| MolPort-046-114-829 |
0.72 |
CCOC1CC(NC(=O)C2=CC=C(C=C2)C(O)=O)C11CCCO1
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|
| MCULE-3566016509 |
0.72 |
CCOC1C2(OCCC2)C(NC(C2=CC=C(C(O)=O)C=C2)=O)C1
|
|
| MCULE-2763061848 |
0.69 |
CCOC1C2(OCCC2)C(NC(C2=CC=C(OC)C=C2)=O)C1
|
|
| MCULE-6898875861 |
0.69 |
[C@H]1([C@H]2OC[C@@H](OC(NCC)=O)[C@H]2OC1)NC(=O)C1C=CC=CC=1
|
|
| MCULE-2243634182 |
0.69 |
CCOC1C2(OCCC2)C(NC(C2=CC(F)=C(F)C(F)=C2)=O)C1
|
|
| MolPort-002-511-434 |
0.69 |
CC1=CC[C@]23O[C@@]2(C)CC[C@H]2C(CN4CCN(CC4)C(=O)C4=CC=CC=C4)C(=O)O[C@@H]2[C@@H]13
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| MolPort-028-803-269 |
0.69 |
CCOC1CC(NC(=O)C2=CC=C(OC)C=C2)C11CCCO1
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|
| MolPort-001-751-231 |
0.69 |
CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)C1=CC=CC=C1
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| MolPort-042-587-479 |
0.69 |
CCOC1CC(NC(=O)C2=CC(F)=C(F)C(F)=C2)C11CCCO1
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| MolPort-046-697-274 |
0.68 |
COC1C(CO)OC(OC(C)(C)C2CCC3(C)C=C(CCC3O2)C2CCC3C2(C)CC(O)C2OC(CCC32C)C(C)(C)O)C(NC(C)=O)C1O
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| MolPort-001-750-962 |
0.68 |
O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)C1=CC=CC=C1
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|
| MCULE-8357313614 |
0.68 |
C1CC2(C)C(OC1C(O)(C)C)C(CC1(C2CCC1C1=CC2(C)CCC(OC2CC1)C(OC1C(NC(=O)C)C(O)C(OC)C(CO)O1)(C)C)C)O
|
|
| MCULE-6817600100 |
0.68 |
CCOC1C2(OCCC2)C(NC(C2=C(Cl)C=CC=C2Cl)=O)C1
|
|
| MCULE-3717403398 |
0.68 |
NCC1=CC=C(C(N2CC(C3OCCC3)OCC2)=O)C=C1
|
|
| MolPort-039-233-481 |
0.68 |
CCOC1CC(NC(=O)C2=C(Cl)C=CC=C2Cl)C11CCCO1
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|
| MolPort-039-233-709 |
0.68 |
NCC1=CC=C(C=C1)C(=O)N1CCOC(C1)C1CCCO1
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|
| MolPort-001-750-853 |
0.67 |
NC(=O)CO[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)C1=CC=C(C=C1)C(F)(F)F
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|
| MolPort-001-751-946 |
0.67 |
O=C(N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCC1=CC=CC=C1)C1=CC=CC=C1
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CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CNC(=O)C1=CC(C)=C(C)C=C1)OC(C)=O
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|
| MolPort-001-751-240 |
0.67 |
CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)C1=CC=C(C)C=C1
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|
| MCULE-5854779248 |
0.67 |
[C@H]1([C@H]2OC[C@@H](OCC3C=CC=CC=3)[C@H]2OC1)NC(=O)C1C=CC=CC=1
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|
| MCULE-3522462930 |
0.67 |
[C@H](OC(=O)C)([C@@H](OC(=O)C)COC(=O)C)[C@H](OC(=O)C)CNC(=O)C1C=CC(C)=C(C)C=1
|
|
| MCULE-3615420791 |
0.67 |
[C@H]1([C@H]2OC[C@@H](OCC(N)=O)[C@H]2OC1)NC(=O)C1C=CC(C(F)(F)F)=CC=1
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|
| MCULE-3657195284 |
0.67 |
[C@H]1([C@H]2OC[C@@H](OC(NCC)=O)[C@H]2OC1)NC(=O)C1C=CC(C)=CC=1
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|
| MCULE-7914900637 |
0.67 |
FC(C1=C(C(N2CC(C3OCCC3)OCC2)=O)C=CC=C1)(F)F
|
|
| MCULE-8530259352 |
0.67 |
C1CC2(C)C(OC1C(O)(C)C)C(CC1(C2CCC1C1=CC2(C)CCC(OC2CC1)C(OC1C(NC(=O)C)C(O)C(O)C(CO)O1)(C)C)C)O
|
|
| MCULE-1908765522 |
0.67 |
C12(C(C3(C)C(OC(C(O)(C)C)CC3)C(C1)O)CCC2C1=CC2(C)CCC(OC2CC1)C(OC1C(NC(=O)C)C(O)C(O)C(COC)O1)(C)C)C
|
|
| MCULE-4397306819 |
0.67 |
C12(C(CCC1C1(C)C(OC(C(C)(C)OC3C(NC(=O)C)C(O)C(O)C(CO)O3)CC1)C(O)C2)C1CCC2OC(C(OC3C(NC(=O)C)C(O)C(O)C(COC)O3)(C)C)CCC2(C)C=1)C
|
|
| MCULE-4088186077 |
0.67 |
C1CC2(C)C(OC1C(C)(C)OC1C(NC(=O)C)C(O)C(O)C(COC)O1)C(O)CC1(C(CCC21)C1CCC2OC(C(C)(OC3C(NC(=O)C)C(O)C(O)C(COC)O3)C)CCC2(C)C=1)C
|
|
| MCULE-7520874279 |
0.67 |
C1C(C(C)(C)OC2C(NC(=O)C)C(O)C(O)C(CO)O2)OC2C(C)(C1)C1CCC(C1(C)CC2O)C1=CC2(C)CCC(C(OC3C(NC(=O)C)C(O)C(O)C(CO)O3)(C)C)OC2CC1
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|
| MolPort-027-662-953 |
0.67 |
FC(F)(F)C1=CC=CC=C1C(=O)N1CCOC(C1)C1CCCO1
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|
| MolPort-046-697-246 |
0.67 |
COCC1OC(OC(C)(C)C2CCC3(C)C=C(CCC3O2)C2CCC3C2(C)CC(O)C2OC(CCC32C)C(C)(C)OC2OC(COC)C(O)C(O)C2NC(C)=O)C(NC(C)=O)C(O)C1O
|
|
| MolPort-046-697-245 |
0.67 |
CC(=O)NC1C(O)C(O)C(CO)OC1OC(C)(C)C1CCC2(C)C=C(CCC2O1)C1CCC2C1(C)CC(O)C1OC(CCC21C)C(C)(C)OC1OC(CO)C(O)C(O)C1NC(C)=O
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|
| MolPort-001-739-677 |
0.67 |
COCC1OC(OC(C)(C)C2CCC3(C)C=C(CCC3O2)C2CCC3C2(C)CC(O)C2OC(CCC32C)C(C)(C)OC2OC(CO)C(O)C(O)C2NC(C)=O)C(NC(C)=O)C(O)C1O
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|
| MolPort-023-274-263 |
0.67 |
COCC1OC(OC(C)(C)C2CCC3(C)C=C(CCC3O2)C2CCC3C2(C)CC(O)C2OC(CCC32C)C(C)(C)O)C(NC(C)=O)C(O)C1O
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|
| MolPort-001-751-958 |
0.66 |
CC1=CC=C(C=C1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCC1=CC=CC=C1
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| MolPort-046-081-777 |
0.66 |
FC(F)(F)C1=CC=C(C=C1)C(=O)N1CCOC(C1)C1CCCO1
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|
| MolPort-006-668-894 |
0.66 |
CN(CC1=CC=CC=C1)[C@H]1[C@@H](CNC(=O)C2=CC=CC=C2)O[C@@H](CO)[C@H]1O
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|
| MolPort-002-513-363 |
0.66 |
C[C@H](NCC1[C@@H]2[C@@H](CC3=CCCC(C)[C@@]3(C)C2O)OC1=O)C1=CC=CC=C1
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|
| MolPort-035-785-102 |
0.66 |
OC[C@H]1OC(O)[C@H](NC(=O)C2=CC=CC=C2)[C@@H](O)[C@@H]1O
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|
| MolPort-004-250-827 |
0.66 |
CC(=O)OCC1OC(OC(C)=O)C(NC(=O)C2=CC=CC=C2)C(OC(C)=O)C1OC(C)=O
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|
| MolPort-044-608-950 |
0.66 |
OC1(CCNC(=O)C2=CC=C(C=C2)C(=O)N2CCOCC2)CCCOC1
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|
| MCULE-7918400157 |
0.66 |
[C@H]1([C@H]2OC[C@@H](OCC3C=CC=CC=3)[C@H]2OC1)NC(=O)C1C=CC(C)=CC=1
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|
| MCULE-2785525180 |
0.66 |
FC(C1=CC=C(C(N2CC(C3OCCC3)OCC2)=O)C=C1)(F)F
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|
| MCULE-3587725904 |
0.66 |
CC(OCC1C(OC(C)=O)C(OC(C)=O)C(NC(C2=CC=CC=C2)=O)C(OC(C)=O)O1)=O
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|
| MCULE-9045697275 |
0.66 |
OC1(COCCC1)CCNC(C1=CC=C(C(N2CCOCC2)=O)C=C1)=O
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|
| MCULE-5625473273 |
0.66 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)N1[C@H](CCC1)COC)CNC(=O)C1C=CC=CC=1
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|
| MCULE-8071495291 |
0.66 |
CC1(OC2(COCCC2)CN(C(C2=CC=C(C(N)=O)C=C2)=O)C1)C
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|
| MCULE-2533395909 |
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CC(OCC1C(OC(C)=O)C(OC(C)=O)C(NC(C2=CC3=C(C=CC=C3)C=C2)=O)C(OC(C)=O)O1)=O
|
|
| MCULE-8587172763 |
0.66 |
CC1C2(OCCN(C(C3=C4C(C=CC=C4)=CC=C3O)=O)C2)CCO1
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|
| MCULE-2434195606 |
0.66 |
N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)C(=O)C1C=CC=CC=1C
|
|
| MCULE-1391467601 |
0.66 |
OC1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1N1C(=O)C2C(=CC=CC=2)C1=O
|
|
| MCULE-7151388477 |
0.66 |
C1(NC(C)=O)C(OC2CCC3(C(C=CC4C3CCC3(C4CCC3C(C)CCCC(C)C)C)C2)C)OC(C(OC(C)=O)C1OC(C)=O)COC(C)=O
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|
| MolPort-005-949-795 |
0.66 |
COC[C@H]1CCCN1C(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=CC=C2)[C@@H](O)[C@H]1O
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|
| MolPort-044-457-376 |
0.66 |
CC1(C)CN(CC2(CCCOC2)O1)C(=O)C1=CC=C(C=C1)C(N)=O
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|
| MolPort-009-605-062 |
0.66 |
CC(=O)OCC1OC(OC(C)=O)C(NC(=O)C2=CC3=CC=CC=C3C=C2)C(OC(C)=O)C1OC(C)=O
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|
| MolPort-042-562-226 |
0.66 |
CO[C@]12CCN([C@H]1C[C@H](CC2)OCCO)C(=O)C1=C(C)C=CC=C1
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|
| MolPort-007-550-086 |
0.66 |
CC(C)CCCC(C)C1CCC2C3C=CC4CC(CCC4(C)C3CCC12C)OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O
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| MolPort-005-949-610 |
0.65 |
CC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=CC=C2)[C@@H](O)[C@H]1O
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| MolPort-005-952-444 |
0.65 |
OC[C@@H]1O[C@H](CNC(=O)C2=CC=CC=C2)[C@@H]([C@@H]1O)N1CCCCC1
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|
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0.65 |
OC[C@@H]1O[C@H](CNC(=O)C2=CC=CC=C2)[C@@H]([C@@H]1O)N1CCCC1
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|
| MolPort-005-952-544 |
0.65 |
CC1CCN(CC1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1=CC=CC=C1
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|
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0.65 |
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCC3=C(C)C=CC=C3)[C@@H](O)[C@H]2O1
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|
| MolPort-001-750-852 |
0.65 |
COC1=CC=C(C=C1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCC(N)=O
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0.65 |
CC1CCC=C2C[C@H]3OC(=O)C(CNC4CCN(CC5=CC=CC=C5)CC4)[C@H]3C(O)[C@]12C
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|
| MCULE-8396965289 |
0.65 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NC(C)C)CNC(=O)C1C=CC=CC=1
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|
| MCULE-4875615003 |
0.65 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NCCOC)[C@@H]1O)CC1=CC=CC=C1C
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|
| MCULE-6843616500 |
0.65 |
CC1C2(OC(C)CN(C(C3=C4C(C=CC=C4)=CC=C3O)=O)C2)CCO1
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|
| MCULE-4522440842 |
0.65 |
[C@H]1([C@H]2OC[C@@H](OCC(N)=O)[C@H]2OC1)NC(=O)C1=CC=C(OC)C=C1
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|
| MCULE-1433735060 |
0.65 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NC1CC1)CNC(=O)C1C=CC=CC=1
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|
| MCULE-9090632319 |
0.65 |
[C@H]1([C@H]2OC[C@@H](OC(NC3CCCCC3)=O)[C@H]2OC1)NC(=O)C1C=CC(C(F)(F)F)=CC=1
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|
| MCULE-9664286765 |
0.65 |
C1(C)(C(O)C(O)CC2(C1CC/C/2=C1/CCC2OC(CCC2(C)C/1)C(OC1C(NC(=O)C)C(O)C(O)C(CO)O1)(C)C)C)CCC(OC(C)=O)C(OC)(C)C
|
|
| MCULE-3552819464 |
0.65 |
C1(C)(C(O)CCC2(C1CC/C/2=C1/CCC2OC(CCC2(C)C/1)C(OC1C(NC(=O)C)C(O)C(O)C(CO)O1)(C)C)C)CCC(OC(C)=O)C(OC)(C)C
|
|
| MCULE-8624704216 |
0.65 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)N2CCOCC2)[C@@H]1O)CC1=CC=CC=C1C
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|
| MCULE-8183091291 |
0.65 |
COCCOC1CN(C(C2=C(O)C3=C(C=CC(=C3)O)C=C2)=O)CC(CO)C1
|
|
| MCULE-2224219629 |
0.65 |
COC(C1OC2CCC(N(C(C3=CC=C(C=C)C=C3)=O)C2C1)C)=O
|
|
| MCULE-7801467862 |
0.65 |
[C@H]1([C@H]2OC[C@@H](OCC3C=CC=CC=3)[C@H]2OC1)NC(=O)C1C=CC(C(F)(F)F)=CC=1
|
|
| MCULE-6050485979 |
0.65 |
N1(CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12)C(C1=CC=CC=C1)=O
|
|
| MCULE-7498599179 |
0.65 |
OC1C(C2N(C(C3=CC4=C(C=CC=C4)C=C3)=O)CCOC2)CCC1
|
|
| MCULE-3265735601 |
0.65 |
C1=C(C(=O)NC[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O2)CC(=O)N2[C@H](CCC2)COC)C=CC(=C1)C
|
|
| MCULE-4929912819 |
0.65 |
[C@@H]1([C@H](O)[C@H](O)[C@@H](CNC(C2C=CC=CC=2)=O)O1)CC(N(CC=C)C)=O
|
|
| MCULE-1093496106 |
0.65 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)N1CCCC1)CNC(=O)C1C=CC=CC=1
|
|
| MCULE-7423504985 |
0.65 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)N(C)CC1C=CC=CC=1)CNC(=O)C1C=CC=CC=1
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|
| MCULE-4182883797 |
0.65 |
ClC1=CC(C(N2CC(C3OCCC3)OCC2)=O)=CC=C1
|
|
| MolPort-005-949-883 |
0.65 |
O[C@@H]1[C@@H](CNC(=O)C2=CC=CC=C2)O[C@@H](CC(=O)NC2CC2)[C@@H]1O
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| MolPort-001-750-965 |
0.65 |
FC(F)(F)C1=CC=C(C=C1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)NC1CCCCC1
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| MolPort-046-697-278 |
0.65 |
COC(C)(C)C(CCC1(C)C2CC\C(=C3\CCC4OC(CCC4(C)C3)C(C)(C)OC3OC(CO)C(O)C(O)C3NC(C)=O)C2(C)CC(O)C1O)OC(C)=O
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|
| MolPort-046-697-279 |
0.65 |
COC(C)(C)C(CCC1(C)C2CC\C(=C3\CCC4OC(CCC4(C)C3)C(C)(C)OC3OC(CO)C(O)C(O)C3NC(C)=O)C2(C)CCC1O)OC(C)=O
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| MolPort-038-385-485 |
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CC1=C(CNC[C@H]2O[C@@H]3C[C@@H](CC(=O)N4CCOCC4)O[C@@H]3[C@@H]2O)C=CC=C1
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| MolPort-002-517-870 |
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C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN(CCO)CC4=CC=CC=C4)[C@H]3C=C12
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| MolPort-038-387-515 |
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O=C(NCC12CCC(O1)C1C2C(=O)OC1=O)C1=CC=CC=C1
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| MolPort-039-229-064 |
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COC(=O)C1CC2C(CCC(C)N2C(=O)C2=CC=C(C=C)C=C2)O1
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|
| MolPort-001-751-949 |
0.65 |
FC(F)(F)C1=CC=C(C=C1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCC1=CC=CC=C1
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0.65 |
COC[C@H]1CCCN1C(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=C(C)C=C2)[C@@H](O)[C@H]1O
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| MolPort-039-171-875 |
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OC1CCCC1C1COCCN1C(=O)C1=CC2=CC=CC=C2C=C1
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| MolPort-042-572-742 |
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CO[C@]12CCN([C@H]1C[C@@H](CC2)OCC1CC1)C(=O)C1=CC=CC=C1
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|
| MolPort-001-747-760 |
0.65 |
CN(CC=C)C(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=CC=C2)[C@@H](O)[C@H]1O
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| MolPort-001-747-851 |
0.65 |
O[C@H]1[C@@H](O)[C@H](CC(=O)N2CCCC2)O[C@@H]1CNC(=O)C1=CC=CC=C1
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| MolPort-027-662-952 |
0.65 |
ClC1=CC=CC(=C1)C(=O)N1CCOC(C1)C1CCCO1
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|
| MolPort-001-747-895 |
0.65 |
CN(CC1=CC=CC=C1)C(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=CC=C2)[C@@H](O)[C@H]1O
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|
| MolPort-002-524-418 |
0.64 |
CC(C)CCCC(C)[C@H]1CCC2[C@@H]3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
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|
| MolPort-000-765-571 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
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| MolPort-003-715-945 |
0.64 |
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC1OC(CO)C(O)C(O)C1NC(C)=O
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| MolPort-046-437-385 |
0.64 |
FC1=CC(=CC2=CC=CC=C12)C(=O)N1CCOC2(CCCOC2)C1
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| MolPort-001-751-233 |
0.64 |
CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)C1=CC=C(C=C1)N(C)C
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| MolPort-042-574-682 |
0.64 |
CO[C@]12CCN([C@H]1C[C@H](CC2)OCCO)C(=O)C1=CC=C(C=C1)C(C)(C)C
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| MolPort-002-519-855 |
0.64 |
CC1CCC=C2C[C@H]3OC(=O)C(CN4CCN(CC5=CC=CC=C5)CC4)[C@H]3C(O)[C@]12C
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| MolPort-038-387-514 |
0.64 |
O=C(NC[C@@]12O[C@@H](C=C1)[C@H]1[C@@H]2C(=O)OC1=O)C1=CC=CC=C1
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| MolPort-028-777-510 |
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COC1CCC2OCCN(C2C1)C(=O)C1=C(C)C=CC=C1C
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| MolPort-042-577-282 |
0.64 |
CO[C@]12CCN([C@H]1C[C@@H](CC2)OCC1CC1)C(=O)C1=CC2=CC=CC=C2C=C1
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| MolPort-044-636-397 |
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CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCC3=C(C)C=CC=C3)[C@@H](O)[C@H]2O1
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| MolPort-044-636-377 |
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CC1=C(CNC[C@H]2O[C@@H]3C[C@@H](CC(=O)NC4CC4)O[C@@H]3[C@@H]2O)C=CC=C1
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| MolPort-005-949-626 |
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CC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=C(C)C=C2)[C@@H](O)[C@H]1O
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| MCULE-7236355666 |
0.64 |
[C@@H]1(NC(C)=O)[C@@H](O)[C@H](O)[C@H](O[C@H]1OC1CC[C@]2(C(=CCC3C2CC[C@]2(C3CCC2C(C)CCCC(C)C)C)C1)C)CO
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| MCULE-7752914972 |
0.64 |
C1(NC(C)=O)C(O)C(O)C(OC1OC1CCC2(C(=CCC3C2CCC2(C3CCC2C(C)CCCC(C)C)C)C1)C)CO
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| MCULE-3505685819 |
0.64 |
[C@H]1([C@H]2OC[C@@H](OC(NCC)=O)[C@H]2OC1)NC(=O)C1C=CC(=CC=1)N(C)C
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| MCULE-5746626655 |
0.64 |
FC1=C2C(C=CC=C2)=CC(C(N2CC3(COCCC3)OCC2)=O)=C1
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|
| MCULE-7470066206 |
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N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)C(=O)C1C=CC(=CC=1)C(C)(C)C
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| MCULE-8659439094 |
0.64 |
COC1CC2C(OCCN2C(C2=C(C)C=CC=C2C)=O)CC1
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|
| MCULE-5383904735 |
0.64 |
N1(CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12)C(=O)C1=CC=C2C(C=CC=C2)=C1
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|
| MCULE-7293665360 |
0.64 |
CN(C(C1=CC=C(C(N[C@@]23CCO[C@@H]2CCC3)=O)C=C1)=O)C
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|
| MCULE-7878090120 |
0.64 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC2CC2)[C@@H]1O)CC1=CC=CC=C1C
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| MCULE-3045858651 |
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N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NCCC)[C@@H]1O)CC1=CC=CC=C1C
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|
| MCULE-6977299370 |
0.64 |
C1=C(C=CC(=C1)C)C(NC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)CC(=O)NC(C)C)=O
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| MCULE-5115636821 |
0.64 |
N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)C(=O)C1=CC=CC(CN(C)C)=C1
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| MCULE-4670784805 |
0.64 |
N([C@@H]1CO[C@@H]([C@H]1O)CNC(C1=CC=CC=C1)=O)C1CCCCC1
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|
| MCULE-4356480221 |
0.64 |
[C@H]1([C@H]2OC[C@@H](OC(NCC)=O)[C@H]2OC1)NC(=O)C1=CC=C(OC)C=C1
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| MCULE-5555130527 |
0.64 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC(C)C)[C@@H]1O)CC1=CC=CC=C1C
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| MCULE-2781991282 |
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CCOC1C2(OCCC2)C(NC(C2=C(F)C(O)=C(F)C=C2)=O)C1
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|
| MCULE-1961413665 |
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CN(CC1=CC=C(C(N2C(C3C(O)CCC3)COCC2)=O)C=C1)C
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|
| MCULE-9378907658 |
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C1=C(C=CC(=C1)C)C(NC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)CC(=O)N1CCOCC1)=O
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|
| MCULE-8080768439 |
0.64 |
CC1(OC2(COCC2)CN(C(C2=C3C(C=CC=C3)=CC=C2)=O)C1)C
|
|
| MCULE-7215948314 |
0.64 |
OCC1CCN(CC2=CC=C(C(NC3C4OC(CC4)C3)=O)C=C2)CC1
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|
| MCULE-5003243634 |
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C1=C(C=CC(=C1)C)C(NC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)CC(=O)NC1CC1)=O
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|
| MCULE-1845897778 |
0.64 |
C(=O)(C1C=CC(=CC=1)CN1CCCCC1)NC1COC2(CCCC2)C1
|
|
| MCULE-5866906430 |
0.64 |
N1(CC[C@]2(OC)CC[C@@H](OCC(O)=O)C[C@H]12)C(=O)C1C=CC=C(F)C=1
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|
| MCULE-9432858263 |
0.64 |
N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)C(=O)C1C=CC=CC=1CC
|
|
| MCULE-8837233106 |
0.64 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)N1[C@H](CCC1)COC)CNC(=O)C1C=C(F)C=CC=1
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| MCULE-2088422888 |
0.64 |
OC1=C(C(N2CC3(COCC3)OCC2)=O)C2=C(C=CC=C2)C=C1
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|
| MolPort-042-558-251 |
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CO[C@]12CCN([C@H]1C[C@H](CC2)OCCO)C(=O)C1=CC(CN(C)C)=CC=C1
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CO[C@@H]1OC(COC(C)=O)[C@H](OC(C)=O)C(OC(C)=O)C1N1C(=O)C2=C(C=CC=C2)C1=O
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| MolPort-027-851-659 |
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O[C@@H]1[C@@H](CNC(=O)C2=CC=CC=C2)OC[C@H]1NC1CCCCC1
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0.64 |
COC[C@H]1CCCN1[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1=CC=CC(F)=C1
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| MolPort-001-751-232 |
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CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)C1=CC=C(OC)C=C1
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0.64 |
CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNCC3=C(C)C=CC=C3)[C@@H](O)[C@H]2O1
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|
| MolPort-028-904-721 |
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OCC1CCN(CC2=CC=C(C=C2)C(=O)NC2CC3CCC2O3)CC1
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|
| MolPort-005-949-897 |
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CC1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CC(=O)NC2CC2)[C@H](O)[C@@H]1O
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|
| MolPort-046-427-695 |
0.64 |
CN(C)CC1=CC=C(C=C1)C(=O)N1CCOCC1C1CCCC1O
|
|
| MolPort-005-949-868 |
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CC1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CC(=O)N2CCOCC2)[C@H](O)[C@@H]1O
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|
| MolPort-028-597-808 |
0.64 |
O=C(NC1COC2(CCCC2)C1)C1=CC=C(CN2CCCCC2)C=C1
|
|
| MolPort-038-977-661 |
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CC1(C)CN(CC2(CCOC2)O1)C(=O)C1=CC=CC2=CC=CC=C12
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|
| MolPort-039-217-352 |
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CCC1=C(C=CC=C1)C(=O)N1CC[C@@]2(CC[C@@H](C[C@H]12)OCCO)OC
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|
| MolPort-039-216-690 |
0.64 |
CO[C@]12CCN([C@H]1C[C@@H](CC2)OCC(O)=O)C(=O)C1=CC(F)=CC=C1
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|
| MolPort-005-949-796 |
0.64 |
COC[C@H]1CCCN1C(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=CC(F)=C2)[C@@H](O)[C@H]1O
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|
| MolPort-006-668-891 |
0.63 |
CN(CC1=CC=CC=C1)[C@H]1[C@@H](CNC(C)=O)O[C@@H](CO)[C@H]1O
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|
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0.63 |
CCOCC(=O)N[C@]1(C)CCOC2(CCN(CC3=CC=CC=C3)CC2)[C@H]1O
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|
| MolPort-038-385-512 |
0.63 |
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCC3=C(C=CC=C3)C(F)(F)F)[C@@H](O)[C@H]2O1
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|
| MolPort-006-668-895 |
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CN(CC1=CC=CC=C1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1=CC=CC(F)=C1
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|
| MolPort-027-906-286 |
0.63 |
ClC1=CC=CC=C1C(=O)N1CCOC(C1)C1CCCO1
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|
| MolPort-002-511-265 |
0.63 |
CC1=CC[C@]23O[C@@]2(C)CC[C@H]2C(CN4CCOCC4)C(=O)O[C@@H]2[C@@H]13
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0.63 |
CC(=O)OCC1OC(OC(C)=O)C(NC(=O)C2=CC=C(F)C=C2)C(OC(C)=O)C1OC(C)=O
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| MolPort-001-750-963 |
0.63 |
COC1=CC=C(C=C1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)NC1CCCCC1
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|
| MolPort-039-468-525 |
0.63 |
COC1CCC2OCCN(C2C1)C(=O)C1=CC=CC=C1CN1CCOCC1
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|
| MolPort-001-747-910 |
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CN(CC1=CC=CC=C1)C(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=C(C)C=C2)[C@@H](O)[C@H]1O
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CC1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CC(=O)N2CCCC2)[C@H](O)[C@@H]1O
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| MolPort-005-952-294 |
0.63 |
COC[C@H]1CCCN1[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1=CC=C(C=C1)C(F)(F)F
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0.63 |
CC1CCN(CC1)C(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=C(C)C=C2)[C@@H](O)[C@H]1O
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CO[C@@H](C[C@H]1C(C)=CC[C@H]2[C@@]1(C)CCC1C(C)(C)[C@H](O)[C@H](C[C@@]21C)O[C@@H]1O[C@@H](C)[C@H](OC(=O)C2=CC=CC(O)=C2)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O)[C@H](N)C(O)=O
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| MolPort-005-952-163 |
0.63 |
CN(C)CCN(C)[C@H]1[C@@H](CNC(=O)C2=CC=CC=C2)O[C@@H](CO)[C@H]1O
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|
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0.63 |
CN(CC1=CC=CC=C1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1=CC=C(C=C1)C(F)(F)F
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| MolPort-039-223-042 |
0.63 |
CO[C@]12CCN([C@H]1C[C@H](CC2)OCC1CC1)C(=O)C1=CC=C(CN)C=C1
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|
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0.63 |
OCC1CCN(CC2=CC=C(C=C2)C(=O)N2CCC[C@H]3COC[C@@H]23)CC1
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0.63 |
CC(=O)NC1C(OCCCN2C(=O)C3=CC=CC=C3C2=O)OC(COC(C)=O)C(OC(C)=O)C1OC(C)=O
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0.63 |
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCC3=C(OC)C=CC=C3)[C@@H](O)[C@H]2O1
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O[C@@H]1[C@@H](CNCC2=C(C=CC=C2)C(F)(F)F)O[C@@H]2C[C@@H](CC(=O)N3CCOCC3)O[C@H]12
|
|
| MCULE-1302139805 |
0.63 |
N1(CCCOC2OC(COC(C)=O)C(C(OC(C)=O)C2NC(C)=O)OC(C)=O)C(=O)C2=C(C=CC=C2)C1=O
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|
| MCULE-5760576320 |
0.63 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NCCOC)[C@@H]1O)CC1=CC=CC=C1OC
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| MCULE-8917516291 |
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OC1=CC2C(O)=C(C(N3CC4(COCC4)OCC3)=O)C=CC=2C=C1
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| MCULE-1809569111 |
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N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)N2CCOCC2)[C@@H]1O)CC1=CC=CC=C1C(F)(F)F
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|
| MCULE-2945972092 |
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C(F)(F)(F)C1=CC=C(C=C1)C(=O)NC1COC2(CCCC2)C1
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|
| MCULE-7985922711 |
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C(=O)(C1C=CC(=CC=1)C(O)=O)NC1COC2(CCCCC2)C1
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| MCULE-4181049638 |
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O=C(C1=C2C(C=CS2)=CC=C1)N1CC2(COCCC2)OCC1
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|
| MCULE-9601984362 |
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[C@H]1([C@H]2OC[C@@H](OCC3C=CC=CC=3)[C@H]2OC1)NC(=O)C1C=CC(=CC=1)N(C)C
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|
| MCULE-3776111100 |
0.63 |
N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)C(=O)C1C=CC(=CC=1)N(C)C
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| MCULE-8341225668 |
0.63 |
C(C1C=CC=CC=1)(=O)NCC1CCC2(CCN(CC2)C)O1
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|
| MCULE-2419274094 |
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C(=O)(NCC1(COCC1)OCCO)C1C=C(C)C=C(C)C=1
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|
| MCULE-8228078761 |
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N([C@@H]1CO[C@@H]([C@H]1O)CNC(C1=CC=CC=C1)=O)C1CCOCC1
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|
| MCULE-5527829625 |
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[N+]1(CCCCC1)(CC1=CC=CC=C1)CC1OCC2CC1C(C)=CC2
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|
| MCULE-4804709267 |
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C(C1=CC=CC=C1)(=O)NCC1CCC2(CCN(CC2)CC2=CC=CC=C2O)O1
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|
| MCULE-2116660780 |
0.63 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)N2CCOCC2)[C@@H]1O)CC1=CC=CC=C1OC
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|
| MCULE-3882520592 |
0.63 |
NCC1=CC=C(C(NC2C3OC(CC3)C2)=O)C=C1
|
|
| MCULE-2896887042 |
0.63 |
O=C(C1=CC=C(C2=CC=CC=C2)C=C1)N1C2C(COC2)C2(CCC2)C1
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|
| MCULE-2093807874 |
0.63 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NC(C)C)CNC(=O)C1C=C(F)C=CC=1
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|
| MCULE-4307935769 |
0.63 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NCCOC)CNC(=O)C1C=C(F)C=CC=1
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|
| MCULE-9043603406 |
0.63 |
CCOC1C2(OCCC2)C(NC([C@H](N2C(=O)C3C=CC=CC=3C2)C)=O)C1
|
|
| MCULE-4813216851 |
0.63 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NCCOC)[C@@H]1O)CC1=CC=CC=C1C(F)(F)F
|
|
| MCULE-6688692750 |
0.63 |
[C@@]1(C)(CCOC2(CCN(CC2)CC2=CC=CC=C2)[C@H]1O)NC(COCC)=O
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|
| MCULE-1029420860 |
0.63 |
ClC1=C(C(N2CC(C3OCCC3)OCC2)=O)C=CC=C1
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|
| MCULE-7736014397 |
0.63 |
CC(OCC1C(OC(C)=O)C(OC(C)=O)C(NC(C2=CC=C(F)C=C2)=O)C(OC(C)=O)O1)=O
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|
| MCULE-9220706536 |
0.63 |
[C@H]1([C@H]2OC[C@@H](OC(NC3CCCCC3)=O)[C@H]2OC1)NC(=O)C1=CC=C(OC)C=C1
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| MCULE-6466997397 |
0.63 |
COC1CC2C(OCCN2C(C2=C(CN3CCOCC3)C=CC=C2)=O)CC1
|
|
| MCULE-3261588462 |
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C1C=C(C=CC=1C(NC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)CC(=O)N1CCCC1)=O)C
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|
| MCULE-3635993791 |
0.63 |
C1=C(C(NC[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O2)CC(=O)N2CCC(C)CC2)=O)C=CC(=C1)C
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|
| MCULE-3724202717 |
0.63 |
C1=C(C(NC[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O2)CC(=O)N(C)CC2C=CC=CC=2)=O)C=CC(=C1)C
|
|
| MCULE-7604990394 |
0.63 |
OCC1CCN(CC2=CC=C(C(N3[C@H]4[C@H](COC4)CCC3)=O)C=C2)CC1
|
|
| MCULE-7422875470 |
0.63 |
N1(CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12)C(=O)C1=CC=C(C=C1)CN
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| MolPort-039-110-348 |
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OC(=O)C1=CC=C(C=C1)C(=O)NC1COC2(C1)CCCCC2
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|
| MolPort-038-415-495 |
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FC(F)(F)C1=CC=C(C=C1)C(=O)NC1COC2(CCCC2)C1
|
|
| MolPort-005-952-545 |
0.63 |
CC1CCN(CC1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1=CC=CC(F)=C1
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0.63 |
CN(CCC1=CC=CC=C1)[C@H]1[C@@H](CNC(=O)C2=CC=CC=C2)O[C@@H](CO)[C@H]1O
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| MolPort-005-952-445 |
0.63 |
OC[C@@H]1O[C@H](CNC(=O)C2=CC=CC(F)=C2)[C@@H]([C@@H]1O)N1CCCCC1
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0.63 |
CN(C)C1=CC=C(C=C1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCC1=CC=CC=C1
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| MolPort-044-452-629 |
0.63 |
O=C(N1CCOC2(CCCOC2)C1)C1=C2SC=CC2=CC=C1
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| MolPort-042-568-806 |
0.63 |
CO[C@]12CCN([C@H]1C[C@H](CC2)OCCO)C(=O)C1=CC=C(C=C1)N(C)C
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| MolPort-005-036-073 |
0.63 |
CN1CCC2(CCC(CNC(=O)C3=CC=CC=C3)O2)CC1
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0.63 |
CC1=CC(=CC(C)=C1)C(=O)NCC1(CCOC1)OCCO
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| MolPort-004-993-521 |
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OC1=C(CN2CCC3(CCC(CNC(=O)C4=CC=CC=C4)O3)CC2)C=CC=C1
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| MolPort-023-275-074 |
0.63 |
O[C@@H]1[C@@H](CNC(=O)C2=CC=CC=C2)OC[C@H]1NC1CCOCC1
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0.63 |
COC1=C(CNC[C@H]2O[C@@H]3C[C@@H](CC(=O)N4CCOCC4)O[C@@H]3[C@@H]2O)C=CC=C1
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COCCNC(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=CC(F)=C2)[C@@H](O)[C@H]1O
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CC1CN(CC2[C@@H]3[C@@H](CC4=CCCC(C)[C@@]4(C)C3O)OC2=O)CC(C)O1
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CC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=CC(F)=C2)[C@@H](O)[C@H]1O
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O=C(N1CC2(CCC2)C2COCC12)C1=CC=C(C=C1)C1=CC=CC=C1
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COCCOCC(=O)N1CCC2(CC1)CC(CCO2)N(C1CC1)C(=O)C1=CC=CC=C1
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CC(=O)O[C@H]1C[C@@](C)(O)C2CC=C(C)C2[C@H]2OC(=O)[C@]3(C[C@@]45C=C[C@]3(C)C4[C@H]3OC(=O)[C@@H](CN4CCOCC4)C3CC[C@@]5(C)O)C12
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CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NCC1=CC=CC=C1
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OCCO[C@@H]1COCC[C@H]1NC(=O)C1=CC=C(CN2CCCCCC2)C=C1
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O=C(NC1=CC=CC=C1)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)C1=CC=CC=C1
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OC[C@@H]1O[C@H](CNC(=O)C2=CC=CC(F)=C2)[C@@H]([C@@H]1O)N1CCOCC1
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CCCCOC(=O)[C@H]1[C@@H]2OC3(CN(CC4=CC=CC=C4)C(=O)[C@@H]13)C=C2
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CO[C@]12CCN([C@H]1C[C@H](CC2)OCCO)C(=O)C1=CC(F)=C(F)C=C1
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CCCCOC(=O)C1C2OC3(CN(CC4=CC=CC=C4)C(=O)C13)C=C2
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CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CC4=CC=CC=C4)C(=O)[C@H]13)C=C2
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O[C@@H]1[C@@H](CNC(=O)C2=CC=CC=C2)OC[C@H]1NC1CCCC1
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COCCOC1CCOC2(CCN(CC2)C(=O)C2=CC=CC=C2)C1
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CCCCC1(O)COC2(CN(C2)C(=O)C2=C(C)C=C(C)C=C2)C1
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[Cl-].CC1=CCC2COC(C[N+]3(CC4=CC=CC=C4)CCCCC3)C1C2
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[Cl-].CC1=CC[C@H]2COC(C[N+]3(CC4=CC=CC=C4)CCCCC3)[C@@H]1C2
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COC[C@H]1CCCN1C[C@@H]1OC[C@H](NC(=O)C2=CC=CC=C2)[C@H]1O
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CN(C)CC1=CC=CC(=C1)C(=O)N1CCOCC1C1CCCC1O
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CC1OCCC11CN(CC(C)O1)C(=O)C1=CC=CC=C1Br
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CCOCC(=O)N1CCC2(CC1)CC(CNC(=O)C1=CC=CC=C1)CCO2
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CN(C)[C@@H]1CO[C@H](CNC(=O)C2=CC=CC=C2)[C@H]1O
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COC1=CC=C(C=C1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCC1=CC=CC=C1
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O[C@@H]1[C@@H](CNC(=O)C2=CC=CC=C2)OC[C@H]1NCC1=CC=CC=C1
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CCN(CC)C[C@@H]1OCC(NC(=O)C2=CC=CC=C2)[C@H]1O
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O=C(NC1=C2C=CC=CC2=CC=C1)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)C1=CC=CC=C1
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CC(=O)OCC1OC(OC(C)=O)C(NC(=O)C2=CC=C(Cl)C=C2)C(OC(C)=O)C1OC(C)=O
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FC1=CC=C(C(=O)NC2CCOC3(CCOC3)C2)C2=CC=CC=C12
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CCCCN(C)C1=CC=C(C=C1)C(=O)N1CCOC(C1)C1CCCO1
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CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](CNCC3=C(C=CC=C3)C(F)(F)F)[C@@H](O)[C@H]2O1
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COCC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N(C)CC1=CC=CC=C1
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CC(=C)CC1N(CC2=CC=CC=C2)C(=O)[C@@H]2[C@@H]([C@@H]3O[C@]12C=C3)C(O)=O
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CN(C)CC1=CC=CC=C1C(=O)N1CCOC2(CCOC2)C1
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OCCOC1(CNC(=O)C2=CC=C(C=C2)C(F)(F)F)CCOC1
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CO[C@]12CCN([C@H]1C[C@@H](CC2)OCC1CC1)C(=O)C1=CC(F)=CC=C1
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O[C@@H]1[C@@H](CNC(=O)C2=CC=CC=C2)OC[C@H]1NCC1=C(O)C=CC=C1
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CCO[C@@H]1COCC[C@H]1NC(=O)C1=CC(CN2CCCCCC2)=CC=C1
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CCC1=CC=C(C=C1)C(=O)NCC1(CCOC1)OCCO
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CO[C@]12CCN([C@H]1C[C@@H](CC2)OCC1CC1)C(=O)C1=CC=C(C=C1)C(C)C
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CC1=CC=CC(=C1)C(=O)N1CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1
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O=C(N1CCC(CC1)OCC1CCCO1)C1=CC=CC=C1CN1CCOCC1
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COC[C@@H]1[C@@H](NC(=O)C2=CC=CC=C2)[C@@H]2CCO[C@H]12
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[C@H]1([C@H]2OC[C@@H](OC(NCC)=O)[C@H]2OC1)NCC1C=CC=CC=1
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[C@]12(C[C@@]34C([C@@H]5C(CC[C@@]3(C)O)[C@@H](C(=O)O5)CN3CCOCC3)[C@@]1(C)C=C4)C(=O)O[C@@H]1C3C(C)=CCC3[C@](C)(O)C[C@H](OC(C)=O)C21
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OC(C1C=CC(C(NC2CC3(COCC3)OCC2)=O)=CC=1)=O
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N(C1CC1)(C1CCOC2(CCN(CC2)C(COCCOC)=O)C1)C(C1=CC=CC=C1)=O
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[C@H]1([C@H]2OC[C@@H](OC(NC3C=CC=CC=3)=O)[C@H]2OC1)NC(=O)C1C=CC=CC=1
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OC[C@H]1[C@H]([C@@H](N2CCOCC2)[C@H](O1)CNC(=O)C1C=C(F)C=CC=1)O
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| MCULE-2914560880 |
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C(=O)(C1C=CC(=CC=1)CN1CCCCCC1)N[C@@H]1CCOC[C@H]1OCCO
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C12C(C(OCCCC)=O)C3OC1(C=C3)CN(CC1C=CC=CC=1)C2=O
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[C@H]1([C@H]2OC[C@@H](OCC(OC)=O)[C@H]2OC1)NC(=O)C1C=C(OC)C(OC)=C(OC)C=1
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N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)C(=O)C1C=CC(=C(F)C=1)F
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N([C@@H]1CO[C@@H]([C@H]1O)CNC(C1=CC=CC=C1)=O)C1CCCC1
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|
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0.62 |
[C@@H]1([C@H](OC(=O)C)O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)N1C(=O)C2=C(C=CC=C2)C1=O
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0.62 |
CC1OC2(COCCC2)CN(C(C2=CC=C(C3(COC3)O)C=C2)=O)C1
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| MCULE-1626357444 |
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N(C[C@H]1O[C@H]2[C@@H]([C@@H]1O)O[C@H](C2)CC(=O)NCCC)CC1C=CC=CC=1C(F)(F)F
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C(=O)(N1CCC2(CC1)CC(CCO2)OCC(=O)N1CCOCC1)C1=CC(C)=CC(C)=C1
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N1(CC2(C1)CC(CO2)(CCCC)O)C(=O)C1C=CC(=CC=1C)C
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| MCULE-3438548786 |
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C(C1=CC=CC=C1)(=O)N1CCC2(CC1)CC(OCCOC)CCO2
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| MCULE-9243110295 |
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OC1=C(C(N2CC(C3OCCC3)OCC2)=O)C=C(Cl)C=C1Cl
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|
| MCULE-3176796507 |
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CN(CC1=CC(C(N2C(C3C(O)CCC3)COCC2)=O)=CC=C1)C
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|
| MCULE-5506450283 |
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[Cl-].[N+]1(CCCCC1)(CC1=CC=CC=C1)CC1OCC2CC1C(C)=CC2
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|
| MCULE-2911978393 |
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N([C@H]1CO[C@H]([C@@H]1O)CN1CCC[C@@H]1COC)C(C1C=CC=CC=1)=O
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|
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OCC1=CC=C(C(N[C@@]23CCO[C@@H]2CCC3)=O)C=C1
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|
| MCULE-9482018667 |
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O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NC1CC1)CNC(=O)C1C=C(F)C=CC=1
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0.62 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)N1CCCC1)CNC(=O)C1C=C(F)C=CC=1
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|
| MCULE-5127686364 |
0.62 |
COC1(C2=CC=C(C(N3[C@@H]4[C@@H](COC4)C4(CCC4)C3)=O)C=C2)COC1
|
|
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CC1C2(OC(C)CN(C(C3=C(Br)C=CC=C3)=O)C2)CCO1
|
|
| MCULE-6600389494 |
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N1(CCC2(CC1)CC(CCO2)CNC(C1C=CC=CC=1)=O)C(COCC)=O
|
|
| MCULE-4370879213 |
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N([C@@H]1CO[C@@H]([C@H]1O)CNC(C1=CC=CC=C1)=O)CC1=CC=CC=C1
|
|
| MCULE-7943783888 |
0.62 |
N(C)([C@@H]1CO[C@@H]([C@H]1O)CNC(C1=CC=CC=C1)=O)C
|
|
| MCULE-4101264698 |
0.62 |
N(C1CO[C@H]([C@@H]1O)CN(CC)CC)C(C1C=CC=CC=1)=O
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| MCULE-6308914893 |
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CC(OCC1C(OC(C)=O)C(OC(C)=O)C(NC(C2=CC=C(Cl)C=C2)=O)C(OC(C)=O)O1)=O
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|
| MCULE-1516027406 |
0.62 |
[C@H]1([C@H]2OC[C@@H](OC(NC3C4=CC=CC=C4C=CC=3)=O)[C@H]2OC1)NC(=O)C1C=CC=CC=1
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|
| MCULE-6008743140 |
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[C@H]1([C@H]2OC[C@@H](OCC3C=CC=CC=3)[C@H]2OC1)NC(=O)C1=CC=C(OC)C=C1
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|
| MCULE-4363561332 |
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CCCCN(C1=CC=C(C(N2CC(C3OCCC3)OCC2)=O)C=C1)C
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|
| MCULE-7134875855 |
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N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC(C)C)[C@@H]1O)CC1=CC=CC=C1C(F)(F)F
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|
| MCULE-6443026204 |
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Cl.[C@]12(C[C@@]34C([C@@H]5C(CC[C@@]3(C)O)[C@@H](C(=O)O5)CN3CCOCC3)[C@@]1(C)C=C4)C(=O)O[C@@H]1C3C(C)=CCC3[C@](C)(O)C[C@H](OC(C)=O)C21
|
|
| MCULE-8519979595 |
0.62 |
C1C23OC(C=1)C(C(=O)O)C2C(=O)N(CC1=CC=CC=C1)C3CC(C)=C
|
|
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0.62 |
C1[C@]23O[C@H](C=1)[C@@H](C(=O)O)[C@H]2C(=O)N(CC1=CC=CC=C1)C3CC(C)=C
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|
| MCULE-3830615963 |
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C(F)(F)(F)C1C=CC(=CC=1)C(=O)NCC1(COCC1)OCCO
|
|
| MCULE-9936205564 |
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C(=O)(C1=CC=CC(CN2CCCCCC2)=C1)N[C@@H]1CCOC[C@H]1OCC
|
|
| MCULE-6595375145 |
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N1(CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12)C(=O)C1C=CC(=CC=1)C(C)C
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|
| MCULE-8561733122 |
0.62 |
C(=O)(C1C=CC(=CC=1)CC)NCC1(COCC1)OCCO
|
|
| MCULE-4035926378 |
0.62 |
N1(CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12)C(=O)C1C=CC=C(F)C=1
|
|
| MCULE-9542702155 |
0.62 |
CN(CC1=C(C(N2CC3(COCC3)OCC2)=O)C=CC=C1)C
|
|
| MCULE-7747704906 |
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OC1C=CC=CC=1CN[C@@H]1CO[C@H](CNC(=O)C2C=CC=CC=2)[C@H]1O
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|
| MCULE-6514729740 |
0.62 |
FC1=C2C(C=CC=C2)=C(C(NC2CC3(COCC3)OCC2)=O)C=C1
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|
| MCULE-6017776084 |
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O=C(C1=C(CN2CCOCC2)C=CC=C1)N1CCC(OCC2OCCC2)CC1
|
|
| MCULE-2691333682 |
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C(=O)(C1C=CC=C(C)C=1)N1CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1
|
|
| MCULE-6112972442 |
0.62 |
[C@H]1(NC(C2=CC=CC=C2)=O)[C@@H]2CCO[C@@H]2[C@@H]1COC
|
|
| MCULE-2964684827 |
0.62 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NCC1C=CC(=CC=1)F)CNC(=O)C1C=CC=CC=1
|
|
| MCULE-5409977100 |
0.62 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NCCN(C)C)CNC(=O)C1C=CC=CC=1
|
|
| MCULE-4160570420 |
0.62 |
[C@H]1([C@H]2OC[C@@H](OC(NCC)=O)[C@H]2OC1)NC(=O)C1C=CC=C(C(OC)=O)C=1
|
|
| MCULE-5430064114 |
0.62 |
C12C(C(OCC)=O)C3OC1(C=C3)CN(CC1C=CC=CC=1)C2=O
|
|
| MCULE-2441421899 |
0.62 |
C12C(C(OC)=O)C3OC1(C=C3)CN(CC1C=CC=CC=1)C2=O
|
|
| MCULE-7052605091 |
0.62 |
C12C(=O)N(CC31C=CC(O3)C2C(=O)OC(C)C)CC1C=CC=CC=1
|
|
| MCULE-7635822407 |
0.62 |
C12C(C(OCCC)=O)C3OC1(C=C3)CN(CC1C=CC=CC=1)C2=O
|
|
| MCULE-6492239221 |
0.62 |
C12C(C(=O)OCC(C)C)C3OC1(C=C3)CN(CC1=CC=CC=C1)C2=O
|
|
| MCULE-3130116598 |
0.62 |
CC1C2(OCCN(C(C3=CC(C(F)(F)C)=CC=C3)=O)C2)CCO1
|
|
| MCULE-1991095886 |
0.62 |
CCCN(C(C1=CC(C(N[C@@]23CCO[C@@H]2CCC3)=O)=CC=C1)=O)CCC
|
|
| MCULE-3050849276 |
0.62 |
CNC(C1=CC(C(N2C(C3C(O)CCC3)COCC2)=O)=CC=C1)=O
|
|
| MCULE-8332140438 |
0.62 |
C(C1=CC=CC=C1)(=O)N1CCC(CC1)N[C@@H]1CCOC[C@H]1OCC1CC1
|
|
| MCULE-1248010260 |
0.62 |
NC(C1=CC(C(N2C(C3C(O)CCC3)COCC2)=O)=CC=C1)=O
|
|
| MCULE-1435333725 |
0.62 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC(C)C)[C@@H]1O)CC1=CC=CC=C1OC
|
|
| MCULE-9810817322 |
0.62 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)N(C)CC1C=CC=CC=1)CNC(=O)C1C=C(F)C=CC=1
|
|
| MCULE-3387072322 |
0.62 |
[C@H]1([C@H]2OC[C@@H](OC(NC3C4=CC=CC=C4C=CC=3)=O)[C@H]2OC1)NC(=O)C1C=CC(=CC=1)N(C)C
|
|
| MCULE-3945832641 |
0.62 |
CC(OCC1C(OC(C)=O)C(OC(C)=O)C(NC(C2=CC=C(N(=O)=O)C=C2)=O)C(OC(C)=O)O1)=O
|
|
| MCULE-7429690958 |
0.62 |
N1(CCCOC2OC(CO)C(C(O)C2NC(C)=O)O)C(=O)C2=C(C=CC=C2)C1=O
|
|
| MCULE-7365967281 |
0.62 |
N1(CCCO[C@@H]2O[C@H](CO)[C@H]([C@H](O)[C@H]2NC(C)=O)O)C(=O)C2=C(C=CC=C2)C1=O
|
|
| MCULE-9452339406 |
0.62 |
[C@@]12([H])C(C(OCCCCC)=O)[C@@H]3O[C@]1(C=C3)CN(CC1=CC=C(C=C1)C)C2=O
|
|
| MCULE-6302663791 |
0.62 |
N1(CCCCCCC(=O)N[C@H]2[C@@H](OC(C)=O)O[C@@H]([C@@H](OC(C)=O)[C@@H]2OC(C)=O)COC(C)=O)C(=O)C2C(=CC=CC=2)C1=O
|
|
| MCULE-7901486796 |
0.62 |
C12C(C(OCCCC)=O)C3OC1(C=C3)CN(CC1=CC=C(C=C1)C)C2=O
|
|
| MCULE-7398265254 |
0.62 |
N([C@H]1CO[C@H]([C@@H]1O)CN(CCCC)C)C(C1C=CC=CC=1)=O
|
|
| MCULE-8353120044 |
0.62 |
N([C@@H]1CO[C@@H]([C@H]1O)CNC(C1=CC=CC=C1)=O)CC(C)(C)C
|
|
| MCULE-6705733172 |
0.62 |
COC1(C2=CC=C(C(NC3C4(CCOCC4)OCC3)=O)C=C2)COC1
|
|
| MCULE-7529950073 |
0.62 |
C(=O)(C1=CC=CC(F)=C1)NCC1(COCC1)OCCO
|
|
| MCULE-8573935494 |
0.62 |
COC1C(C2N(C(C3=CC=C(C#N)C=C3)=O)CCOC2)CCC1
|
|
| MCULE-8540125618 |
0.62 |
N([C@@H]1CO[C@@H]([C@H]1O)CNC(C1=CC=CC=C1)=O)C1CCC(F)(F)CC1
|
|
| MCULE-3701351009 |
0.62 |
CC1OC2(COCC2)CN(C(C2C=CC(C(=O)O)=CC=2)=O)C1
|
|
| MCULE-7778678222 |
0.62 |
CCOC1C2(OCCC2)C(NC(C2=C(OCC=C)C=CC(C(F)(F)F)=C2)=O)C1
|
|
| MCULE-9324437349 |
0.62 |
C(=O)(NC1CCC2OCCOC2C1)C1C=CC=C2C=CC=CC=12
|
|
| MCULE-4896089301 |
0.62 |
[C@H]1([C@@H]2CCO[C@@H]2[C@@H]1COC)NC(=O)C1=CC=CC2C=CC=CC1=2
|
|
| MolPort-002-523-891 |
0.62 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN(C)CC4=CC=CC=C4)[C@H]3C=C12
|
|
| MolPort-002-514-591 |
0.62 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCC4=CC=CC=C4)[C@H]3C=C12
|
|
| MolPort-001-747-867 |
0.62 |
O[C@H]1[C@@H](O)[C@H](CC(=O)NCC2=CC=C(F)C=C2)O[C@@H]1CNC(=O)C1=CC=CC=C1
|
|
| MolPort-005-949-650 |
0.62 |
CN(C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=CC=C2)[C@@H](O)[C@H]1O
|
|
| MolPort-002-528-084 |
0.62 |
C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(CN3CCN(CC3)C(=O)C3=CC=CC=C3)[C@@H]2CCC1=C
|
|
| MolPort-001-751-464 |
0.62 |
CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)NC(=O)C1=CC(=CC=C1)C(=O)OC
|
|
| MolPort-005-952-526 |
0.62 |
CN(CC1=CC=CC=C1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1CCCC1
|
|
| MolPort-002-006-697 |
0.62 |
CC(C)OC(=O)C1C2OC3(CN(CC4=CC=CC=C4)C(=O)C13)C=C2
|
|
| MolPort-002-517-000 |
0.62 |
CC(C)OC(=O)C1[C@@H]2O[C@@]3(CN(CC4=CC=CC=C4)C(=O)[C@H]13)C=C2
|
|
| MolPort-002-516-999 |
0.62 |
CC(C)COC(=O)C1[C@@H]2O[C@@]3(CN(CC4=CC=CC=C4)C(=O)[C@H]13)C=C2
|
|
| MolPort-002-517-112 |
0.62 |
CCOC(=O)C1[C@@H]2O[C@@]3(CN(CC4=CC=CC=C4)C(=O)[C@H]13)C=C2
|
|
| MolPort-002-527-889 |
0.62 |
CCCOC(=O)C1[C@@H]2O[C@@]3(CN(CC4=CC=CC=C4)C(=O)[C@H]13)C=C2
|
|
| MolPort-002-006-696 |
0.62 |
CCOC(=O)C1C2OC3(CN(CC4=CC=CC=C4)C(=O)C13)C=C2
|
|
| MolPort-044-649-149 |
0.62 |
COC(=O)C1[C@@H]2OC3(CN(CC4=CC=CC=C4)C(=O)[C@@H]13)C=C2
|
|
| MolPort-002-342-415 |
0.62 |
CC(C)COC(=O)C1C2OC3(CN(CC4=CC=CC=C4)C(=O)C13)C=C2
|
|
| MolPort-035-757-460 |
0.62 |
CCCOC(=O)[C@H]1[C@@H]2OC3(CN(CC4=CC=CC=C4)C(=O)[C@@H]13)C=C2
|
|
| MolPort-002-006-698 |
0.62 |
CCCOC(=O)C1C2OC3(CN(CC4=CC=CC=C4)C(=O)C13)C=C2
|
|
| MolPort-002-006-695 |
0.62 |
COC(=O)C1C2OC3(CN(CC4=CC=CC=C4)C(=O)C13)C=C2
|
|
| MolPort-002-517-004 |
0.62 |
COC(=O)C1[C@@H]2O[C@@]3(CN(CC4=CC=CC=C4)C(=O)[C@H]13)C=C2
|
|
| MolPort-038-404-367 |
0.62 |
O=C(N1CCC(CC1)N[C@@H]1CCOC[C@H]1OCC1CC1)C1=CC=CC=C1
|
|
| MolPort-039-171-854 |
0.62 |
NC(=O)C1=CC=CC(=C1)C(=O)N1CCOCC1C1CCCC1O
|
|
| MolPort-038-385-470 |
0.62 |
COC1=C(CNC[C@H]2O[C@@H]3C[C@@H](CC(=O)NC(C)C)O[C@@H]3[C@@H]2O)C=CC=C1
|
|
| MolPort-039-171-878 |
0.62 |
CNC(=O)C1=CC=CC(=C1)C(=O)N1CCOCC1C1CCCC1O
|
|
| MolPort-001-747-896 |
0.62 |
CN(CC1=CC=CC=C1)C(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=CC(F)=C2)[C@@H](O)[C@H]1O
|
|
| MolPort-001-751-069 |
0.62 |
CN(C)C1=CC=C(C=C1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)NC1=C2C=CC=CC2=CC=C1
|
|
| MolPort-002-342-426 |
0.62 |
CCCCOC(=O)C1C2OC3(CN(CC4=CC=C(C)C=C4)C(=O)C13)C=C2
|
|
| MolPort-002-517-191 |
0.62 |
CCCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CC4=CC=C(C)C=C4)C(=O)[C@H]13)C=C2
|
|
| MolPort-002-517-181 |
0.62 |
CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(CC4=CC=C(C)C=C4)C(=O)[C@H]13)C=C2
|
|
| MolPort-007-686-093 |
0.62 |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCCCN1C(=O)C2=CC=CC=C2C1=O
|
|
| MolPort-042-673-738 |
0.62 |
CCCCN(C)C[C@@H]1OC[C@H](NC(=O)C2=CC=CC=C2)[C@H]1O
|
|
| MolPort-027-851-660 |
0.62 |
CC(C)(C)CN[C@@H]1CO[C@H](CNC(=O)C2=CC=CC=C2)[C@H]1O
|
|
| MolPort-000-764-264 |
0.62 |
CC(=O)OC[C@H]1O[C@H](OC(C)=O)[C@H](NC(=O)CCCCCCN2C(=O)C3=CC=CC=C3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
|
|
| MolPort-002-522-466 |
0.62 |
CC1CCC=C2C[C@H]3OC(=O)C(CN4CCN(CCOCCO)CC4)[C@H]3C(O)[C@]12C
|
|
| MolPort-046-064-675 |
0.62 |
OCCOC1(CNC(=O)C2=CC(F)=CC=C2)CCOC1
|
|
| MolPort-028-945-960 |
0.62 |
CCOC1CC(NC(=O)C2=CC(=CC=C2OCC=C)C(F)(F)F)C11CCCO1
|
|
| MolPort-039-171-663 |
0.62 |
COC1CCCC1C1COCCN1C(=O)C1=CC=C(C=C1)C#N
|
|
| MolPort-023-275-077 |
0.62 |
O[C@@H]1[C@@H](CNC(=O)C2=CC=CC=C2)OC[C@H]1NC1CCC(F)(F)CC1
|
|
| MolPort-038-408-279 |
0.62 |
COC[C@@H]1[C@H](NC(=O)C2=CC=CC3=CC=CC=C23)[C@@H]2CCO[C@H]12
|
|
| MolPort-039-073-337 |
0.62 |
O=C(NC1CCC2OCCOC2C1)C1=CC=CC2=CC=CC=C12
|
|
| MolPort-002-528-402 |
0.62 |
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN(CC4=CC=CC=C4)CC4=CC=CC=C4)[C@H]3C=C12
|
|
| MolPort-004-948-899 |
0.61 |
O=C(CNC(=O)C1=CC=CC=C1)OCC1CCCN2CCCCC12
|
|
| MolPort-027-852-643 |
0.61 |
COCCOC[C@@]1(CNC(=O)C2=CC=C(F)C=C2)C[C@H](O)[C@H](O)C1
|
|
| MolPort-046-114-827 |
0.61 |
CC1(CCOC1C1CC1)NC(=O)C1=CC=C(C=C1)C(O)=O
|
|
| MolPort-042-560-655 |
0.61 |
CCC1=C(C=CC=C1)C(=O)N1CC[C@@]2(CC[C@H](C[C@H]12)OCC1CC1)OC
|
|
| MolPort-044-233-240 |
0.61 |
CCO[C@@H]1CC(NCC2=CC=CC=C2OC)[C@]11CCCO1
|
|
| MolPort-002-513-818 |
0.61 |
OC(=O)C1[C@@H]2O[C@]3(C=C2)C(CC=C)N(CC2=CC=CC=C2)C(=O)[C@H]13
|
|
| MolPort-046-596-540 |
0.61 |
CCC(=O)O[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1NC(C)=O)OC(=O)CC
|
|
| MolPort-002-528-901 |
0.61 |
CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]2(C)C1NC(C)=O)OC(=O)CC
|
|
| MolPort-000-841-878 |
0.61 |
CCC(=O)OC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1NC(C)=O)OC(=O)CC
|
|
| MolPort-046-642-050 |
0.61 |
O=C(N1CCOCC1)C1=CC=C(CNC2CCOC22CCCC2)C=C1
|
|
| MolPort-005-952-266 |
0.61 |
OC[C@@H]1O[C@H](CNC(=O)C2=CC=CC=C2)[C@@H]([C@@H]1O)N1CCC2=C(C1)C=CC=C2
|
|
| MolPort-046-587-376 |
0.61 |
CCOCCOC1=C(C=CC=C1)C(=O)NC1COC2(C1)CCCCC2
|
|
| MolPort-002-342-421 |
0.61 |
CCCOC(=O)C1C2OC3(CN(C(C)C4=CC=CC=C4)C(=O)C13)C=C2
|
|
| MolPort-002-342-423 |
0.61 |
CCCCOC(=O)C1C2OC3(CN(C(C)C4=CC=CC=C4)C(=O)C13)C=C2
|
|
| MolPort-044-649-150 |
0.61 |
CC(C)COC(=O)C1[C@@H]2OC3(CN(C(C)C4=CC=CC=C4)C(=O)[C@@H]13)C=C2
|
|
| MolPort-002-006-700 |
0.61 |
COC(=O)C1C2OC3(CN(C(C)C4=CC=CC=C4)C(=O)C13)C=C2
|
|
| MolPort-002-517-119 |
0.61 |
COC(=O)C1[C@@H]2O[C@@]3(CN(C(C)C4=CC=CC=C4)C(=O)[C@H]13)C=C2
|
|
| MolPort-030-083-507 |
0.61 |
CCCOC(=O)C1[C@@H]2OC3(CN(C(C)C4=CC=CC=C4)C(=O)[C@@H]13)C=C2
|
|
| MolPort-002-517-093 |
0.61 |
CCOC(=O)C1[C@@H]2O[C@@]3(CN(C(C)C4=CC=CC=C4)C(=O)[C@H]13)C=C2
|
|
| MolPort-002-517-089 |
0.61 |
CCCCOC(=O)C1[C@@H]2O[C@@]3(CN(C(C)C4=CC=CC=C4)C(=O)[C@H]13)C=C2
|
|
| MolPort-035-757-465 |
0.61 |
CCOC(=O)[C@H]1[C@@H]2OC3(CN(C(C)C4=CC=CC=C4)C(=O)[C@@H]13)C=C2
|
|
| MolPort-002-006-701 |
0.61 |
CCOC(=O)C1C2OC3(CN(C(C)C4=CC=CC=C4)C(=O)C13)C=C2
|
|
| MolPort-002-192-992 |
0.61 |
CC(=O)OCC1OC(OC(C)=O)C(NC(=O)C2=C(Cl)C=CC=C2)C(OC(C)=O)C1OC(C)=O
|
|
| MolPort-001-750-931 |
0.61 |
CC1=CC=C(C=C1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)NC1=CC=CC=C1
|
|
| MolPort-002-517-026 |
0.61 |
CC(C)COC(=O)C1[C@@H]2O[C@@]3(CN(C(C)C4=CC=CC=C4)C(=O)[C@H]13)C=C2
|
|
| MolPort-002-517-014 |
0.61 |
CCCOC(=O)C1[C@@H]2O[C@@]3(CN(C(C)C4=CC=CC=C4)C(=O)[C@H]13)C=C2
|
|
| MolPort-002-342-422 |
0.61 |
CC(C)COC(=O)C1C2OC3(CN(C(C)C4=CC=CC=C4)C(=O)C13)C=C2
|
|
| MolPort-003-855-537 |
0.61 |
CC(C)CCCC(C)C1CCC2C3C=CC4CC(CCC4(C)C3CCC12C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
|
|
| MolPort-001-741-535 |
0.61 |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC2OCC(O[C@H]3OC[C@](O)(CO)[C@H]3O)C(OC3OCC(O)C(O)C3O)C2O)O[C@H]1O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(C(O)C[C@@]32C)C(=O)OC2OCC(O)C(O)C2O)C1(C)C
|
|
| MolPort-006-668-871 |
0.61 |
CN(CC1=CC=CC=C1)C(=O)C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O
|
|
| MolPort-046-744-195 |
0.61 |
CC1=CC=CC(C(=O)NC2CCCOC22CCNCC2)=C1O
|
|
| MolPort-042-579-251 |
0.61 |
CO[C@]12CCN([C@H]1C[C@H](CC2)OCCO)C(=O)C1=CC(=CC=C1)C#N
|
|
| MolPort-027-906-388 |
0.61 |
CN(C)C1=CC=CC(=C1)C(=O)N1CCOC(C1)C1CCCO1
|
|
| MolPort-042-673-808 |
0.61 |
CC1CCN(C[C@@H]2OC[C@H](NC(=O)C3=CC=CC=C3)[C@H]2O)CC1
|
|
| MolPort-028-608-039 |
0.61 |
CC1=CC=C(CN[C@@H]2CO[C@H](CNC(=O)C3=CC=CC=C3)[C@H]2O)C=C1
|
|
| MolPort-042-673-671 |
0.61 |
O[C@H]1[C@H](CN2CCOCC2)OC[C@@H]1NC(=O)C1=CC=CC=C1
|
|
| MolPort-042-568-300 |
0.61 |
CO[C@]12CCN([C@H]1C[C@@H](O)CC2)C(=O)C1=CC=C(C=C1)C(=O)N1CCOCC1
|
|
| MolPort-003-848-824 |
0.61 |
COC1OC(CO)C(O)C(O)C1N1C(=O)C2=C(C=CC=C2)C1=O
|
|
| MolPort-002-522-081 |
0.61 |
CC1CCC=C2C[C@H]3OC(=O)C(CN4CCN(CC4)C(C4=CC=CC=C4)C4=CC=CC=C4)[C@H]3C(O)[C@]12C
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| MolPort-046-066-909 |
0.61 |
O=C(NC1CCC2OCCOC2C1)C1=CC=C(C=C1)N1CCOCC1
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|
| MolPort-001-750-865 |
0.61 |
COC1=CC(=CC(OC)=C1OC)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OCC(N)=O
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|
| MolPort-046-065-407 |
0.61 |
CC1=CC(C(=O)NCC2(CCOC2)OCCO)=C(C)C=C1
|
|
| MolPort-035-757-467 |
0.61 |
CCCOC(=O)[C@H]1[C@@H]2OC3(CN(CC4=CC=C(C)C=C4)C(=O)[C@@H]13)C=C2
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|
| MolPort-002-517-156 |
0.61 |
CCCOC(=O)C1[C@@H]2O[C@@]3(CN(CC4=CC=C(C)C=C4)C(=O)[C@H]13)C=C2
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|
| MolPort-002-517-135 |
0.61 |
CCOC(=O)C1[C@@H]2O[C@@]3(CN(CC4=CC=C(C)C=C4)C(=O)[C@H]13)C=C2
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|
| MolPort-035-757-466 |
0.61 |
COC(=O)[C@H]1[C@@H]2OC3(CN(CC4=CC=C(C)C=C4)C(=O)[C@@H]13)C=C2
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|
| MolPort-002-517-097 |
0.61 |
COC(=O)C1[C@@H]2O[C@@]3(CN(CC4=CC=C(C)C=C4)C(=O)[C@H]13)C=C2
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| MolPort-038-385-516 |
0.61 |
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCC3=C(Cl)C=CC=C3)[C@@H](O)[C@H]2O1
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|
| MolPort-044-649-151 |
0.61 |
CCOC(=O)C1[C@@H]2OC3(CN(CC4=CC=C(C)C=C4)C(=O)[C@@H]13)C=C2
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|
| MolPort-002-517-051 |
0.61 |
CC(C)OC(=O)C1[C@@H]2O[C@@]3(CN(CC4=CC=C(C)C=C4)C(=O)[C@H]13)C=C2
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|
| MolPort-002-006-706 |
0.61 |
CCOC(=O)C1C2OC3(CN(CC4=CC=C(C)C=C4)C(=O)C13)C=C2
|
|
| MolPort-002-006-707 |
0.61 |
CCCOC(=O)C1C2OC3(CN(CC4=CC=C(C)C=C4)C(=O)C13)C=C2
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|
| MolPort-005-949-613 |
0.61 |
CC(C)NC(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=C(C=C2)N(C)C)[C@@H](O)[C@H]1O
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|
| MolPort-005-949-667 |
0.61 |
O[C@@H]1[C@@H](CNC(=O)C2=CC=CC=C2)O[C@@H](CC(=O)NCCN2CCOCC2)[C@@H]1O
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|
| MolPort-005-949-634 |
0.61 |
COCCNC(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=C(C=C2)N(C)C)[C@@H](O)[C@H]1O
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|
| MolPort-005-949-910 |
0.61 |
CC1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CC(=O)NCC#C)[C@H](O)[C@@H]1O
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|
| MolPort-001-912-423 |
0.61 |
CC(C)OC(=O)C1C2OC3(CN(CC4=CC=C(C)C=C4)C(=O)C13)C=C2
|
|
| MolPort-002-006-705 |
0.61 |
COC(=O)C1C2OC3(CN(CC4=CC=C(C)C=C4)C(=O)C13)C=C2
|
|
| MolPort-044-346-667 |
0.61 |
O=C(CC1CCOC2(CCN(CC2)C(=O)C2=CC=CC=C2)C1)N1CCOCC1
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|
| MolPort-038-412-071 |
0.61 |
COC[C@@H]1[C@H](NC(=O)C2=C(O)C3=CC=CC=C3C=C2)[C@@H]2CCO[C@H]12
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|
| MolPort-005-945-616 |
0.61 |
CC(=O)NC1C(O)C(O)C(COC2OCC(O)C(O)C2OC2OCC(O)C(O)C2O)OC1OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(CCC32C)C(=O)OC2OC(CO)C(O)C(O)C2O)C1(C)C
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|
| MolPort-044-529-087 |
0.61 |
OC(=O)C1=CC=C(C=C1)C(=O)NC1COC2(CCC2)C1
|
|
| MolPort-023-274-343 |
0.61 |
CC1OC(OC2C(O)C(C)OC(OC[C@H]3O[C@@H](O[C@H]4CC[C@@]5(C)C(CC[C@]6(C)C5CC=C5[C@@H]7CC(C)(C)CC[C@@]7(CC[C@@]65C)C(=O)OC5OCC(O)C(O)C5O)C4(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]3O)C2O)C(O)C(O)C1O
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|
| MolPort-005-945-179 |
0.61 |
CC1OC(OC2C(O)C(C)OC(OC3C(O)COC(OC4C(O)C(C)OC(OC[C@H]5O[C@@H](O[C@H]6CC[C@@]7(C)C(CC[C@]8(C)C7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(CC[C@@]87C)C(=O)OC7OCC(O)C(O)C7O)C6(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]5O)C4O)C3O)C2O)C(O)C(O)C1O
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|
| MCULE-9407401677 |
0.61 |
O=C(C1=CC=C(OC2COCC2)C=C1)N[C@@]12CCO[C@@H]1CCC2
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|
| MCULE-6736731849 |
0.61 |
OC(C1C=CC(C(NC2C3OC(CC3)C2)=O)=CC=1)=O
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|
| MCULE-3430505787 |
0.61 |
COC1(COCC1)CNC(C1=C2C(C=CC=C2)=CC=C1O)=O
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|
| MCULE-8220193844 |
0.61 |
CC1(NC(C2=CC=C(C(O)=O)C=C2)=O)C(C2CC2)OCC1
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|
| MCULE-7781509890 |
0.61 |
N12CCCCC1C(CCC2)COC(CNC(C1C=CC=CC=1)=O)=O
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|
| MCULE-2192804000 |
0.61 |
C1=CC=C(C=C1)C(=O)NCC(=O)OCC1CCC[N+]2(C)CCCCC21
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|
| MCULE-6106540920 |
0.61 |
[C@H]1(O)C[C@](CNC(=O)C2C=CC(=CC=2)F)(COCCOC)C[C@H]1O
|
|
| MCULE-9950950569 |
0.61 |
[C@@]123C=C[C@H](C(C(O)=O)[C@@]1([H])C(N(CC1C=CC=CC=1)C2CC=C)=O)O3
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|
| MCULE-5464133748 |
0.61 |
COC1=C(C(N2CC(C3OCCC3)OCC2)=O)C=CC(CO)=C1
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|
| MCULE-2134990157 |
0.61 |
N1(CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12)C(=O)C1C=CC=CC=1CC
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|
| MCULE-2950798887 |
0.61 |
CCO[C@H]1[C@]2(OCCC2)C(NCC2=C(OC)C=CC=C2)C1
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|
| MCULE-2387430160 |
0.61 |
COC1(C2=CC=C(C(NC3CC(C4CC4)OC3)=O)C=C2)COC1
|
|
| MCULE-3244840524 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CC)=O)C1CC(OC(CC)=O)C2NC(C)=O
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|
| MCULE-3041012513 |
0.61 |
O=C(C1=CC=C(CNC2C3(CCCC3)OCC2)C=C1)N1CCOCC1
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|
| MCULE-4623098744 |
0.61 |
C1(NC(=O)C2C=CC=CC=2Cl)C(OC(C)=O)OC(C(OC(C)=O)C1OC(C)=O)COC(C)=O
|
|
| MCULE-2313954928 |
0.61 |
[C@H]1([C@H]2OC[C@@H](OC(NC3C=CC=CC=3)=O)[C@H]2OC1)NC(=O)C1C=CC(C)=CC=1
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|
| MCULE-3281061509 |
0.61 |
C(=O)(NC1COC2(CCCCC2)C1)C1=CC=CC=C1OCCOCC
|
|
| MCULE-9670663548 |
0.61 |
OC1=C2C(C=CC=C2)=CC(C(N[C@@]23CCO[C@@H]2CCC3)=O)=C1
|
|
| MCULE-9592443416 |
0.61 |
FC(C1=C(C(N[C@H]2[C@H]3O[C@H](CC3)C2)=O)C=CC=C1)F
|
|
| MCULE-6634331142 |
0.61 |
C12C(C(OCCC)=O)C3OC1(C=C3)CN(C(C)C1C=CC=CC=1)C2=O
|
|
| MCULE-8967303488 |
0.61 |
C12C(C(OCCCC)=O)C3OC1(C=C3)CN(C(C)C1C=CC=CC=1)C2=O
|
|
| MCULE-6490558828 |
0.61 |
C12C(C(OCC)=O)C3OC1(C=C3)CN(C(C)C1C=CC=CC=1)C2=O
|
|
| MCULE-8126125733 |
0.61 |
C12C(C(OC)=O)C3OC1(C=C3)CN(C(C)C1C=CC=CC=1)C2=O
|
|
| MCULE-1076251759 |
0.61 |
C12C(C(=O)OCC(C)C)C3OC1(C=C3)CN(C(C)C1C=CC=CC=1)C2=O
|
|
| MCULE-4730817924 |
0.61 |
C1(CCCC1)C(NC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)CC(=O)N(C)CC1C=CC=CC=1)=O
|
|
| MCULE-4533768465 |
0.61 |
C1(C=CC=C(C)C=1O)C(=O)NC1CCCOC21CCNCC2
|
|
| MCULE-3994219411 |
0.61 |
OC1(C2=CC=C(C(N[C@H]3[C@H]4O[C@H](CC4)C3)=O)C=C2)COC1
|
|
| MCULE-3035251796 |
0.61 |
N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)C(=O)C1C=CC=C(C=1)C#N
|
|
| MCULE-3427832498 |
0.61 |
CN(C1=CC(C(N2CC(C3OCCC3)OCC2)=O)=CC=C1)C
|
|
| MCULE-6701446838 |
0.61 |
N1(CC[C@]2(OC)CC[C@H](O)C[C@H]12)C(=O)C1C=CC(=CC=1)C(=O)N1CCOCC1
|
|
| MCULE-5130671446 |
0.61 |
N([C@@H]1CO[C@@H]([C@H]1O)CNC(C1=CC=CC=C1)=O)CC1=CC=C(C)C=C1
|
|
| MCULE-8060562772 |
0.61 |
N([C@H]1CO[C@H]([C@@H]1O)CN1CCC(CC1)C)C(C1C=CC=CC=1)=O
|
|
| MCULE-1645448202 |
0.61 |
N([C@@H]1[C@@H](O)[C@@H](OC1)CN1CCOCC1)C(C1C=CC=CC=1)=O
|
|
| MCULE-8192532937 |
0.61 |
C1(C=C(C)C=CC=1C)C(=O)NCC1(COCC1)OCCO
|
|
| MCULE-7069297278 |
0.61 |
[C@H]1([C@H]2OC[C@@H](OCC(N)=O)[C@H]2OC1)NC(=O)C1C=C(OC)C(OC)=C(OC)C=1
|
|
| MCULE-3944811755 |
0.61 |
CC1C2(OC(C)CN(C(C3=C(C)C=CC(O)=C3)=O)C2)CCO1
|
|
| MCULE-6655862867 |
0.61 |
C(=O)(C1=CC=C(C=C1)N1CCOCC1)NC1CCC2C(OCCO2)C1
|
|
| MCULE-3239888544 |
0.61 |
C12C(C(OCC)=O)C3OC1(C=C3)CN(CC1=CC=C(C=C1)C)C2=O
|
|
| MCULE-1623175984 |
0.61 |
C12C(C(OCCC)=O)C3OC1(C=C3)CN(CC1=CC=C(C=C1)C)C2=O
|
|
| MCULE-2237283722 |
0.61 |
C12C(=O)N(CC31C=CC(O3)C2C(=O)OC(C)C)CC1=CC=C(C=C1)C
|
|
| MCULE-9687686279 |
0.61 |
C12C(C(OC)=O)C3OC1(C=C3)CN(CC1=CC=C(C=C1)C)C2=O
|
|
| MCULE-1710662306 |
0.61 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NCCOC)[C@@H]1O)CC1=CC=CC=C1Cl
|
|
| MCULE-9059781227 |
0.61 |
C1=C(C(NC[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O2)CC(=O)NCC#C)=O)C=CC(C)=C1
|
|
| MCULE-4807080821 |
0.61 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NC(C)C)CNC(=O)C1C=CC(=CC=1)N(C)C
|
|
| MCULE-9187348438 |
0.61 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NCCN1CCOCC1)CNC(=O)C1C=CC=CC=1
|
|
| MCULE-5572387858 |
0.61 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NCCOC)CNC(=O)C1C=CC(=CC=1)N(C)C
|
|
| MCULE-5501305516 |
0.61 |
O(C(=O)C12C(C3C(CC1)(C)C1(C(C4(CCC(OC5OC(COC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)C(O)C(O)C5NC(C)=O)C(C)(C)C4CC1)C)CC=3)C)CC(C)(CC2)C)C1OC(C(O)C(O)C1O)CO
|
|
| MCULE-1830414690 |
0.61 |
[C@H]1([C@@H]2CCO[C@@H]2[C@@H]1COC)NC(=O)C1=CC=C2C(C=CC=C2)=C1O
|
|
| MCULE-6291255240 |
0.61 |
C(C1=CC=CC=C1)(=O)N1CCC2(CC1)CC(CCO2)CC(=O)N1CCOCC1
|
|
| MCULE-2513348517 |
0.61 |
[I-].C1=CC=C(C=C1)C(=O)NCC(=O)OCC1CCC[N+]2(C)CCCCC21
|
|
| MCULE-5425339177 |
0.61 |
OC1=C(C(NCC2OCC3(CCOCC3)C2)=O)C2=C(C=CC=C2)C=C1
|
|
| MCULE-9862136633 |
0.61 |
OC(C1C=CC(C(NC2CC3(CCC3)OC2)=O)=CC=1)=O
|
|
| MCULE-3099735169 |
0.61 |
CCOC1C2(OCCC2)C(NC(C2=C(N)C(N(=O)=O)=CC(C)=C2)=O)C1
|
|
| MCULE-2450591115 |
0.61 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)N(C)CC1C=CC=CC=1)CNC(=O)C
|
|
| MCULE-7516642510 |
0.61 |
C1(OCC(C[N+]2(CCCCC2)CC2=CC=CC=C2)O1)C1C(C)CC(=CC1C)C
|
|
| MCULE-9272041182 |
0.61 |
[C@H]1([C@H]2OC[C@@H](OC(NC3C4=CC=CC=C4C=CC=3)=O)[C@H]2OC1)NC(=O)C1C=CC(C)=CC=1
|
|
| MCULE-2733000543 |
0.61 |
[C@@]123C=C[C@H](C(C(O)=O)[C@@]1([H])C(N(C(C)C1=CC=CC=C1)C2CC=C)=O)O3
|
|
| MCULE-2444901964 |
0.61 |
C1C[C@]2(C)C3CC=C4[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O[C@H]1[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)[C@@H](CO)O1
|
|
| MCULE-2703603856 |
0.61 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NCC1C=CC(=CC=1)F)CNC(=O)C1C=C(F)C=CC=1
|
|
| MCULE-2755141852 |
0.61 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)N2CCC(F)(F)C2)[C@@H]1O)CC1=CC=CC=C1C
|
|
| MCULE-3019032681 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(CCC)=O)C1CC(OC(CCC)=O)C2NC(C)=O
|
|
| MCULE-5075067873 |
0.61 |
CC1OC(C)CN(C(C2=CC=C(CNC3[C@@H]4[C@H]5C[C@H]3C[C@@H]5CO4)C=C2)=O)C1
|
|
| MCULE-8994568176 |
0.61 |
N1(CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12)C(=O)C1C=CC(=C(C)C=1)C
|
|
| MCULE-2869090226 |
0.61 |
OC1=C2C(C=CC=C2)=CC(C(NC2CC3(COCC3)OCC2)=O)=C1
|
|
| MCULE-4219108735 |
0.61 |
CC1C2(OCCN(C(C3=CC=C(B(O)O)C=C3)=O)C2)CCO1
|
|
| MCULE-2752085791 |
0.61 |
N1(CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12)C(=O)C1C=CC=CC=1OC
|
|
| MCULE-2838551288 |
0.61 |
N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)C(=O)C1C=CC(=CC=1OC)C
|
|
| MCULE-3600279289 |
0.61 |
C1(C(=O)N2CC(CCC2)OCCOCC)C=CC=CC=1
|
|
| MCULE-8979302336 |
0.61 |
C12(C)CCC3C(CC=C4CC(CCC34C)OC(C)=O)C1CC(OC(CCC(C)COC(C)=O)=O)C2NC(C)=O
|
|
| MCULE-4362842951 |
0.61 |
C(C1C=CC=CC=1)(=O)NCC1CCC2(CCN(CC2)CC2C=CC(=CC=2)CC)O1
|
|
| MCULE-4493555305 |
0.61 |
C(C1=CC=CC=C1)(=O)NCC1CCC2(CCN(CC2)CC2=CC=C(C=C2)C(C)C)O1
|
|
| MCULE-4162413615 |
0.61 |
CCOC1C2(OCCC2)C(NC2CCN(CC3=CC=CC=C3)CC2)C1
|
|
| MCULE-3379476899 |
0.61 |
N1(CCC2(CC1)CCC(CNC(=O)C1=CC=C(C=C1)C)O2)C(=O)CC(C)C
|
|
| MCULE-4658505481 |
0.61 |
N([C@@H]1CO[C@@H]([C@H]1O)CNC(C1=CC=C(F)C=C1)=O)C1CCCCC1
|
|
| MCULE-7575223008 |
0.61 |
C(=O)(C1C=CC=CC=1C#N)NC1COC2(CCCCC2)C1
|
|
| MCULE-4424370035 |
0.61 |
N1(CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12)C(=O)C1C=CC(=CC=1)CC(C)C
|
|
| MCULE-1133115171 |
0.61 |
[C@H]1(NC(=O)C2C=CC(=CC=2)OCCNC(C)=O)[C@@H]2CCO[C@@H]2[C@@H]1COC
|
|
| MCULE-6202502556 |
0.61 |
CCC1=C(O)C(C(NC2CC3(COCC3)OCC2)=O)=CC=C1
|
|
| MCULE-5797911534 |
0.61 |
[C@@H]1(NC(=O)C2C=CC(=CC=2)OCCNC(C)=O)[C@@H]2CCO[C@@H]2[C@@H]1COC
|
|
| MCULE-4353286365 |
0.61 |
OC1=C(C(N2CC3(COCC3)OCC2)=O)C=CC=C1F
|
|
| MCULE-7923936992 |
0.61 |
CC1C2(OCCN(C(C3=CC(Cl)=C(Cl)C=C3)=O)C2)CCO1
|
|
| MCULE-3890621425 |
0.61 |
CNC1=C(F)C=C(C(N2CC(C3OCCC3)OCC2)=O)C=C1
|
|
| MCULE-8634302683 |
0.61 |
C1=C(C=CC(=C1)C)C(NC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)CC(=O)NCCN(C)C)=O
|
|
| MCULE-3205378908 |
0.61 |
C1=C(C(NC[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O2)CC(=O)NCC2C=CC(=CC=2)F)=O)C=CC(=C1)C
|
|
| MCULE-3744516395 |
0.61 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)N2CCOCC2)[C@@H]1O)CC1=CC=CC=C1Cl
|
|
| MCULE-7379174361 |
0.61 |
[C@H]1(OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CC=C2)[C@H](O[C@@H](OC(=O)C2C=CC=CC=2)[C@@H]1NC(=O)C1C=CC=CC=1)COC(=O)C1C=CC=CC=1
|
|
| MCULE-8569754092 |
0.61 |
C12C(=O)N(CC31C=CC(O3)C2(C)C(O)=O)CC1C=CC=CC=1
|
|
| MCULE-7641798464 |
0.61 |
[C@H]1(OC(=O)C2=CC=CC=C2)[C@H](OC(=O)C2=CC=CC=C2)[C@H](O[C@H](OC(=O)C2C=CC=CC=2)[C@@H]1NC(=O)C1C=CC=CC=1)COC(=O)C1C=CC=CC=1
|
|
| MCULE-7325780895 |
0.61 |
C12C(C(O)=O)C3OC1(C=C3)CN(CC1C=CC=CC=1)C2=O
|
|
| MCULE-5088577067 |
0.61 |
[C@H]1([C@H]2OC[C@@H](OC(NC3=CC=C(C=C3)C(=O)C)=O)[C@H]2OC1)NC(=O)C1C=CC=CC=1
|
|
| MCULE-9133235239 |
0.61 |
C12C(C(O)=O)C3(OC1(C=C3)CN(CC1C=CC=CC=1)C2=O)C
|
|
| MCULE-8818728104 |
0.61 |
[C@H]1([C@H]2OC[C@@H](OC(NC3=CC=C(C(C)C)C=C3)=O)[C@H]2OC1)NC(=O)C1C=CC=CC=1
|
|
| MCULE-8056899838 |
0.61 |
FC(C1=C(C(NC2C(C3CC3)COC2)=O)C=CC=C1)F
|
|
| MCULE-4484625692 |
0.61 |
C(=O)(C1C=CC=C(F)C=1)N1CCC2(CC1)CC(OCCOC)CCO2
|
|
| MCULE-2861635233 |
0.61 |
CCOC1C(OC)C(NC(C2=C(O)C3C=C(O)C=CC=3C=C2)=O)C1
|
|
| MCULE-3717022057 |
0.61 |
N(C(=O)CCC(=O)O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4([H])[C@@H]([C@@H](CCCC(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C1)CCOCCOC
|
|
| MCULE-7280562280 |
0.61 |
O=C(C1C=CC=C(CNCC2CC=CCC2)C=1)NCC1OCCC1
|
|
| MCULE-4816753717 |
0.61 |
N1(CC2(C1)CC(CO2)(CCCC)O)C(=O)C1C=CC(=C(F)C=1)C
|
|
| MCULE-7785370824 |
0.61 |
C(C(NC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)CC(=O)N(C)CC1C=CC=CC=1)=O)(CC)CC
|
|
| MCULE-4050666618 |
0.61 |
N1(CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12)C(=O)C1=CC(F)=CC=C1C
|
|
| MCULE-2708881857 |
0.61 |
COC1=C(C(N2CC3(CCCC3)COCC2)=O)C=CC=C1
|
|
| MCULE-2295165585 |
0.61 |
[Cl-].C1(OCC(C[N+]2(CCCCC2)CC2=CC=CC=C2)O1)C1C(C)CC(=CC1C)C
|
|
| MCULE-8183529115 |
0.61 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)N(C)CC1C=CC=CC=1)CNC(=O)C1CC1
|
|
| MCULE-4695300214 |
0.61 |
OC1(C2=CC=C(C(NC3C(C4CC4)COC3)=O)C=C2)COC1
|
|
| MCULE-7892714610 |
0.61 |
N(C[C@H]1O[C@H]2[C@H](O[C@H](C2)CC(=O)NCC2=CC=C(F)C=C2)[C@@H]1O)C1CCCCC1
|
|
| MCULE-6845461092 |
0.61 |
CC1(OC2(COCCC2)CN(C(C2=C(OC3CC3)C=CC=C2)=O)C1)C
|
|
| MCULE-2176320572 |
0.61 |
N1(CCCCCCC(=O)N[C@H]2[C@@H](OC)O[C@@H]([C@@H](O)[C@@H]2O)CO)C(=O)C2=C(C=CC=C2)C1=O
|
|
| MolPort-001-751-080 |
0.61 |
CC1=CC=C(C=C1)C(=O)N[C@H]1CO[C@@H]2[C@@H](CO[C@H]12)OC(=O)NC1=C2C=CC=CC2=CC=C1
|
|
| MolPort-006-668-870 |
0.61 |
CN(CC1=CC=CC=C1)C(=O)C[C@@H]1O[C@H](CNC(C)=O)[C@@H](O)[C@H]1O
|
|
| MolPort-046-153-124 |
0.61 |
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)C2CC=C2[C@@H]4CC(C)(C)CC[C@@]4(CC[C@@]32C)C(O)=O)C1(C)C
|
|
| MolPort-006-668-898 |
0.61 |
COC1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N(C)CC1=CC=CC=C1
|
|
| MolPort-005-952-447 |
0.61 |
CN(C)C1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCCC1
|
|
| MolPort-005-952-196 |
0.61 |
CN(C)C1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCC1
|
|
| MolPort-038-385-574 |
0.61 |
CC1=C(CNC[C@H]2O[C@@H]3C[C@@H](CC(=O)N4CCC(F)(F)C4)O[C@@H]3[C@@H]2O)C=CC=C1
|
|
| MolPort-002-513-908 |
0.61 |
CC(N1C(CC=C)[C@]23O[C@H](C=C2)C([C@H]3C1=O)C(O)=O)C1=CC=CC=C1
|
|
| MolPort-001-747-868 |
0.61 |
O[C@H]1[C@@H](O)[C@H](CC(=O)NCC2=CC=C(F)C=C2)O[C@@H]1CNC(=O)C1=CC=CC(F)=C1
|
|
| MolPort-042-577-661 |
0.61 |
CO[C@]12CCN([C@H]1C[C@H](CC2)OCC1CC1)C(=O)C1=CC(C)=C(C)C=C1
|
|
| MolPort-039-233-585 |
0.61 |
OC1=CC(=CC2=CC=CC=C12)C(=O)NC1CCOC2(CCOC2)C1
|
|
| MolPort-000-837-125 |
0.61 |
CCCC(=O)OC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1NC(C)=O)OC(=O)CCC
|
|
| MolPort-046-596-553 |
0.61 |
CCCC(=O)O[C@@H]1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1NC(C)=O)OC(=O)CCC
|
|
| MolPort-002-529-184 |
0.61 |
CCCC(=O)O[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]2(C)C1NC(C)=O)OC(=O)CCC
|
|
| MolPort-044-540-276 |
0.61 |
CC1OCCC11CN(CCO1)C(=O)C1=CC=C(C=C1)B(O)O
|
|
| MolPort-039-220-034 |
0.61 |
COC1=C(C=CC=C1)C(=O)N1CC[C@@]2(CC[C@@H](C[C@H]12)OCC1CC1)OC
|
|
| MolPort-006-566-468 |
0.61 |
CCOCCOC1CCCN(C1)C(=O)C1=CC=CC=C1
|
|
| MolPort-009-758-282 |
0.61 |
OC(=O)C(O)=O.CC1CCC=C2C[C@H]3OC(=O)C(CN4CCN(CCOCCO)CC4)[C@H]3C(O)[C@]12C
|
|
| MolPort-042-566-816 |
0.61 |
COC1=C(C=CC(C)=C1)C(=O)N1CC[C@@]2(CC[C@@H](C[C@H]12)OCCO)OC
|
|
| MolPort-000-808-796 |
0.61 |
OC(=O)C([O-])=O.CC1CCC=C2C[C@H]3OC(=O)C(C[NH+]4CCN(CCOCCO)CC4)[C@H]3C(O)[C@]12C
|
|
| MolPort-046-596-415 |
0.61 |
CC(CCC(=O)OC1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1NC(C)=O)OC(C)=O)COC(C)=O
|
|
| MolPort-002-529-402 |
0.61 |
C[C@@H](CCC(=O)O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]2(C)C1NC(C)=O)OC(C)=O)COC(C)=O
|
|
| MolPort-005-032-479 |
0.61 |
CC(C)CC(=O)N1CCC2(CCC(CNC(=O)C3=CC=C(C)C=C3)O2)CC1
|
|
| MolPort-005-026-130 |
0.61 |
CC(C)C1=CC=C(CN2CCC3(CCC(CNC(=O)C4=CC=CC=C4)O3)CC2)C=C1
|
|
| MolPort-005-006-308 |
0.61 |
CCC1=CC=C(CN2CCC3(CCC(CNC(=O)C4=CC=CC=C4)O3)CC2)C=C1
|
|
| MolPort-000-836-943 |
0.61 |
CC(CCC(=O)OC1CC2C3CC=C4CC(CCC4(C)C3CCC2(C)C1NC(C)=O)OC(C)=O)COC(C)=O
|
|
| MolPort-046-089-622 |
0.61 |
CCOC1CC(NC2CCN(CC3=CC=CC=C3)CC2)C11CCCO1
|
|
| MolPort-038-424-260 |
0.61 |
COC[C@@H]1[C@H](NC(=O)C2=CC=C(OCCNC(C)=O)C=C2)[C@@H]2CCO[C@H]12
|
|
| MolPort-038-396-748 |
0.61 |
O=C(NC1COC2(C1)CCCCC2)C1=C(C=CC=C1)C#N
|
|
| MolPort-042-571-824 |
0.61 |
CO[C@]12CCN([C@H]1C[C@H](CC2)OCC1CC1)C(=O)C1=CC=C(CC(C)C)C=C1
|
|
| MolPort-006-668-568 |
0.61 |
COC(=O)CNC(=O)CC(C)(O)CC(=O)OC1C(O)CC2(C)C(CCC3=C2CC(O)C2(C)C(CCC32C)C(C)CCC(O)C(C)(C)O)C1(C)C
|
|
| MolPort-038-393-716 |
0.61 |
COC[C@@H]1[C@@H](NC(=O)C2=CC=C(OCCNC(C)=O)C=C2)[C@@H]2CCO[C@H]12
|
|
| MolPort-002-519-403 |
0.61 |
C[C@H](NCC1[C@H]2C=C3[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O)C1=CC=CC=C1
|
|
| MolPort-042-588-271 |
0.61 |
CC1OCCC11CN(CCO1)C(=O)C1=CC=C(Cl)C(Cl)=C1
|
|
| MolPort-028-786-278 |
0.61 |
CCC1=CC=CC(C(=O)NC2CCOC3(CCOC3)C2)=C1O
|
|
| MolPort-027-851-663 |
0.61 |
O[C@@H]1[C@@H](CNC(=O)C2=CC=C(F)C=C2)OC[C@H]1NC1CCCCC1
|
|
| MolPort-046-493-278 |
0.61 |
OC1=C(F)C=CC=C1C(=O)N1CCOC2(CCOC2)C1
|
|
| MolPort-005-949-663 |
0.61 |
CN(C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)C2=CC=C(C)C=C2)[C@@H](O)[C@H]1O
|
|
| MolPort-001-747-881 |
0.61 |
CC1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CC(=O)NCC2=CC=C(F)C=C2)[C@H](O)[C@@H]1O
|
|
| MolPort-038-385-490 |
0.61 |
O[C@@H]1[C@@H](CNCC2=C(Cl)C=CC=C2)O[C@@H]2C[C@@H](CC(=O)N3CCOCC3)O[C@H]12
|
|
| MolPort-005-945-178 |
0.61 |
CC1OC(OC2C(O)C(C)OC(OC3C(O)COC(OC4C(O)C(C)OC(OC[C@H]5O[C@@H](O[C@H]6CC[C@@]7(C)C(CC[C@]8(C)C7CC=C7[C@@H]9CC(C)(C)CC[C@@]9(C(O)C[C@@]87C)C(=O)OC7OCC(O)C(O)C7O)C6(C)C)[C@H](NC(C)=O)[C@@H](O)[C@@H]5O)C4O)C3O)C2O)C(O)C(O)C1O
|
|
| MolPort-021-804-625 |
0.61 |
CC(=O)NC1C(O)C(O)C(CO)OC1OC1C(O)C(O)COC1OC1CCC2(C)C(CCC3(C)C2CC=C2C4CC(C)(C)CCC4(C(O)CC32C)C(=O)OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)C1(C)C
|
|
| MolPort-002-511-826 |
0.61 |
OC(=O)C1C2OC3(CN(CC4=CC=CC=C4)C(=O)[C@@H]13)C=C2
|
|
| MolPort-000-741-629 |
0.61 |
CC1(C2OC3(CN(CC4=CC=CC=C4)C(=O)C13)C=C2)C(O)=O
|
|
| MolPort-002-513-805 |
0.61 |
CC1([C@@H]2O[C@@]3(CN(CC4=CC=CC=C4)C(=O)[C@H]13)C=C2)C(O)=O
|
|
| MolPort-001-751-263 |
0.61 |
CC(=O)C1=CC=C(NC(=O)O[C@@H]2CO[C@@H]3[C@H](CO[C@H]23)NC(=O)C2=CC=CC=C2)C=C1
|
|
| MolPort-001-751-190 |
0.61 |
CC(C)C1=CC=C(NC(=O)O[C@@H]2CO[C@@H]3[C@H](CO[C@H]23)NC(=O)C2=CC=CC=C2)C=C1
|
|
| MolPort-000-148-163 |
0.61 |
OC(=O)C1C2OC3(CN(CC4=CC=CC=C4)C(=O)C13)C=C2
|
|
| MolPort-023-283-518 |
0.61 |
CC12OC3(CN(CC4=CC=CC=C4)C(=O)C3C1C(O)=O)C=C2
|
|
| MolPort-044-344-270 |
0.61 |
COCCOC1CCOC2(CCN(CC2)C(=O)C2=CC(F)=CC=C2)C1
|
|
| MolPort-027-853-503 |
0.61 |
OC[C@H]1OC[C@@H](NC(=O)C2=CC=CC(F)=C2)[C@@H]1O
|
|
| MolPort-002-903-793 |
0.61 |
O=C(N[C@H]1[C@@H](OC(=O)C2=CC=CC=C2)O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H]1OC(=O)C1=CC=CC=C1)C1=CC=CC=C1
|
|
| MolPort-002-903-794 |
0.61 |
O=C(N[C@H]1[C@H](OC(=O)C2=CC=CC=C2)O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](OC(=O)C2=CC=CC=C2)[C@@H]1OC(=O)C1=CC=CC=C1)C1=CC=CC=C1
|
|
| MolPort-045-967-847 |
0.61 |
[Cl-].CC1CC(C)=CC(C)C1C1OCC(C[N+]2(CC3=CC=CC=C3)CCCCC2)O1
|
|
| MolPort-042-571-226 |
0.61 |
CO[C@]12CCN([C@H]1C[C@H](CC2)OCC1CC1)C(=O)C1=C(C)C=CC(F)=C1
|
|
| MolPort-001-747-908 |
0.61 |
CCC(CC)C(=O)NC[C@H]1O[C@@H](CC(=O)N(C)CC2=CC=CC=C2)[C@H](O)[C@@H]1O
|
|
| MolPort-001-747-893 |
0.61 |
CN(CC1=CC=CC=C1)C(=O)C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O
|
|
| MolPort-046-092-837 |
0.61 |
COC1=CC=CC=C1C(=O)N1CCOCC2(CCCC2)C1
|
|
| MolPort-044-440-005 |
0.61 |
CC1(C)CN(CC2(CCCOC2)O1)C(=O)C1=CC=CC=C1OC1CC1
|
|
| MolPort-046-060-157 |
0.61 |
CCCCC1(O)COC2(CN(C2)C(=O)C2=CC(F)=C(C)C=C2)C1
|
|
| MolPort-044-636-494 |
0.61 |
O[C@@H]1[C@@H](CNC2CCCCC2)O[C@@H]2C[C@H](CC(=O)NCC3=CC=C(F)C=C3)O[C@H]12
|
|
| MolPort-003-940-959 |
0.60 |
C[C@H]1[C@H]2[C@H](CC3=CC=CC=C3)NC(=O)[C@]22OC(=O)CC[C@H](O)CCC[C@@H](C)C\C=C\[C@H]2[C@H](O)C1=C
|
|
| MolPort-002-516-493 |
0.60 |
CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)CCCCCCN1C(=O)C2=CC=CC=C2C1=O
|
|
| MolPort-042-563-723 |
0.60 |
CO[C@]12CCN([C@H]1C[C@H](CC2)OCC1CC1)C(=O)C1=CC=C(C=C1)C#N
|
|
| MolPort-046-745-977 |
0.60 |
CCCN1CCC2(CC1)OCC[C@@](C)(NC(=O)C1=CC=C(F)C=C1)[C@@H]2O
|
|
| MolPort-046-622-144 |
0.60 |
CCOCCOC1CCOC2(CCN(CC2)C(=O)C2=CC(C)=CC(C)=C2)C1
|
|
| MolPort-046-622-229 |
0.60 |
CC(C)OCCOC1CCOC2(CCN(CC2)C(=O)C2=CC(C)=CC=C2)C1
|
|
| MolPort-046-065-401 |
0.60 |
OCCOC1(CNC(=O)C2=C(F)C=CC=C2)CCOC1
|
|
| MolPort-030-048-956 |
0.60 |
COC1CCCOC11CCN(CC1)C(=O)C1=CC=C(CN2CCCC2)C=C1
|
|
| MolPort-001-739-734 |
0.60 |
CC1C2C(CC3=CC=CC=C3)NC(=O)C22OC(=O)C\C=C(C)/C(=O)C(C)C\C=C\C2C2OC12C
|
|
| MolPort-046-065-414 |
0.60 |
OCCOC1(CNC(=O)C2=CC=C(Br)C=C2)CCOC1
|
|
| MolPort-046-102-397 |
0.60 |
O=C(C1CCN(CC2=CC=CC=C2)CC1)N1CCOC2(CCCOC2)C1
|
|
| MolPort-046-064-676 |
0.60 |
OCCOC1(CNC(=O)C2=CC=C(C=C2)C#N)CCOC1
|
|
| MolPort-044-369-612 |
0.60 |
CN(CC1(O)CCOC2(CCNCC2)C1)C(=O)C1=CC(C)=CC=C1
|
|
| MolPort-044-344-265 |
0.60 |
COCCOC1CCOC2(CCN(CC2)C(=O)C2=CC(C)=CC=C2)C1
|
|
| MolPort-044-463-116 |
0.60 |
COCC1=CC=CC=C1C(=O)N1CCOC2(CCCOC2)C1
|
|
| MolPort-005-952-164 |
0.60 |
CN(C)CCN(C)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1=CC=CC(F)=C1
|
|
| MolPort-040-694-134 |
0.60 |
CNC1=CC=CC=C1C(=O)N1CC(C)OC2(CCCOC2)C1
|
|
| MolPort-044-636-491 |
0.60 |
CC1=C(CNC[C@H]2O[C@@H]3C[C@H](CC(=O)NCC4=CC=C(F)C=C4)O[C@@H]3[C@@H]2O)C=CC=C1
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| MolPort-046-689-211 |
0.60 |
CCCCC(=O)O[C@H]1[C@@H]2[C@@]3(CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@H](OC(C)=O)C2=C(C)[C@H](C[C@]1(O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1)OC(C)=O
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| MolPort-002-652-740 |
0.60 |
COC(=O)C1C2OC3(CN(CC4=CC=C(F)C=C4)C(=O)C13)C=C2
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| MolPort-042-415-986 |
0.60 |
CC1=CC(=CC(=C1)C(=O)NC1CCOC2(CCOC2)C1)C(O)=O
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| MolPort-042-564-480 |
0.60 |
CO[C@]12CCN([C@H]1C[C@@H](CC2)OCC1CC1)C(=O)C1=CC(=CC=C1)C(C)=O
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0.60 |
CN(C)C(=O)COC1CCOC2(CCN(CC2)C(=O)C2=CC(C)=CC(C)=C2)C1
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0.60 |
CC1=C(C)C=C(C=C1)C(=O)N1CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1
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CC(C)(O)CCC1=CC=C(C=C1)C(=O)NC1COC2(CCCC2)C1
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CC(C)CC(=O)N1CCC2(CCC(CNC(=O)C3=CC(C)=CC=C3)O2)CC1
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FC(F)(F)C1=C(CN2CCC3(CCC(CNC(=O)C4=CC=CC=C4)O3)CC2)C=CC=C1
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OCCOC1(CNC(=O)C2=CC(Cl)=CC=C2)CCOC1
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OC1=C(C=CC=C1F)C(=O)NC1CCCOC11CCNCC1
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CO[C@]12CCN([C@H]1C[C@H](CC2)OCCO)C(=O)C1=C(C)C=C(Cl)C=C1
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CN(C)C1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CC(=O)N2CCCC2)[C@H](O)[C@@H]1O
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COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNCC3=C(OC(F)(F)F)C=CC=C3)[C@@H](O)[C@H]2O1
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OC(=O)C1C2OC3(CN(CC4=CC=CC5=CC=CC=C45)C(=O)C13)C=C2
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0.60 |
CC(=O)N([C@H]1[C@@H](OCC2=CC=CC=C2)O[C@@H]2COC(O[C@H]2[C@@H]1OC(=O)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)C1=CC=CC=C1
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CC(=O)OCC1OC(F)C(C(OC(C)=O)C1OC(C)=O)N1C(=O)C2=C(C=CC=C2)C1=O
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0.60 |
CN(CCC1=CC=CC=C1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1=CC=CC(F)=C1
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0.60 |
CC(=O)OCC1OC(OC(C)=O)C(NC(=O)C2=CC=C(OC(C)=O)C=C2)C(OC(C)=O)C1OC(C)=O
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COC1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]1O
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CC(C)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)NCC3=CC=C(F)C=C3)O[C@@H]2[C@@H]1O
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|
| MolPort-005-949-725 |
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CN(C)C1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CC(=O)N(C)CC2=CC=CC=C2)[C@H](O)[C@@H]1O
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CO[C@@H]1COCC[C@H]1NC(=O)C1=CC=C(CN2CCCCC2)C=C1
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COC1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCOCC1
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0.60 |
CN(C)CCN(C)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1=CC=C(C=C1)C(F)(F)F
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ClC1=CC=CC=C1C(=O)N1CC2(CCC2)C2COCC12
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COC1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCC1
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CCO[C@H]1COC[C@@H]1NC(=O)C1=CC=C(CN2CCCCC2)C=C1
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OC(CNC(=O)C1=C(C=CC=C1)C(O)=O)COCC1CCC=CC1
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COC1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCCC1
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COC[C@H]1[C@@H](NC(=O)C2=CC(C)=CC=C2)[C@@H]2CCO[C@H]12
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COC[C@@H]1[C@@H](NC(=O)C2=CC=C(CN3CCCCC3)C=C2)[C@@H]2CCO[C@H]12
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COC1=CC=C(C=C1)C(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCC(C)CC1
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CC1=C(C=C(F)C=C1)C(=O)N[C@]1(C)CCOC2(CCNCC2)[C@H]1O
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CC(N1CC23OC(C=C2)C(C3C1=O)C(O)=O)C1=CC=CC=C1
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CC(N1C[C@]23O[C@H](C=C2)C([C@H]3C1=O)C(O)=O)C1=CC=CC=C1
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OC(=O)C1=CC=C(C=C1)C(=O)NCC1CCC2(CCCC2)O1
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OC1=CC=CC(=C1)C(=O)NC1CCCOC11CCNCC1
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CC1CCC=C2C[C@H]3OC(=O)C(CN4CCC(CC4)C(=O)C4=CC=CC=C4)[C@H]3C(O)[C@]12C
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CN(CCC1=CC=CC=C1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1=CC=C(C=C1)C(F)(F)F
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CO[C@]12CCN([C@H]1C[C@@H](CC2)OCC1CC1)C(=O)C1=C(F)C=CC=C1F
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CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)C1=C(C=CC=C1)C(F)(F)F
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OCCOC1(CNC(=O)C2=CC=CC3=CC=CC=C23)CCCC1
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CN1CCN(CC1)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)C1=CC=CC(F)=C1
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CC1=CC=C(CN2CCC3(CCC(CNC(=O)C4=CC=CC=C4)O3)CC2)C=C1C
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CO[C@]12CCN([C@H]1C[C@H](CC2)OCCO)C(=O)C1=CC(C)=C(Cl)C=C1
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OC(=O)CC1=CC=CC(=C1)C(=O)NC1CCOC11CCCCC1
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CO[C@]12CCN([C@H]1C[C@H](CC2)OCC1CC1)C(=O)C1=CC=C(Cl)C=C1
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COC1=CC=CC(=C1)C(=O)N1CC[C@@]2(CC[C@H](C[C@H]12)OCCO)OC
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COC1=CC=CC(=C1)C(=O)N1CC[C@@]2(CC[C@@H](C[C@H]12)OCCO)OC
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COCCOCC(=O)N1CCC2(CC1)CC(CCO2)N(C)CC1=CC=CC=C1
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CC(CCC(=O)OC1CC2C3CC=C4CC(CC[C@]4(C)C3CC[C@]2(C)C1NC(C)=O)OC(C)=O)CNC(C)=O
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C[C@@H](CCC(=O)O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1NC(C)=O)OC(C)=O)CNC(C)=O
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CN1CCN(CC2=CC=C(C=C2)C(=O)N2CCOC3(CCOC3)C2)CC1
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N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)C(=O)C1C=CC=C(OC)C=1
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CC1C2(OC(C)CN(C(C3=C(N)C(C)=CC=C3)=O)C2)CCO1
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CN1CCN(CC2=CC=C(C(N3CC4(COCC4)OCC3)=O)C=C2)CC1
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0.60 |
C(=O)(C1C=CC=C(O)C=1)NC1CCCOC21CCNCC2
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0.60 |
C(=O)(NCC1(CCCC1)OCCO)C1C=CC=C2C=CC=CC=12
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0.60 |
C(C1C=CC=CC=1)(=O)NCC1CCC2(CCN(CC2)CC2C=CC(=C(C)C=2)C)O1
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0.60 |
[C@]12(C)CC[C@]3([C@@]([H])(CC=C4C[C@@H](CC[C@]34C)OC(C)=O)[C@]1([H])C[C@H](OC(CC[C@H](C)CNC(C)=O)=O)[C@@H]2NC(C)=O)[H]
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C(=O)(C1C(=CC=CC=1F)F)N1CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12
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N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)C(=O)C1C=CC(=C(C)C=1)Cl
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OC(C1=CC=C(C(NCC2OC3(CCCC3)CC2)=O)C=C1)=O
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N1(CCC2(CC1)OCCC(C2)N(C)CC1=CC=CC=C1)C(COCCOC)=O
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| MCULE-3803423071 |
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C(=O)(N[C@@H]1CCOC[C@H]1OCCN(C)C)C1C=CC=CC=1C(F)(F)F
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0.60 |
N1(CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12)C(=O)C1C=CC(=CC=1)Cl
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0.60 |
C12C(C(OCCC)=O)C3OC1(C=C3)CN(C(C1=CC=CC=C1)C1=CC=CC=C1)C2=O
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0.60 |
C12C(C(=O)OCC(C)C)C3OC1(C=C3)CN(C(C1C=CC=CC=1)C1C=CC=CC=1)C2=O
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| MCULE-2331378907 |
0.60 |
C12C(C(OCCCC)=O)C3OC1(C=C3)CN(C(C1=CC=CC=C1)C1=CC=CC=C1)C2=O
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|
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0.60 |
C12C(C(OCC)=O)C3OC1(C=C3)CN(C(C1=CC=CC=C1)C1=CC=CC=C1)C2=O
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|
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0.60 |
C12C(C(OC)=O)C3OC1(C=C3)CN(C(C1=CC=CC=C1)C1=CC=CC=C1)C2=O
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|
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0.60 |
CC(OCC1C(OC(C)=O)C(OC(C)=O)C(NC(C2=C(OC(C)=O)C=CC=C2)=O)C(OC(C)=O)O1)=O
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0.60 |
C12C(C3OC1(C=C3)CN(C(C1=CC=CC=C1)C1C=CC=CC=1)C2=O)C(=O)OC(C)C
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| MCULE-5132691335 |
0.60 |
[C@H]1([C@H]2OC[C@@H](OC(NC3C=CC=CC=3)=O)[C@H]2OC1)NC(=O)C1C=CC(C(F)(F)F)=CC=1
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|
| MCULE-1092209820 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(CC1C=CC(=CC=1)C)C2=O
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|
| MCULE-5530342399 |
0.60 |
[C@H]1([C@H]2OC[C@@H](OC(NC3=CC=C(C=C3)C(=O)C)=O)[C@H]2OC1)NC(=O)C1C=CC(C)=CC=1
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| MCULE-9047173664 |
0.60 |
C12C(C(O)=O)C3(OC1(C=C3)CN(CC1C=CC(=CC=1)C)C2=O)C
|
|
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0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)N2CCOCC2)[C@@H]1O)CC1=CC=CC=C1OC(F)(F)F
|
|
| MCULE-9281623916 |
0.60 |
C1=C(C(NC[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O2)CC(=O)NCCN2CCOCC2)=O)C=CC(=C1)C
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|
| MCULE-9768986297 |
0.60 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)N1CCOCC1)CNC(=O)C1=CC=C(OC)C=C1
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|
| MCULE-9627263763 |
0.60 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NCC1C=CC(OC)=CC=1)CNC(=O)C1C=CC=CC=1
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|
| MCULE-1470917469 |
0.60 |
COC1(C2=CC=C(C(N3CC(C4CCC4)COCC3)=O)C=C2)COC1
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|
| MCULE-5315564835 |
0.60 |
N1(CC2(C1)CC(CO2)(CCCC)O)C(=O)C1=CC=CC=C1OCC
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| MCULE-8544817327 |
0.60 |
N([C@H]1CO[C@H]([C@@H]1O)CN1CCC[C@@H]1COC)C(C1=CC=CC(=C1)F)=O
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|
| MCULE-9823114817 |
0.60 |
N1(CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12)C(=O)C1=CC=C(C=C1C)F
|
|
| MCULE-1877264494 |
0.60 |
N1(CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12)C(=O)C1C=CC=CC=1C#N
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| MCULE-6592559942 |
0.60 |
CC1C=C(C(=O)O)C=C(C(N2CC3(COCC3)OCC2)=O)C=1
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|
| MCULE-5787327770 |
0.60 |
C1(C=C(F)C=CC=1F)C(=O)NC1COC2(CCCCC2)C1
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|
| MCULE-5137943022 |
0.60 |
OC1C(C2N(C(C3=CC=C(C4CCC4)C=C3)=O)CCOC2)CCC1
|
|
| MCULE-2720973142 |
0.60 |
C(=O)(C1C=CC=C(F)C=1)NCC1CCC2(CCN(CC2)CC2C=CC3C(=CC=CC=3)C=2)O1
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|
| MCULE-6048718619 |
0.60 |
OC1=C2C(C=CC=C2)=CC=C1C(N1C(C2OCCC2)CCC1)=O
|
|
| MCULE-1929666798 |
0.60 |
C(=O)(C1=CC=CC(CN2CCCCCC2)=C1)N[C@@H]1CCOC[C@H]1OC
|
|
| MCULE-9359156220 |
0.60 |
C(=O)(C1C=CC(=CC=1)F)N1CCC2(CC1)CC(OCCOC)CCO2
|
|
| MCULE-8344570892 |
0.60 |
[C@H]1(NC(=O)C2=CC=C(C=C2)C2C=CC=CC=2)[C@@H]2CCO[C@@H]2[C@H]1COC
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|
| MCULE-3517376715 |
0.60 |
C(=O)(C1=CC=C(C2=CC=CC=C2)C=C1)NC1CCC2OCCOC2C1
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|
| MCULE-3825437486 |
0.60 |
C(=O)(C1C=CC=C(F)C=1)NCC1CCC2(CCN(CC2)CC2=CC=CC3=CC=CC=C23)O1
|
|
| MCULE-1934684564 |
0.60 |
N([C@H]1CO[C@H]([C@@H]1O)CN1CCC(CC1)(F)F)C(C1C=CC=CC=1)=O
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|
| MCULE-7424913435 |
0.60 |
C(C1=CC=CC=C1)(=O)N1CCC2(CC1)OCCC(C2)N1CCOCC1
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|
| MCULE-2102220138 |
0.60 |
C(=O)(C1=CC=C(C=C1)CN1CCCCC1)NCC1CC2(CO1)CCNCC2
|
|
| MCULE-8693082027 |
0.60 |
CCCN(C(C1=CC=C(C(NC[C@@H]2O[C@H](CO)CC2)=O)C=C1)=O)CC
|
|
| MCULE-7750871375 |
0.60 |
O=C(C1=CC(=C(OC)C(OC)=C1)OC)N[C@@H]1[C@H]2OC[C@H]([C@H]2OC1)O
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|
| MCULE-9477024142 |
0.60 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NCC#C)CNC(=O)C1C=C(F)C=CC=1
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|
| MCULE-5082494768 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NC(C)C)[C@@H]1O)CC1=CC=CC=C1Cl
|
|
| MCULE-7368383742 |
0.60 |
C(=O)(N[C@]1(C)CCOC2(CCN(CC2)CC(O)=O)[C@H]1O)C1C=CC=CC=1F
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|
| MCULE-3090667128 |
0.60 |
CC(C1=CC(O)=C(C(NCC2OC3(CCOCC3)CC2)=O)C=C1)C
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|
| MCULE-2189414568 |
0.60 |
COC1=C(C(NC2CC(C3CC3)OC2)=O)C(O)=CC=C1
|
|
| MCULE-1431764380 |
0.60 |
C(=O)(C1C=CC(=C(F)C=1)F)N1CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1
|
|
| MCULE-6088535420 |
0.60 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)N(C)CC1C=CC=CC=1)CNC(=O)COC
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|
| MCULE-3242433803 |
0.60 |
N1(CCC2(CC1)CCC(CNC(=O)C1=CC=C(C=C1)C(C)=O)O2)C(=O)CC(C)C
|
|
| MCULE-5279877733 |
0.60 |
OC(=O)C1C=CC(=CC=1)CN[C@@H]1CO[C@H](CNC(=O)C2C=CC=CC=2)[C@H]1O
|
|
| MCULE-9612350532 |
0.60 |
OC(=O)C1C=CC(=CC=1)CN[C@@H]1CO[C@H](CNC(=O)C)[C@H]1O
|
|
| MCULE-4434399327 |
0.60 |
[C@@]1(C)(CCOC2(CCN(CC2)CC(N)=O)[C@H]1O)NC(C1=CC=CC=C1)=O
|
|
| MCULE-9189462945 |
0.60 |
N1(CC[C@]2(OC)CC[C@@H](O)C[C@H]12)C(=O)C1C=CC=CC=1C
|
|
| MCULE-3015410156 |
0.60 |
[N+]12(C)CCC(C(OCCCNC(C3C=CC=CC=3)=O)C1)CC2
|
|
| MCULE-2219011649 |
0.60 |
N1(CCOC2CCCCC12)C(C1C=CC=CC=1)=O
|
|
| MCULE-8558673962 |
0.60 |
N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)C(=O)C1C=CC(=CC=1OC)OC
|
|
| MCULE-8909874848 |
0.60 |
C1(C=CC(=CC=1O)F)C(=O)NC1CCCOC21CCNCC2
|
|
| MCULE-4338822906 |
0.60 |
N(C)(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NCC2=CC=C(F)C=C2)[C@@H]1O)C
|
|
| MCULE-8570002623 |
0.60 |
C1(=CC=C(C=C1O)Cl)C(=O)NC1COC2(CCCC2)C1
|
|
| MCULE-3930801284 |
0.60 |
CCCCOC(C12N(C(C3=CC=CC=C3)=O)CC3(C)C(CCC13C)C2)=O
|
|
| MCULE-6287911061 |
0.60 |
N([C@@H]1CO[C@@H]([C@H]1O)CNC(C1=CC=C(F)C=C1)=O)C1CCOCC1
|
|
| MCULE-8879707805 |
0.60 |
CC1=C(F)C(C)=CC(C(N2C(C3C(O)CCC3)COCC2)=O)=C1
|
|
| MCULE-3874612924 |
0.60 |
CC1=C(F)C=CC(C(N2C(C3C(O)CCC3)COCC2)=O)=C1
|
|
| MCULE-1066296653 |
0.60 |
N1(CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12)C(=O)C1C=CC(=C(C)C=1)F
|
|
| MCULE-4316349654 |
0.60 |
C(C1CCOCC1)(=O)NCC1CCC2(CCN(CC2)CC2=CC=CC3=CC=CC=C23)O1
|
|
| MCULE-5041967028 |
0.60 |
CCOC1C(OC)C(NC(C2C=CC(C(=O)O)=CC=2)=O)C1
|
|
| MCULE-7477239433 |
0.60 |
C(=O)(C1C=CC(=CC=1)C(C)(C)C)NC1CCC2OCCOC2C1
|
|
| MCULE-4037179610 |
0.60 |
[C@H]1(NC(=O)C2C=CC(=CC=2)C(C)C)[C@@H]2CCO[C@@H]2[C@H]1COC
|
|
| MCULE-1851379505 |
0.60 |
C(=O)(C1C=CC=C2C=CC=CC=12)N1C2COCC1CC2
|
|
| MCULE-1782528815 |
0.60 |
CCCOC1(CCCCC1)CNC(C1C=CC(CN)=CC=1)=O
|
|
| MCULE-2593384300 |
0.60 |
[C@H]1([C@H]2OC[C@@H](OC(NC3C4=CC=CC=C4C=CC=3)=O)[C@H]2OC1)NC(=O)C1C=CC(C(F)(F)F)=CC=1
|
|
| MCULE-7338946084 |
0.60 |
CC(OCC1C(OC(C)=O)C(OC(C)=O)C(NC(C2=C(Cl)C=C(Cl)C=C2)=O)C(OC(C)=O)O1)=O
|
|
| MCULE-4740700896 |
0.60 |
COC(COC1C(OC(C)=O)C(COC(C)=O)OC(OC(C)=O)C1NC(C1=CC=C(N(=O)=O)C=C1)=O)=O
|
|
| MCULE-4912656274 |
0.60 |
O(C(=O)C)C1C(C(C(NC(C2C=CC=CC=2)=O)(C(OC)=O)OC1)OC(=O)C)OC(=O)C
|
|
| MCULE-2846912159 |
0.60 |
O1C(=O)CC[C@H](O)CCC[C@@H](C)CC=C[C@@]2([H])[C@H](O)C(=C)[C@@H](C)[C@@]3([H])[C@@H](NC(=O)[C@@]123)CC1C=CC=CC=1
|
|
| MCULE-3796561974 |
0.60 |
C1(C)C2(C)OC2C2C3(OC(CC=C(C)C(=O)C(CC=C2)C)=O)C1C(NC3=O)CC1C=CC=CC=1
|
|
| MCULE-7815171045 |
0.60 |
C(=O)(N1CCC2(CC1)CC(OCCOCC)CCO2)C1=CC(C)=CC(C)=C1
|
|
| MCULE-5615748758 |
0.60 |
C(=O)(C1=CC=C(C=C1)CN1CCCC1)N1CCC2(CC1)C(CCCO2)OC
|
|
| MCULE-8823024573 |
0.60 |
C(=O)(C1C=CC=C(C)C=1)N1CCC2(CC1)CC(OCCOC)CCO2
|
|
| MCULE-7360056788 |
0.60 |
C(=O)(C1C=CC=C(C)C=1)N1CCC2(CC1)CC(OCCOC(C)C)CCO2
|
|
| MCULE-2238731966 |
0.60 |
C(=O)(C1=CC=C(C=C1)Br)NCC1(COCC1)OCCO
|
|
| MCULE-1625447683 |
0.60 |
N1(CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12)C(=O)C1C=CC(=CC=1)C#N
|
|
| MCULE-9030582624 |
0.60 |
C(=O)(C1C=CC(=CC=1)C#N)NCC1(COCC1)OCCO
|
|
| MCULE-1628851025 |
0.60 |
[C@@]1(C)(CCOC2(CCN(CC2)CCC)[C@H]1O)NC(=O)C1C=CC(=CC=1)F
|
|
| MCULE-9027307533 |
0.60 |
O=C(N1CC2(COCCC2)OCC1)C1CCN(CC2=CC=CC=C2)CC1
|
|
| MCULE-4747792569 |
0.60 |
C1(=CC=CC=C1F)C(=O)NCC1(COCC1)OCCO
|
|
| MCULE-4892406263 |
0.60 |
OC1(C2=CC=C(C(N3CCC4(CCOCC4)OCC3)=O)C=C2)COC1
|
|
| MCULE-2861275617 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@H](C2)CC(=O)NCC2=CC=C(F)C=C2)[C@@H]1O)CC1=CC=CC=C1C
|
|
| MCULE-1690669606 |
0.60 |
COCC1=C(C(N2CC3(COCCC3)OCC2)=O)C=CC=C1
|
|
| MCULE-1115270193 |
0.60 |
CNC1=C(C(N2CC3(COCCC3)OC(C)C2)=O)C=CC=C1
|
|
| MCULE-3956404853 |
0.60 |
C12C(C(=O)OC)C3C(O1)(CN(CC1C=CC(F)=CC=1)C3=O)C=C2
|
|
| MCULE-8096190689 |
0.60 |
CC1(NC(C2=CC3=C(C=CC=C3O)C=C2)=O)C(C2CC2)OCC1
|
|
| MCULE-2564454187 |
0.60 |
C(=O)(N1CCC2(CC1)CC(CCO2)OCC(=O)N(C)C)C1=CC(C)=CC(C)=C1
|
|
| MCULE-5296750935 |
0.60 |
N1(CCC2(CC1)CCC(CNC(=O)C1C=CC=C(C)C=1)O2)C(=O)CC(C)C
|
|
| MCULE-5906599767 |
0.60 |
C(F)(F)(F)C1=CC=CC=C1CN1CCC2(CC1)CCC(CNC(C1C=CC=CC=1)=O)O2
|
|
| MCULE-9867074886 |
0.60 |
OC(C1C=CC=C(C(NC2CC3(COCC3)OCC2)=O)C=1)=O
|
|
| MCULE-8915217409 |
0.60 |
C(=O)(C1C=CC(=C(C)C=1)C)N1CCC2(CC1)CC(CCO2)OCC(=O)N1CCCC1
|
|
| MCULE-9570321516 |
0.60 |
N1(CC[C@]2(OC)CC[C@@H](OCC3CC3)C[C@H]12)C(=O)C1C=CC=C(C(C)=O)C=1
|
|
| MCULE-2851790699 |
0.60 |
CC1C=C(C(=O)O)C=C(C(NC2CC3(COCC3)OCC2)=O)C=1
|
|
| MCULE-8471143937 |
0.60 |
C(=O)(C1C=CC=C(Cl)C=1)NCC1(COCC1)OCCO
|
|
| MCULE-6183678057 |
0.60 |
C(=O)(C1C=CC(=CC=1)CCC(C)(C)O)NC1COC2(CCCC2)C1
|
|
| MCULE-4000642428 |
0.60 |
C1(C=CC=C(F)C=1O)C(=O)NC1CCCOC21CCNCC2
|
|
| MCULE-2709573865 |
0.60 |
N1(CC[C@]2(OC)CC[C@H](OCCO)C[C@H]12)C(=O)C1C=CC(=CC=1C)Cl
|
|
| MCULE-1260980685 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NCC2=CC=C(F)C=C2)[C@@H]1O)C(C)C
|
|
| MCULE-1327471676 |
0.60 |
[C@H]1(O[C@H](CNC(=O)C2C=CC(N(C)C)=CC=2)[C@H]([C@H]1O)O)CC(=O)N1CCCC1
|
|
| MCULE-9566771093 |
0.60 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)N(C)CC1C=CC=CC=1)CNC(=O)C1C=CC(=CC=1)N(C)C
|
|
| MCULE-6368347821 |
0.60 |
O[C@@H]1[C@H](O)[C@H](O[C@H]1CC(=O)NC(C)C)CNC(=O)C1=CC=C(OC)C=C1
|
|
| MCULE-1594039643 |
0.60 |
N(C[C@H]1O[C@H]2[C@H](O[C@@H](C2)CC(=O)NCCOC)[C@@H]1O)CC1=CC=CC=C1OC(F)(F)F
|
|
| MCULE-9133712285 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(CC1C=CC=C3C=CC=CC=13)C2=O
|
|
| MCULE-3192754828 |
0.60 |
[C@@H]1([C@@H](OCC2C=CC=CC=2)O[C@H]2[C@@H](OC(OC2)C2C=CC=CC=2)[C@@H]1OC(C1C=CC=CC=1)=O)N(C(C)=O)C(C1C=CC=CC=1)=O
|
|
| MCULE-2624768733 |
0.60 |
CC(OCC1C(OC(C)=O)C(OC(C)=O)C(NC(C2=CC=C(OC(C)=O)C=C2)=O)C(OC(C)=O)O1)=O
|
|
| MCULE-6404050175 |
0.60 |
[C@H]1(NC(=O)C2C=CC=C(C)C=2)[C@@H]2CCO[C@@H]2[C@H]1COC
|
|
| MCULE-2631613083 |
0.60 |
[C@H]1(NC(=O)C2=CC=C(C=C2)CN2CCCCC2)[C@@H]2CCO[C@@H]2[C@@H]1COC
|
|
| MCULE-4824733333 |
0.60 |
C(=O)(C1=CC=C(C=C1)CN1CCCCC1)N[C@H]1COC[C@@H]1OCC
|
|
| MCULE-9939913949 |
0.60 |
C(=O)(C1=CC=C(C=C1)CN1CCCCC1)N[C@@H]1CCOC[C@H]1OC
|
|
| MCULE-6649212963 |
0.60 |
C1(C=CC=CC=1C(O)=O)C(=O)NCC(COCC1CCC=CC1)O
|
|
| MCULE-6781865783 |
0.60 |
ClC1=C(C(N2C3C(COC3)C3(CCC3)C2)=O)C=CC=C1
|
|
| MCULE-2587002040 |
0.60 |
OC1(C2=CC=C(C(NCC3OC4(CCOCC4)CC3)=O)C=C2)COC1
|
|
| MCULE-9832137457 |
0.60 |
C12C(C(O)=O)C3OC1(C=C3)CN(C(C)C1C=CC=CC=1)C2=O
|
|
| MCULE-7142697020 |
0.60 |
N1(CC[C@]2(OC)CC[C@@H](OCCO)C[C@H]12)C(=O)C1C=CC=C(OC)C=1
|
|
| MCULE-4244361860 |
0.60 |
OC(CC1=CC(C(NC2C3(CCCCC3)OCC2)=O)=CC=C1)=O
|
|
| MCULE-1558144764 |
0.60 |
CC1N(CC2=CC=CC=C2)CC2(OCC(O)C2)C1
|
|
