| MCULE-8307307639 |
0.86 |
C12(C=CC(C=C1)=O)CC1C3C(=CC(OC)=C(OC)C=32)CCN1C(CCC(O)=O)=O
|
|
| MCULE-2160778529 |
0.76 |
C12(C=CC(C=C1)=NNC(N)=O)CC1C3=C(C=C(OC)C(OC)=C32)CCN1C(C)=O
|
|
| MolPort-001-942-721 |
0.76 |
COC1=C(OC)C2=C3C(CC22C=CC(C=C2)=NNC(N)=O)N(CCC3=C1)C(C)=O
|
|
| MolPort-002-325-566 |
0.73 |
COC1=C(OC)C2=C3C(CC22C=CC(C=C2)=NNC(N)=S)N(CCC3=C1)C(C)=O
|
|
| MCULE-2440351955 |
0.73 |
C12(C=CC(C=C1)=NNC(N)=S)CC1C3=C(C=C(OC)C(OC)=C32)CCN1C(C)=O
|
|
| MCULE-5347240072 |
0.72 |
S(=O)(=O)(C1=CC=C(C=C1)C)N1CCC2C3=C(C4(C=CC(C=C4)=O)CC13)C(=C(OC)C=2)OC
|
|
| MolPort-002-243-504 |
0.72 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(CCC3=C1)S(=O)(=O)C1=CC=C(C)C=C1
|
|
| MCULE-1514692384 |
0.70 |
C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
|
|
| MCULE-6259345237 |
0.70 |
[I-].C12C3CC=CCC3C[N+]1(C)CCC1C=C(OC)C(OC)=CC2=1
|
|
| MolPort-002-713-281 |
0.69 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C1CCC=CC1
|
|
| MCULE-3536652377 |
0.69 |
C12=C(CCNC1C1CCC=CC1)C=C(C(OCC)=C2)OCC
|
|
| MCULE-5542313374 |
0.69 |
[H]Cl.C12=C(CCNC1C1CCC=CC1)C=C(C(OCC)=C2)OCC
|
|
| MolPort-002-513-326 |
0.68 |
COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-270 |
0.68 |
COC1=C2C(CC(=O)\C=C\C3C(C)=CCCC3(C)C)[N+](C)(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-002-513-112 |
0.67 |
COC1=C2C(CC(=O)C(\C)=C\C3C(C)=CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-276 |
0.66 |
COC1=C2C(CC(=O)\C=C\C(C)(C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-824-435 |
0.66 |
Cl.COC1=C2C(CC(=O)\C=C\C(C)(C)CC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MCULE-5486251596 |
0.66 |
C12=C(CCN(C)C1CC(=O)C=CC(C)(C)C/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-7677232966 |
0.66 |
Cl.C12=C(CCN(C)C1CC(=O)C=CC(C)(C)C/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-3926491748 |
0.66 |
N1(C)C(CCC2C=C(OC)C(O)=C(OC)C=2)C2C=C(O)C(OC)=CC=2CC1
|
|
| MCULE-5858172771 |
0.66 |
C12C(CCC3C=CC=CC=3)NCCC=1C=C(C(OC)=C2)OC
|
|
| MolPort-003-733-569 |
0.66 |
COC1=C(OC)C=C2C(CCC3=CC=CC=C3)NCCC2=C1
|
|
| MolPort-002-513-336 |
0.65 |
COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-172 |
0.65 |
COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MCULE-6666860128 |
0.65 |
Cl.N1(C)C(CCC2C=C(OC)C(O)=C(OC)C=2)C2C=C(O)C(OC)=CC=2CC1
|
|
| MCULE-1844335967 |
0.65 |
C12=C(CCN(C)C1CC(=O)/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1520472800 |
0.65 |
C12=C(CC[N+](C)(C)C1CC(=O)/C=C(/C)\C)C=C1C(OCO1)=C2OC
|
|
| MolPort-000-699-726 |
0.65 |
[I-].COC1=C2C(CC(=O)\C=C\C3CC=C(C)CC3C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-181 |
0.65 |
COC1=C2C(CC(=O)C=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-311 |
0.65 |
COC1=C2C(CC(=O)C=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-742-857 |
0.64 |
[I-].COC1=C2C(CC(=O)C=C(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-340 |
0.64 |
COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-517-348 |
0.64 |
COC1=C[C@@]23CCN(C)[C@@H](CC4=C2C(OC)=C(O)C=C4)C3=CC1=O
|
|
| MCULE-3953892889 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(=O)/C=C(/C)\C)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-4497568477 |
0.64 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-5221048285 |
0.64 |
C12=C(CC[NH+](C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-6360277783 |
0.64 |
[C@@]123CCN([C@@H](CC4=CC=C(O)C(OC)=C14)C2=CC(=O)C(OC)=C3)C
|
|
| MCULE-9811830415 |
0.64 |
C1(OC)C=CC2C[C@@H]3N(CC[C@]4(C=C(OC)C(=O)C=C43)C=2C=1O)C
|
|
| MCULE-5371671745 |
0.64 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CCC=CC1
|
|
| MCULE-3598814286 |
0.64 |
[Cl-].C12=C(CC[NH+](C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-6725886454 |
0.64 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-6205003288 |
0.64 |
C1(OC)C(OC)=CC2C(CCC)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-9251664006 |
0.64 |
COCCCN1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1
|
|
| MCULE-1316279878 |
0.64 |
C12N(CCC3C=C(OC)C(OC)=CC1=3)C(=O)C1CC=CCC21
|
|
| MCULE-6323143737 |
0.64 |
C12=C(CCNC1CC(C)C)C=C(C(OC)=C2)OC
|
|
| MCULE-5420536073 |
0.64 |
C1(OC)=C(O)C=C2C(CCN(C)C2CC(C)C)=C1
|
|
| MolPort-035-705-636 |
0.64 |
COC1=C[C@@]23CCN(C)[C@@H](CC4=C2C(O)=C(OC)C=C4)C3=CC1=O
|
|
| MolPort-039-009-201 |
0.64 |
COC1=CC2=C(C=C1OC)C1CC(CCN1CC2)C1=CC=CC=C1
|
|
| MolPort-046-600-619 |
0.64 |
COC1=C(OC)C=C2C(CC(C3=CC=CC=C3)C3=CC=CC=C3)NCCC2=C1
|
|
| MolPort-002-149-219 |
0.64 |
COC1=C(OC)C=C2CN(CC3CCC=CC3)CCC2=C1
|
|
| MolPort-009-758-102 |
0.64 |
Cl.COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-704-354 |
0.64 |
[Cl-].COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-711-733 |
0.64 |
[I-].COC1=C2C(CC(=O)\C=C\C3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-045-991-505 |
0.64 |
COCCCN1CCC2=CC(OC)=C(OC)C=C2C1C1CC1
|
|
| MolPort-002-513-098 |
0.63 |
COC1=C2C(CC(=O)C3=CCC4C5CC[C@H]6CC(O)CC[C@]6(C)C5CC[C@]34C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-023-276-304 |
0.63 |
Cl.COC1=CC2=C(C=C1O)C(CCC1=CC=C(Cl)C=C1)N(C)CC2
|
|
| MolPort-000-721-313 |
0.63 |
[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-046-122-150 |
0.63 |
COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(=O)C=C1CCC1
|
|
| MolPort-009-758-113 |
0.63 |
[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-008-440-376 |
0.63 |
Cl.COC1=C(OC)C=C2C(CC(C)C)NCCC2=C1
|
|
| MolPort-003-733-563 |
0.63 |
COC1=C(OC)C=C2C(NCCC2=C1)C1CC1
|
|
| MCULE-8407052594 |
0.63 |
[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-1468712024 |
0.63 |
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-9998216031 |
0.63 |
[NH2+]1C(C)(C)CC2=C(C=C(C(OC)=C2)OC)C1CCCO
|
|
| MCULE-7524574681 |
0.63 |
[I-].C1(OC)C(OC)=CC2C(CCC)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-8835467700 |
0.63 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2(COC2)C)=C1
|
|
| MCULE-4071678887 |
0.63 |
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-5665361372 |
0.63 |
COC1=C(OC)C=C2C(CCN(C(/C=C3\CCC\3)=O)C2C2CC2)=C1
|
|
| MCULE-9661243315 |
0.63 |
C12CCNC(C1=CC(=C(C=2)OC)OC)CCCO
|
|
| MCULE-1681980695 |
0.63 |
COC1C(OC)=CC2=C(CCNC2C2CC2)C=1
|
|
| MCULE-8073345152 |
0.63 |
C12=C(CCNC1CC(C)C)C=C(C(OC)=C2)OC.Cl
|
|
| MCULE-2232276996 |
0.63 |
[Cl-].[NH2+]1C(C)(C)CC2=C(C=C(C(OC)=C2)OC)C1CCCO
|
|
| MCULE-1426657592 |
0.63 |
C12=C(CCN(C)C1CC(=O)C(=C)CC=C(C)CC/C=C(\C)/C)C=C1C(OCO1)=C2OC
|
|
| MCULE-9841539432 |
0.63 |
C12C3(CCCCC3)C[NH2+]C(CCC3=CC=C(C(OC)=C3)OC)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-8850292099 |
0.63 |
C12C3(CCCCC3)CNC(CCC3=CC=CC=C3)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-3458399117 |
0.63 |
C12=C(CCNC1([H])CC(O)C1C=CC=CC=1)C=C(C(OC)=C2)OC
|
|
| MolPort-009-757-552 |
0.63 |
Cl.COC1=CC2=C(C=C1OC)C(CCCO)NC(C)(C)C2
|
|
| MolPort-000-739-266 |
0.63 |
[Cl-].COC1=C(OC)C=C2C(CCCO)[NH2+]C(C)(C)CC2=C1
|
|
| MolPort-002-513-147 |
0.63 |
COC1=C2C(CC(=O)C(=C)C\C=C(/C)CCC=C(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-854 |
0.63 |
COC1=C2C(CC(=O)\C=C(\O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-045-902-304 |
0.63 |
COC1=CC2=C(C=C1OC)C1(CCCCC1)CNC2CCC1=CC=CC=C1
|
|
| MolPort-002-054-185 |
0.63 |
COC1=C(OC)C=C2[C@@H](C[C@@H](O)C3=CC=CC=C3)NCCC2=C1
|
|
| MolPort-044-605-144 |
0.63 |
Cl.COC1=CC2=C(C=C1OC)C1(CCC1)NCC2
|
|
| MolPort-023-279-310 |
0.63 |
COC1=C(OC)C=C2[C@H](CCC3=CC=C(C=C3)C(F)(F)F)NCCC2=C1
|
|
| MolPort-000-707-236 |
0.62 |
[I-].COC1=C2C(CC(=O)\C=C(\O)C(F)(F)F)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-212 |
0.62 |
COC1=C(OC)C=C2C3CCC4=C(CC(C)(C)CC4=O)N3CCC2=C1
|
|
| MolPort-002-515-769 |
0.62 |
COC1=C2C(CC(=O)\C=C\C=C(\C)CCC3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-704-377 |
0.62 |
[Cl-].COC1=CC=C(CCC2[NH2+]CC3(CCCCC3)C3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-027-717-717 |
0.62 |
COC1=C2C(CC(=O)C=CC=C(C)CCC3=C(C)CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-757-663 |
0.62 |
Cl.COC1=CC=C(CCC2NCC3(CCCCC3)C3=C2C=C(OC)C(OC)=C3)C=C1OC
|
|
| MolPort-002-513-317 |
0.62 |
COC1=C2C(CC(=O)\C=C\C=C(\C)CCC3=C(C)CCCC3(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-039-002-866 |
0.62 |
COC1=CC=C2C(CCC2=C1OC)NCCN1CCC2=CC=CC=C2C1
|
|
| 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-002-115-199 |
0.62 |
COC1=C(OC)C=C2CN(CC3CC4CC3C=C4)CCC2=C1
|
|
| MCULE-2190839823 |
0.62 |
[Cl-].C12C3(CCCCC3)C[NH2+]C(CCC3=CC=C(C(OC)=C3)OC)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-8716977248 |
0.62 |
COC1C=CC2C(NCCN3CC4C=CC=CC=4CC3)CCC=2C=1OC
|
|
| MCULE-9792486342 |
0.62 |
C12=C(CCN(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-6067588070 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC
|
|
| MCULE-5349811674 |
0.62 |
C1C=C2C(CN(CC2=C(O)C=1OC)C)CC1C=CC=C(OC)C=1O
|
|
| MCULE-4703348677 |
0.62 |
C12=CC(OCC)=C(OC)C=C1CCN(C)C2CC(C)C
|
|
| MCULE-5124333350 |
0.62 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1CC=C2C(=O)CC1N(C)CCC2C=C3C(OCO3)=C(OC)C1=2
|
|
| MCULE-1938191314 |
0.62 |
N1(CCC2=C(C=C(C(OC)=C2)OC)C1)CC1CC2CC1C=C2
|
|
| MCULE-2468125249 |
0.62 |
C12=C(CCNC1C(CC)CC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-5941065349 |
0.62 |
C12C(CC(C)C)NCCC1=CC(OC)=C(OCC)C=2
|
|
| MCULE-8183680162 |
0.62 |
C12=C(CCNC1C(C)CC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-1592007325 |
0.62 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC=C(C)CCC1C(C)(C)CCCC=1C)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-1183853671 |
0.62 |
O=C1C[C@@]2([H])[C@]3(C4C(=CC=C(C=4O2)OC)CN(C)CC3)C=C1
|
|
| MCULE-9608406063 |
0.62 |
N1(C(C)CCC2=CC=C(C=C2)OC)CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-8027458524 |
0.62 |
N1(C(C)CCC2C=CC=CC=2)CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-1596792802 |
0.62 |
N1(C(C)CCC2=CC=C(C=C2)O)CCC2=C(C=C(C(OC)=C2)OC)C1
|
|
| MCULE-2722992989 |
0.62 |
[H]Cl.C12=C(CCNC1C(C)CC)C=C(C(OCC)=C2)OCC
|
|
| MCULE-9342278607 |
0.62 |
[H]Cl.C12=C(CCNC1C(CC)CC)C=C(C(OCC)=C2)OCC
|
|
| MolPort-002-715-079 |
0.62 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C(C)CC
|
|
| MolPort-002-715-078 |
0.62 |
CCOC1=C(OCC)C=C2C(NCCC2=C1)C(CC)CC
|
|
| MolPort-046-793-174 |
0.62 |
COC1=C2OC3CC(=O)C=CC33CCN(C)CC(C=C1)=C23
|
|
| MolPort-003-847-558 |
0.62 |
COC1=C2O[C@H]3CC(=O)C=C[C@]33CCN(C)CC(C=C1)=C23
|
|
| MolPort-000-697-389 |
0.62 |
[I-].COC1=C2C(CC(=O)\C=C\C=C(\C)CCC3=C(C)CCCC3(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-044-722-227 |
0.62 |
COC1=C(OC)C=C2CN(CCC2=C1)C(C)CCC1=CC=CC=C1
|
|
| MolPort-044-722-162 |
0.62 |
COC1=C(OC)C=C2CN(CCC2=C1)C(C)CCC1=CC=C(O)C=C1
|
|
| MolPort-002-150-422 |
0.62 |
COC1=CC=C(CCC(C)N2CCC3=CC(OC)=C(OC)C=C3C2)C=C1
|
|
| MolPort-046-121-242 |
0.61 |
COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(C)=O
|
|
| MolPort-002-513-225 |
0.61 |
COC1=C2C(CC(=O)C3=C(O)C=CC(C)=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-859-392 |
0.61 |
COC1=C2C(CC(=O)C3=C(O)C=CC(C)=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-196-623 |
0.61 |
COC1=C(OC)C=C2C(CC(=CC3CCN(CC4=CC=CC=C4)CC3)C2=O)=C1
|
|
| MolPort-000-881-566 |
0.61 |
COC1=C(OC)C=C2C(C\C(=C/C3CCN(CC4=CC=CC=C4)CC3)C2=O)=C1
|
|
| MolPort-002-513-178 |
0.61 |
COC1=C2C(CC(=O)\C=C\C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-187 |
0.61 |
COC1=C2C(CC(=O)\C=C\C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-730-738 |
0.61 |
COC1=CC2=C(C=C1OC)C(N(CC2)C(C)=O)C1=C(O)CCCC1=O
|
|
| 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-002-510-674 |
0.61 |
COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCC1)C2
|
|
| MolPort-002-513-296 |
0.61 |
COC1=C(OC)C=C2C3CC(=O)C=C(C)N3CCC2=C1
|
|
| MolPort-002-514-170 |
0.61 |
COC1=CC=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-045-991-286 |
0.61 |
CCC(=O)N1CCC2=CC(OC)=C(OC)C=C2C1C1CC1
|
|
| MolPort-000-741-298 |
0.61 |
[I-].COC1=C2C(CC(=O)C3=C(O)C=CC(C)=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-741-838 |
0.61 |
[I-].COC1=C2C(CC(=O)\C=C\C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-426 |
0.61 |
COC1=CC=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MCULE-8233858649 |
0.61 |
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-3253767593 |
0.61 |
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-6816023217 |
0.61 |
COC1=C(OC)C=C2C(CCN(C(C)=O)C2C2CC2)=C1
|
|
| MCULE-3384787041 |
0.61 |
O=C1C2C=C(C(=CC=2C/C/1=C\C1CCN(CC2C=CC=CC=2)CC1)OC)OC
|
|
| MCULE-9164576534 |
0.61 |
C1(=CC2CCN(CC2)CC2=CC=CC=C2)CC2=C(C=C(C(OC)=C2)OC)C1=O
|
|
| MCULE-7012499883 |
0.61 |
C12=C(CCN(C)C1CC(=O)C1C=C(C)C=CC=1O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1942001997 |
0.61 |
COC1=C(OC)C=C2CN(CC3=C(O)C=C4CCCC4=C3)CCC2=C1
|
|
| MCULE-5084101050 |
0.61 |
C12=C(CCN(C)C1CC(=O)C=CC1=CC=CC=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-8419124340 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C=CC=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-2040765671 |
0.61 |
C12C=C(OC)C(=CC=1C1(CN(CCCN)C2C)CCCC1)OC
|
|
| MCULE-7751160260 |
0.61 |
N1(C2CC=CC(=O)C2)CCC2C(=CC(=C(OC)C=2)O)C1
|
|
| MCULE-9296787161 |
0.61 |
C1(C2C=C(OC)C(=CC=2CCN1C(C)=O)OC)C1C(CCCC=1O)=O
|
|
| MCULE-3783274106 |
0.61 |
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 |
0.61 |
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
|
|
| MCULE-8092338781 |
0.61 |
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-4694584761 |
0.61 |
C1C=C2C(CN(CC2=C(O)C=1OC)C)CC1C=CC=C(O)C=1OC
|
|
| MCULE-1147558865 |
0.61 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1CC(=O)C=C2C
|
|
| MCULE-1872782088 |
0.61 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-4457029529 |
0.61 |
C12C(CC=C)NC3(CCCC3)CC=1C=C(OC)C(OC)=C2
|
|
| MCULE-4361313761 |
0.61 |
CCC(N1C(C2CC2)C2=C(C=C(C(=C2)OC)OC)CC1)=O
|
|
| MCULE-7082684567 |
0.61 |
COC1C=CC(CC(NC2C3C=CC=CC=3CC2)C)=CC=1OC
|
|
| MCULE-1879064847 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C=CC=CC=1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-5506248577 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3329567447 |
0.61 |
C1(OC)C=C2CCN3C[C@H](CC)[C@@H](C[C@@]4([H])NCCC5C=C(OC)C(OC)=CC4=5)C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-3993706568 |
0.61 |
C1(=C(C=C2C(CCN3CC(CC)C(CC23)CC2C3C=C(OC)C(OC)=CC=3CCN2)=C1)OC)OC
|
|
| MCULE-9876526208 |
0.61 |
C([C@@]1([H])NCCC2=CC(O)=C(OC)C=C12)[C@@H]1[C@H](CN2CCC3C=C(OC)C(OC)=CC=3[C@]2([H])C1)CC
|
|
| MCULE-6140829853 |
0.61 |
C12C(CCN(C)C1CC(=O)C=CC1C=CC(=CC=1)OCC)=CC1=C(OCO1)C=2OC
|
|
| MCULE-6840023402 |
0.61 |
C12C=C(OC)C(=CC=1C1(CN(CCCN)C2C)CCCC1)OC.Cl.Cl
|
|
| MCULE-1663357430 |
0.61 |
C123CCN(C)C(CC4C=CC(OC)=C(O)C1=4)C2=CCC(OC)=C3
|
|
| MCULE-1404654898 |
0.61 |
C1(C)=C(OC)C(OC)=CC2=C1C(CC1C=CC(O)=CC=1)NCC2
|
|
| MCULE-5574153733 |
0.61 |
C1(OC)C(OC)=CC2C(C3CCCCC3)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-7092618745 |
0.61 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1C=CC(OC)=CC=1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-4060727120 |
0.61 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC(N)=O)=C1
|
|
| MCULE-5543469571 |
0.61 |
[NH2+]1C2(CCCC2)CC2=C(C=C(C(OC)=C2)OC)C1CC=C.[Cl-]
|
|
| MCULE-1601984791 |
0.61 |
COC1=C(OC)C=C2C(CCN(C(CC(C)C)=O)C2C2CC2)=C1
|
|
| MCULE-1332611476 |
0.61 |
C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
|
|
| MCULE-8048783243 |
0.61 |
N12CCC3=C(C=C(C(OC)=C3)OC)C1CC(=O)C1CCCCC2=1
|
|
| MCULE-9674501627 |
0.61 |
Cl.C1(OC)C=C2CCN3C[C@H](CC)[C@@H](C[C@@]4([H])NCCC5C=C(OC)C(OC)=CC4=5)C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-6176661820 |
0.61 |
C(C1([H])NCCC2C=C(OC)C(OC)=CC1=2)C1C(CN2CCC3C=C(OC)C(OC)=CC=3C2([H])C1)CC.Cl
|
|
| MCULE-6495665471 |
0.61 |
N12CC(CC)C(CC3NCCC4=CC(OC)=C(OC)C=C34)CC1C1C=C(OC)C(OC)=CC=1CC2.Br
|
|
| MCULE-1754478820 |
0.61 |
C([C@@]1([H])NCCC2=CC(O)=C(OC)C=C12)[C@@H]1[C@H](CN2CCC3C=C(OC)C(OC)=CC=3[C@]2([H])C1)CC.Cl[H].Cl[H]
|
|
| MCULE-9330327410 |
0.61 |
[H]Cl.[H]Cl.COC1C(OC)=CC2CCN[C@H](C[C@H]3C[C@]4([H])N(CCC5C4=CC(OC)=C(OC)C=5)C[C@@H]3CC)C=2C=1
|
|
| MCULE-3232466040 |
0.61 |
C(C1([H])NCCC2C=C(OC)C(OC)=CC1=2)C1C(CN2CCC3C=C(OC)C(OC)=CC=3C2([H])C1)CC.Cl.Cl
|
|
| MolPort-005-945-897 |
0.61 |
CCC1CN2CCC3=C(C=C(OC)C(OC)=C3)C2CC1CC1NCCC2=C1C=C(OC)C(OC)=C2
|
|
| MolPort-001-742-665 |
0.61 |
CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(O)=C2
|
|
| MolPort-002-512-839 |
0.61 |
CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-002-514-606 |
0.61 |
COC1=CC(OC)=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-002-517-339 |
0.61 |
CCOC1=CC=C(\C=C\C(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1
|
|
| MolPort-016-584-259 |
0.61 |
Cl.Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CN(CCCN)C2C
|
|
| MolPort-000-699-363 |
0.61 |
[I-].COC1=CC=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-000-720-053 |
0.61 |
[I-].COC1=CC=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-000-712-320 |
0.61 |
[Cl-].COC1=C(OC)C=C2C(CC=C)[NH2+]C3(CCCC3)CC2=C1
|
|
| MolPort-003-181-932 |
0.61 |
Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCC1)C2
|
|
| MolPort-002-508-854 |
0.61 |
COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCCC1)C2
|
|
| MolPort-045-993-684 |
0.61 |
COC1=CC2=C(C=C1OC)C(C1CC1)N(CC(N)=O)CC2
|
|
| MolPort-045-991-287 |
0.61 |
COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(=O)CC(C)C
|
|
| MolPort-002-875-875 |
0.61 |
COC1=C(OC)C=C2C3CC(=O)C4=C(CCCC4)N3CCC2=C1
|
|
| MolPort-003-928-002 |
0.61 |
O.Cl.Cl.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(OC)=C2
|
|
| MolPort-035-705-715 |
0.61 |
COC1=CC=C2CC[N+](C)(C)[C@@H](CC3=CC=C(O)C=C3)C2=C1O
|
|
| MolPort-000-731-722 |
0.61 |
O.[Cl-].[Cl-].CC[C@H]1C[NH+]2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1[NH2+]CCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-039-140-629 |
0.61 |
Cl.Cl.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(O)=C2
|
|
| MolPort-004-964-890 |
0.61 |
Cl.CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1NCCC2=CC(OC)=C(OC)C=C12
|
|
| MolPort-000-752-501 |
0.61 |
[I-].CCOC1=CC=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-027-717-774 |
0.61 |
[I-].CCOC1=CC=C(C=CC(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1
|
|
| MolPort-027-835-921 |
0.61 |
Cl.Cl.CC[C@H]1CN2CCC3=C(C=C(OC)C(OC)=C3)[C@@H]2C[C@@H]1C[C@H]1NCCC2=C1C=C(OC)C(OC)=C2
|
|
| MolPort-002-514-769 |
0.60 |
COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-624 |
0.60 |
COC1=C2C(CC(O)C3=CC=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-001-728-168 |
0.60 |
COC1=CC2=C(C=C1OC)C1C(C)C3=CC=C(OC)C(OC)=C3CN1CC2
|
|
| MolPort-001-728-102 |
0.60 |
COC1=C(OC)C=C2C3CC4=C(C[NH+]3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-000-882-010 |
0.60 |
COC1=C(O)C=C2CCN3CC4=C(C[C@@H]3C2=C1)C=CC(OC)=C4OC
|
|
| MolPort-000-881-202 |
0.60 |
COC1=CC2=C(C=C1OC)[C@@H]1CC3=C(CN1CC2)C(OC)=C(OC)C=C3
|
|
| MolPort-001-740-784 |
0.60 |
COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-001-974-917 |
0.60 |
COC1=CC2=C(C=C1OC)C1(CCCC1)CNC2C
|
|
| MolPort-001-728-103 |
0.60 |
COC1=C(OC)C=C2[C@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-000-487-312 |
0.60 |
COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-023-332-930 |
0.60 |
COC1=CC=C2C[C@@H]3N(CCC4=CC(OC)=C(O)C=C34)CC2=C1OC
|
|
| MolPort-039-052-634 |
0.60 |
COC1=C(O)C=C2CCN3CC4=C(C[C@H]3C2=C1)C=CC(OC)=C4OC
|
|
| MolPort-019-996-257 |
0.60 |
COC1=CC2=C(C=C1OC)[C@@H]1CC3=C(CN1CC2)C(OC)=C(O)C=C3
|
|
| MolPort-044-649-467 |
0.60 |
COC1=CC2=C(CCN3CC4=C(CC23)C=CC(OC)=C4OC)C=C1O
|
|
| MolPort-039-052-373 |
0.60 |
COC1=C(OC)C=C2[C@H]3C(C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-046-790-508 |
0.60 |
COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(O)C=C4
|
|
| MolPort-045-993-686 |
0.60 |
COC1=CC2=C(C=C1OC)C(C1CC1)N(CC1=CC=NN1C)CC2
|
|
| MolPort-002-514-020 |
0.60 |
COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-662 |
0.60 |
COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-039-338-440 |
0.60 |
COC1=CC2=C(C=C1OC)[C@@]13CCN(C)[C@@H](C2)C1=CC(=O)C(OC)=C3
|
|
| MolPort-002-514-287 |
0.60 |
COC1=C(OC)C=C(C=C1)C(O)CC1C2=C(OC)C3=C(OCO3)C=C2CC[N+]1(C)C
|
|
| MolPort-002-514-947 |
0.60 |
COC1=CC(=CC(OC)=C1OC)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-003-181-784 |
0.60 |
Cl.COC1=CC2=C(C=C1OC)C(CC=C)NC1(CCCCC1)C2
|
|
| MolPort-000-727-084 |
0.60 |
[Cl-].COC1=C(OC)C=C2C(CC=C)[NH2+]C3(CCCCC3)CC2=C1
|
|
| MolPort-002-513-306 |
0.60 |
COC1=C2C(CC(=O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-312 |
0.60 |
COC1=C2C(CC(=O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-003-850-289 |
0.60 |
COC1=C(O)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(O)C=C4
|
|
| MolPort-045-902-503 |
0.60 |
COC1=CC2=C(CN(CCC(C)C3=CC=CC=C3)CC2)C=C1OC
|
|
| MolPort-037-543-694 |
0.60 |
COC1=CC2=C(CN(CCCC3=CC=CC=C3)CC2)C=C1OC
|
|
| MolPort-046-153-752 |
0.60 |
COC1=C(O)C=C2[C@@H]3CC4=C(CN3CCC2=C1)C(O)=C(OC)C=C4
|
|
| MolPort-020-005-719 |
0.60 |
COC1=CC2=C(C=C1O)[C@@H]1CC3=CC=C(O)C(OC)=C3CN1CC2
|
|
| MolPort-000-720-730 |
0.60 |
[I-].COC1=C2C(CC(O)C3=CC=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-734-784 |
0.60 |
[Cl-].COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)[NH+](C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-373 |
0.60 |
COC1=C2C(CC(C)O)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-514-217 |
0.60 |
COC1=C2C(CC(C)O)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-009-758-012 |
0.60 |
Cl.COC1=C2C(CC(O)C3=CC4=C(C=C3C)C(C)(C)C(C)C4(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-039-336-408 |
0.60 |
COC1=CC2=C(CCN3C(=O)C=C4C=CCCC234)C=C1
|
|
| MolPort-044-804-761 |
0.60 |
COC1=CC2=C(CCN3C(=O)C=C4C=CCC[C@@]234)C=C1
|
|
| MolPort-002-513-949 |
0.60 |
COC1=C2C(CC(O)C3=C4CCC(C)(C)C4=CC(=C3)C(C)(C)C)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-046-122-148 |
0.60 |
COC1=CC2=C(C=C1OC)C(C1CC1)N(CC2)C(=O)[C@H](O)C(C)C
|
|
| MolPort-000-697-827 |
0.60 |
[Cl-].COC1=C(OC)C=C2[C@H]3CC4=C(C[NH+]3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-039-230-141 |
0.60 |
COC1=CC2=C(C=C1OC)C(CC(O)=O)N(CC2)C(=O)C1CCC=CC1
|
|
| MolPort-002-112-025 |
0.60 |
Cl.COC1=CC2=C(C=C1OC)C1(CCCC1)CNC2C
|
|
| MolPort-000-729-408 |
0.60 |
[I-].COC1=C2C(CC(O)C3=CC=C4OCOC4=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-000-741-163 |
0.60 |
[Cl-].COC1=CC2=C(C=C1OC)C1(CCCC1)C[NH2+][C@H]2C
|
|
| MolPort-002-321-247 |
0.60 |
Cl.COC1=C(OC)C=C2C3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-000-743-610 |
0.60 |
[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 |
0.60 |
I.COC1=C(OC)C=C(C=C1)C(O)CC1N(C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-009-757-742 |
0.60 |
Cl.COC1=C(OC)C=C2[C@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-000-827-286 |
0.60 |
[I-].COC1=C(OC)C=C(C=C1)C(O)CC1[NH+](C)CCC2=CC3=C(OCO3)C(OC)=C12
|
|
| MolPort-009-653-440 |
0.60 |
Cl.COC1=C(OC)C=C2[C@@H]3CC4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
|
|
| MolPort-002-514-454 |
0.60 |
COC1=C2C(CC(=O)C3=C(O)C=CC=C3)N(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-314 |
0.60 |
COC1=CC=C(\C=C\C(=O)CC2N(C)CCC3=CC4=C(OCO4)C(OC)=C23)C=C1OC
|
|
| MolPort-002-513-240 |
0.60 |
COC1=C2C(CC(=O)C3=C(O)C=CC=C3)[N+](C)(C)CCC2=CC2=C1OCO2
|
|
| MolPort-002-513-198 |
0.60 |
COC1=CC=C(\C=C\C(=O)CC2C3=C(OC)C4=C(OCO4)C=C3CC[N+]2(C)C)C=C1OC
|
|
| MolPort-016-584-275 |
0.60 |
Cl.COC1=CC2=C(C=C1OC)C1(CCOCC1)CNC2CC(C1=CC=CC=C1)C1=CC=CC=C1
|
|
| MCULE-8781608015 |
0.60 |
C12=C(CCN(C)C1CC(O)C1C=CC=CC=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-6347733673 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC
|
|
| MCULE-9945463658 |
0.60 |
C1(O)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@]3([H])C2=CC=1OC
|
|
| MCULE-9823434055 |
0.60 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@]1([H])CC1=CC=C(OC)C(OC)=C1C2
|
|
| MCULE-6720292628 |
0.60 |
C12C3(CCCC3)C[NH2+][C@@H](C)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-9155587841 |
0.60 |
N12CCC3C(=CC(=C(OC)C=3)OC)C1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-1935763935 |
0.60 |
COC1C(O)=CC2=C(C3N(CC2)CC2C(=CC=C(C=2OC)OC)C3)C=1
|
|
| MCULE-5343199995 |
0.60 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-6042650831 |
0.60 |
C1(C=C2CCN3[C@@]([H])(C2=CC=1OC)[C@@H](C)C1C=CC(OC)=C(OC)C=1C3)OC
|
|
| MCULE-2739186472 |
0.60 |
C1(OC)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@@]3([H])C2=CC=1O
|
|
| MCULE-9590328189 |
0.60 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@H]1CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-3987199342 |
0.60 |
C12C([C@]3([H])CC4=CC=C(OC)C(OC)=C4CN3CC1)=CC(O)=C(OC)C=2
|
|
| MCULE-2001165445 |
0.60 |
C12C3(CCCC3)CNC(C)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-6675093805 |
0.60 |
N12CCC3C=C(OC)C(OC)=CC=3C1C(C)C1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-9943627177 |
0.60 |
C1(O)C=C2CCN3CC4C(OC)=C(OC)C=CC=4C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-8349247867 |
0.60 |
[N+]12(C)CCC3=C(C=C(C(OC)=C3)OC)C1CC1=CC=C(OC)C(OC)=C1C2
|
|
| MCULE-5827277495 |
0.60 |
C1(OC)C=C2CCN3CC4C(OC)=C(O)C=CC=4C[C@@]3([H])C2=CC=1OC
|
|
| MCULE-1328768112 |
0.60 |
N12CCC3C(=CC(=C(OC)C=3)OC)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2
|
|
| MCULE-3230121031 |
0.60 |
C12C=C(OC)C(=CC=1C1(CNC2CC(C2C=CC=CC=2)C2C=CC=CC=2)CCOCC1)OC
|
|
| MCULE-1397624299 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2N(C)N=CC=2)=C1
|
|
| MCULE-3623977626 |
0.60 |
C12=C(CCN(C)C1CC(O)C1C=CC3=C(OCO3)C=1)C=C1C(OCO1)=C2OC
|
|
| MCULE-3935956997 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-8261947680 |
0.60 |
C1(OC)C(OC)=CC2C[C@@H]3N(C)CC[C@]4(C=C(OC)C(=O)C=C43)C=2C=1
|
|
| MCULE-5022763601 |
0.60 |
Cl.C1(C)=C(OC)C(OC)=CC2=C1C(CC1C=CC(O)=CC=1)NCC2
|
|
| MCULE-2672501952 |
0.60 |
C1C=C2C(CNCC2=C(O)C=1OC)CC1C=CC(OC)=C(O)C=1
|
|
| MCULE-4040643278 |
0.60 |
C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
|
|
| MCULE-1012773985 |
0.60 |
[Cl-].C1(OC)C(OC)=CC2C(C3CCCCC3)[NH2+]C(C)(C)CC=2C=1
|
|
| MCULE-7011532507 |
0.60 |
C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
|
|
| MCULE-9415024151 |
0.60 |
CC(=O)NC(C1N(CC)CCC2C1=CC(OC)=C(OC)C=2)C(C)C
|
|
| MCULE-5136907017 |
0.60 |
Cl.C12C(CC=C)NC3(CC1=CC(OC)=C(OC)C=2)CCCCC3
|
|
| MCULE-3257801266 |
0.60 |
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-9182503057 |
0.60 |
C12CN(CCCC3C=CC=CC=3)CCC=1C=C(OC)C(OC)=C2
|
|
| MCULE-4239205032 |
0.60 |
C12CN(CCC=1C=C(OC)C(OC)=C2)CCC(C)C1=CC=CC=C1
|
|
| MCULE-1663051633 |
0.60 |
[C@@]12([H])CC3=C(C(O)=C(OC)C=C3)CN1CCC1C=C(OC)C(O)=CC2=1
|
|
| MCULE-5347617329 |
0.60 |
OC1C(OC)=CC2CCN3CC4C(=C(C=CC=4C[C@@]3([H])C=2C=1)O)OC
|
|
| 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-6361134516 |
0.60 |
C1(OC)C=C2CCN3CC4C(OC)=C(O)C=CC=4C[C@@]3([H])C2=CC=1O
|
|
| MCULE-8730131893 |
0.60 |
C12=C(CCN(C)C1CC(C)O)C=C1C(OCO1)=C2OC
|
|
| MCULE-1105978207 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(O)C1=CC=CC=C1)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-2879546752 |
0.60 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=C(C)C=1)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-2634672186 |
0.60 |
C123CCC=CC1=CC(=O)N2CCC1=CC=C(OC)C=C31
|
|
| MCULE-9033959851 |
0.60 |
Cl.C12C=C(OC)C(=CC=1C1(CNC2CC(C2C=CC=CC=2)C2C=CC=CC=2)CCOCC1)OC
|
|
| MCULE-1774160203 |
0.60 |
COC1=C(OC)C=C2C(CCN(C(C3CC=CCC3)=O)C2CC(O)=O)=C1
|
|
| MCULE-7006385138 |
0.60 |
Cl.C12C=C(OC)C(OC)=CC=1C1CC3C=CC(OC)=C(OC)C=3CN1CC2
|
|
| MCULE-3515784495 |
0.60 |
C12=C(CCN(C)C1CC(=O)C1C=CC=CC=1O)C=C1C(OCO1)=C2OC
|
|
| MCULE-9495472668 |
0.60 |
[I-].[N+]12(C)CCC3=C(C=C(C(OC)=C3)OC)C1CC1=CC=C(OC)C(OC)=C1C2
|
|
| MCULE-7464134414 |
0.60 |
[NH+]12CCC3C(=CC(=C(OC)C=3)OC)[C@@]1([H])CC1C=CC(OC)=C(OC)C=1C2.[Cl-]
|
|
| MCULE-1435751933 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1=CC=C(C(OC)=C1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-5750570919 |
0.60 |
[Cl-].C12C3(CCCC3)C[NH2+][C@@H](C)C=1C=C(OC)C(OC)=C2
|
|
| MCULE-3431736027 |
0.60 |
COC1=C(OC)C=C2C(CCN(C([C@@H](C(C)C)O)=O)C2C2CC2)=C1
|
|
| MCULE-5876741895 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(O)C1C=CC(=C(OC)C=1)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-6081058328 |
0.60 |
C12C3(CCCC3)CNC(C)C=1C=C(OC)C(OC)=C2.Cl
|
|
| MCULE-3770420601 |
0.60 |
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 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC(C(C)(C)C)=CC3C(CCC1=3)(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-1446120151 |
0.60 |
[C@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
|
|
| MCULE-9667743097 |
0.60 |
[C@@H]1(O)C[C@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@@H]1CC(C)C
|
|
| MCULE-6498289847 |
0.60 |
C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@@H](CC(C)C)[C@@H](C1)O)[H])OC
|
|
| MCULE-7105415085 |
0.60 |
C1(C=C2C(=CC=1OC)[C@@]1(N(CC2)C[C@H](CC(C)C)[C@@H](O)C1)[H])OC
|
|
| MCULE-7105035945 |
0.60 |
[C@H]1(O)C[C@@]2([H])N(CCC3C=C(OC)C(OC)=CC2=3)C[C@H]1CC(C)C
|
|
| MCULE-9954073702 |
0.60 |
Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=CC=C1)CC12CCCCC1)OC
|
|
| MCULE-7401691939 |
0.60 |
Cl.C12C=C(OC)C(=CC=1CN(CCCC1=CC=C(C(OC)=C1)OC)CC12CCCCC1)OC
|
|
| MCULE-9975057309 |
0.60 |
Cl.C1C=C2C(CNCC2=C(O)C=1OC)CC1C=CC(OC)=C(O)C=1
|
|
| MCULE-6386950507 |
0.60 |
C12=C(CCN(C)C1CC(C1C=CC=CC=1)=O)C=C1C(OCO1)=C2OC
|
|
| MCULE-2156282825 |
0.60 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)CC(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-5027423337 |
0.60 |
C1([C@H]2CCCN2)C=C(O)C(=C2CCCC=12)OC
|
|
| MCULE-2284601813 |
0.60 |
COC1=CC(CN2CC3=C(C=C(C(=C3)OC)OC)CC2)=C(O)C(CC=C)=C1
|
|
| MCULE-8399121542 |
0.60 |
C1([C@@H]2CCCN2)C=C(O)C(=C2CCCC=12)OC
|
|
| MCULE-2946954919 |
0.60 |
C1([C@@H]2CCCN2)C=C(OC)C(=C2CCCC=12)O
|
|
| MCULE-7839551618 |
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.[I-].[I-]
|
|
| MCULE-7800370438 |
0.60 |
C1([C@H]2CCCN2)C=C(OC)C(=C2CCCC=12)O
|
|
| MCULE-3514048268 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C=CC1=CC=C(C(OC)=C1)OC)C=C1C(OCO1)=C2OC.[I-]
|
|
| MCULE-4851406858 |
0.60 |
C12C(CCN(C)C1CC(=O)C1C=CC3=C(CCCC3)C=1)=CC1=C(OCO1)C=2OC
|
|
| MCULE-1778111412 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C(=CC=CC=1OC)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-4068202259 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-8515575426 |
0.60 |
C12=C(CCN(C)C1CC(=O)C1=CC=CC=C1OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-7465716499 |
0.60 |
C12=C(CC[N+](C)(C)C1CC(=O)C1C=CC(=CC=1O)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-1513524652 |
0.60 |
C12C3CCN(C)C1CC1(CCC(CC1)=NO)C=2C1=C(OCO1)C=3
|
|
| MCULE-5453763516 |
0.60 |
C12=C(CCN(C)C1CC(=O)C1=C(C=CC=C1OC)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-2359448863 |
0.60 |
C12=C(CCN(C)C1CC(=O)C1C=CC(=CC=1O)OC)C=C1C(OCO1)=C2OC
|
|
| MCULE-9993170991 |
0.60 |
COC1C=C2C(C(N(C(C3CC=CC3)=O)CC2)CC(=O)O)=CC=1OC
|
|
| MCULE-4818309974 |
0.60 |
C1(OC)C=C2CCN(C(CC(C)C)C2=CC=1OCC1C=CC=CC=1)C
|
|
| MCULE-8629115386 |
0.60 |
C12=CC(OCC)=C(OCC3=CC=CC=C3)C=C1CCN(C)C2CC(C)C
|
|
| MCULE-3698018759 |
0.60 |
[N+]1(C)(C)CCC2C(=CC(=C(OC)C=2)OCC2=CC=CC=C2)C1CC(C)C
|
|
| MCULE-6708622406 |
0.60 |
C12C(=O)CC(CC=1N1[C@@]([H])(C3C=C(OC)C(=CC=3CC1)OC)[C@@H](C)C2=O)(C)C
|
|
| MCULE-7332159014 |
0.60 |
[I-].C12=C(CC[N+](C)(C)C1CC(=O)C1=CC(C(C)(C)C)=CC3C(CCC1=3)(C)C)C=C1C(OCO1)=C2OC
|
|
| MCULE-5390549135 |
0.60 |
C12C(=O)CC(C)(C)CC=1N1CCC3C=C(OC)C(OC)=CC=3C1CC2=O
|
|
| MCULE-1372189946 |
0.60 |
C12=C(CCN(C)C1CC(O)C1=CC=C(C=C1)F)C=C1C(OCO1)=C2OC
|
|
| MCULE-4575788062 |
0.60 |
C123CC=CC=C1C(CC1=CC=C(OC)C(O)=C21)N(CC3)C
|
|
| MCULE-5523358635 |
0.60 |
COC1=C(OC)C=C2C(CCN(C2C2CC2)CC2=NN(C)N=C2)=C1
|
|
