| MolPort-035-705-636 |
1 |
COC1=C[C@@]23CCN(C)[C@@H](CC4=C2C(O)=C(OC)C=C4)C3=CC1=O
|
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| MCULE-9811830415 |
1 |
C1(OC)C=CC2C[C@@H]3N(CC[C@]4(C=C(OC)C(=O)C=C43)C=2C=1O)C
|
|
| MCULE-6360277783 |
0.98 |
[C@@]123CCN([C@@H](CC4=CC=C(O)C(OC)=C14)C2=CC(=O)C(OC)=C3)C
|
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| MolPort-002-517-348 |
0.98 |
COC1=C[C@@]23CCN(C)[C@@H](CC4=C2C(OC)=C(O)C=C4)C3=CC1=O
|
|
| MCULE-8261947680 |
0.95 |
C1(OC)C(OC)=CC2C[C@@H]3N(C)CC[C@]4(C=C(OC)C(=O)C=C43)C=2C=1
|
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| MolPort-039-338-440 |
0.95 |
COC1=CC2=C(C=C1OC)[C@@]13CCN(C)[C@@H](C2)C1=CC(=O)C(OC)=C3
|
|
| MCULE-1663357430 |
0.92 |
C123CCN(C)C(CC4C=CC(OC)=C(O)C1=4)C2=CCC(OC)=C3
|
|
| MCULE-4191656082 |
0.72 |
C123CCN(C4CC5C=CC(OC)=C(OC1=CC(C=C24)C)C3=5)C
|
|
| MCULE-8292152502 |
0.71 |
C123CCN(C4CC5C=CC(OC)=C(OC1=C(OC)C(C=C24)C(C)(C)O)C3=5)C
|
|
| MCULE-4552811228 |
0.71 |
C123CCN(C4CC5C=CC(OC)=C(OC1=CC(C=C24)C(C)(C)O)C3=5)C
|
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| MCULE-4575788062 |
0.69 |
C123CC=CC=C1C(CC1=CC=C(OC)C(O)=C21)N(CC3)C
|
|
| MCULE-4486455295 |
0.66 |
C123CCNC(CC4C=CC(OC)=C(OC5C=CC=CC=5)C1=4)C2=CC=CC3
|
|
| MCULE-1966626173 |
0.65 |
C12CC=C(CC=1CCNC2CC1C=CC(=C(OC)C=1)O)OC
|
|
| MolPort-027-948-100 |
0.65 |
COC1=CCC2=C(CCNC2CC2=CC=C(O)C(OC)=C2)C1
|
|
| MCULE-2442237814 |
0.64 |
C12CC=C(CC=1CCNC2CC1=CC=C(OC)C(O)=C1)OC
|
|
| MCULE-5338203904 |
0.64 |
C12(C=CC(C=C1)=O)CC1C3C(=CC(OC)=C(OC)C=32)CCN1C
|
|
| MolPort-001-942-727 |
0.64 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)[N+](C)(C)CCC3=C1
|
|
| MolPort-001-942-728 |
0.64 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(C)CCC3=C1
|
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| MolPort-001-943-939 |
0.63 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)NCCC3=C1
|
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| MCULE-3654166896 |
0.63 |
C12(CC3NCCC4=CC(OC)=C(OC)C1=C34)C=CC(=O)C=C2
|
|
| MCULE-7642427371 |
0.63 |
C12(C[C@@]3(C4=C(CCN3)C=C(OC)C(OC)=C14)[H])C=CC(=O)C=C2
|
|
| MCULE-4108905610 |
0.63 |
C123CC(=CC=C1C(CC1C=CC(OC)=C(OC4=CC=CC=C4)C2=1)N(CC3)C)OC
|
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| MolPort-046-765-280 |
0.62 |
COC1=C2O[C@H]3C(=O)CC=C4[C@H]5CC(C=C1)=C2[C@@]34CCN5C
|
|
| MolPort-039-338-759 |
0.62 |
COC1=C(O)C2=C(C=C1)C(O)[C@@H]1NCC[C@]22CC(OC(C)=O)C(OC(C)=O)C(OC)=C12
|
|
| MolPort-000-696-136 |
0.62 |
OS([O-])(=O)=O.COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)[NH2+]CCC3=C1
|
|
| MolPort-009-758-386 |
0.62 |
OS(O)(=O)=O.COC1=C(OC)C2=C3[C@@H](CC22C=CC(=O)C=C2)NCCC3=C1
|
|
| MCULE-8252028507 |
0.62 |
C1(OC)C=CC2C(O)[C@@H]3NCC[C@]4(CC(OC(=O)C)C(OC(C)=O)C(OC)=C43)C=2C=1O
|
|
| MCULE-4538645287 |
0.62 |
C12(CC3C4=C(CC[NH2+]3)C=C(OC)C(OC)=C14)C=CC(=O)C=C2.S(O)(=O)(=O)[O-]
|
|
| MCULE-8022675444 |
0.62 |
C12(C[C@@]3(C4=C(CCN3)C=C(OC)C(OC)=C14)[H])C=CC(=O)C=C2.S(O)(O)(=O)=O
|
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| MolPort-004-955-153 |
0.61 |
COC1=CC2C3CC4=C(C(O)=C(OC)C=C4)C2(CCN3C)CC1=O
|
|
| MolPort-002-507-299 |
0.61 |
COC1=C[C@@H]2[C@@H]3CC4=C(C(O)=C(OC)C=C4)[C@]2(CCN3C)CC1=O
|
|
| MolPort-000-709-205 |
0.61 |
ClC(Cl)Cl.COC1=C[C@@H]2[C@@H]3CC4=C(C([O-])=C(OC)C=C4)[C@]2(CC[NH+]3C)CC1=O
|
|
| MCULE-7479438117 |
0.61 |
COC1C(=O)CC23CCN(C)C(CC4C=CC(OC)=C(O)C=42)C3C=1
|
|
| MCULE-3726900481 |
0.61 |
[C@@]123CC[NH+](C)[C@@H](CC4C=CC(OC)=C([O-])C1=4)[C@@]2([H])C=C(C(=O)C3)OC
|
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| MCULE-2306573779 |
0.61 |
[H][C@@]12C=C(C(=O)C[C@@]31CCN(C)[C@@]2([H])CC1C3=C(C(=CC=1)OC)O)OC
|
|
| MCULE-6596442022 |
0.61 |
C1(OC)C=CC2C[C@@H]3N(C)CC[C@]4(CC(=O)C(OC)=C[C@@]43[H])C=2C=1O
|
|
| MCULE-9314673020 |
0.61 |
O(C)C1C(C[C@@]23C4=C(C(=CC=C4C[C@@H]([C@@H]2C=1)N(C)CC3)OC)O)=O
|
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| MCULE-9847283383 |
0.61 |
Cl.[C@@]123CCN(C)[C@@H](CC4C=CC(OC)=C(O)C1=4)[C@@]2([H])C=C(OC)C(=O)C3
|
|
| MCULE-7091894269 |
0.61 |
Cl.O(C)C1C(C[C@@]23C4=C(C(=CC=C4C[C@@H]([C@@H]2C=1)N(C)CC3)OC)O)=O
|
|
| MCULE-2476862887 |
0.61 |
Cl.C1(OC)C=CC2C[C@@H]3N(C)CC[C@]4(CC(=O)C(OC)=C[C@@]43[H])C=2C=1O
|
|
| MCULE-8022847521 |
0.61 |
C12(C=CC(C=C1)=O)CC1C3=C(C=C(OC)C(OC)=C32)CCN1C(C)=O
|
|
| MolPort-044-561-319 |
0.61 |
Cl.COC1=C[C@@H]2[C@H]3CC4=CC=C(OC)C(O)=C4[C@]2(CCN3C)CC1=O
|
|
| MolPort-019-949-554 |
0.61 |
Cl.COC1=C[C@@H]2C3CC4=C(C(O)=C(OC)C=C4)[C@]2(CCN3C)CC1=O
|
|
| MolPort-023-276-955 |
0.61 |
Cl.COC1=C[C@@H]2C3CC4=CC=C(OC)C(O)=C4[C@@]2(CCN3C)CC1=O
|
|
| MolPort-000-766-275 |
0.61 |
[Cl-].COC1=CC2[C@@H]3CC4=C(C(O)=C(OC)C=C4)C2(CC[NH+]3C)CC1=O
|
|
| MolPort-002-904-677 |
0.61 |
Cl.COC1=C[C@@H]2[C@@H]3CC4=C(C(O)=C(OC)C=C4)[C@]2(CCN3C)CC1=O
|
|
| MolPort-001-918-385 |
0.61 |
COC1=C(OC)C2=C3C(CC22C=CC(=O)C=C2)N(CCC3=C1)C(C)=O
|
|
| MCULE-7692967332 |
0.60 |
C123CCN(C)C4CC5C=CC(OC)=C(OC1C(C(Cl)C=C24)O)C3=5
|
|
| MCULE-4309596577 |
0.60 |
C123CCN(C)C4CC5C=CC(OC)=C(OC1(C)C(C(Cl)C=C24)O)C3=5
|
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