| MCULE-2781396929 |
0.74 |
CC1(C(CC2CC=CCC2)O)CNC1
|
|
| MCULE-4449136900 |
0.74 |
OC(C1CNC1)CC1CC=CCC1
|
|
| MCULE-5029862705 |
0.73 |
OCCC(C1CC1)NCC1C2C=CC(C2)C1
|
|
| MolPort-027-904-854 |
0.73 |
OCCC(NCC1CC2CC1C=C2)C1CC1
|
|
| MolPort-002-537-790 |
0.72 |
CC(C12CC3CC(CC(C3)C1)C2)[N+](C)(C)C.CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C([O-])=O)C2CC1
|
|
| MCULE-3488756898 |
0.72 |
CC1(C(NCC2CC=CCC2)CCC1)CO
|
|
| MCULE-3126707364 |
0.72 |
OC(C1CCCCCC=1)C1CNC1
|
|
| MCULE-3553257063 |
0.72 |
CC1(C(C2CCCCCC=2)O)CNC1
|
|
| MolPort-027-918-935 |
0.72 |
CC1(CO)CCCC1NCC1CCC=CC1
|
|
| MCULE-3786557678 |
0.71 |
OC1CCC(NCC2C3C=CC(C3)C2)CC1
|
|
| MolPort-028-901-558 |
0.70 |
OC[C@H]1CC[C@@H](CC1)NCC1CCC=CC1
|
|
| MolPort-044-233-001 |
0.70 |
CN(CCCO)C[C@@H]1C[C@H]2CC[C@@H]1C=C2
|
|
| MolPort-030-179-934 |
0.70 |
OCC1CCCN(CC2CC3CC2C=C3)C1
|
|
| MCULE-9348023669 |
0.70 |
CC1(C(C2CCCCC=2)O)CNC1
|
|
| MCULE-3512540675 |
0.70 |
CN(C[C@H]1[C@H]2C=C[C@H](CC2)C1)CCCO
|
|
| MCULE-3248047238 |
0.70 |
OC(C1CCCCC=1)C1CNC1
|
|
| MCULE-1383227949 |
0.70 |
OC(C1CCCCCCC=1)C1CNC1
|
|
| MCULE-1392709432 |
0.70 |
N1(CCCC(CO)C1)CC1CC2CC1C=C2
|
|
| MCULE-4512864157 |
0.69 |
CC(C1(CCCC1)O)(CNC1[C@@H]2[C@@H](C=CC2)C1)C
|
|
| MCULE-8997001295 |
0.69 |
OC1(C2CNC2)C2C=CC(C2)C1
|
|
| MCULE-8079117081 |
0.69 |
OC1C(NCC2C3C=CC(C3)C2)CCCC1
|
|
| MolPort-044-605-337 |
0.68 |
CC(NCCCO)C1CCC(C)=C(C)C1
|
|
| MCULE-5464908289 |
0.68 |
CC(C1CC(C)=C(C)CC1)NCCCO
|
|
| MCULE-8576481300 |
0.68 |
C1(CC2CC1C=C2)CN1CCC(CC1)O
|
|
| MCULE-4041046509 |
0.68 |
OCC1(CCC1)CNC1[C@@H]2[C@@H](C=CC2)C1
|
|
| MCULE-7431755401 |
0.68 |
CN(CC(CO)(CO)C)CC1C2C=CC(C2)C1
|
|
| MCULE-5373774063 |
0.68 |
CNC1([C@@H]2C=C[C@@H](C2)C1)CO
|
|
| MCULE-3379109654 |
0.68 |
CNC1(C2C=CC(C2)C1)CO
|
|
| MCULE-9438253270 |
0.68 |
O[C@H]1[C@H](CNC2[C@@H]3C=C[C@@H](CC3)C2)CCCC1
|
|
| MolPort-002-149-534 |
0.68 |
OC1CCN(CC2CC3CC2C=C3)CC1
|
|
| MolPort-035-845-246 |
0.68 |
CN(CC1CC2CC1C=C2)CC(C)(CO)CO
|
|
| MolPort-037-966-357 |
0.67 |
NCC1(CO)CC2CC1C=C2
|
|
| MCULE-8965676491 |
0.67 |
CNC[C@H]1[C@H]2C=C[C@H](CC2)C1
|
|
| MCULE-7612238737 |
0.67 |
CN(CC1C2C=CC(CC2)C1)C
|
|
| MCULE-8088989626 |
0.67 |
OC1CCC(NCC2CC=CCC2)CC1
|
|
| MCULE-3431041907 |
0.67 |
OC1(CCCCC1)CNCC1CC=CCC1
|
|
| MCULE-6719375253 |
0.67 |
OC(C1CCCCCC=1)C1CNCC1
|
|
| MCULE-2129113675 |
0.67 |
[C@@H]1(CCCC[C@H]1O)CNC(C)CC/C=C(/C)\C
|
|
| MolPort-045-905-474 |
0.67 |
CC(CCC=C(C)C)NC[C@H]1CCCC[C@H]1O
|
|
| MCULE-2837230297 |
0.66 |
CC(NC1[C@@H]2[C@@H](C=CC2)C1)CC(O)(C)C
|
|
| MCULE-4430619720 |
0.66 |
OC(C1CNCC1)CC1CC=CCC1
|
|
| MCULE-2501481360 |
0.66 |
C12(C)CCCC(C)(N)C1CC=C1C=C(C(C)C)CCC12
|
|
| MCULE-7826665580 |
0.66 |
C1(C)(CC2CC1C=C2)C[N+](C)(C)C
|
|
| MCULE-1365984278 |
0.66 |
CCNC(C1(C2C=CC(C2)C1)O)C
|
|
| MCULE-5119172128 |
0.66 |
CC1NCCC(C2CCCCC=2)(O)C1
|
|
| MCULE-4873788872 |
0.66 |
CC(CC(NCC1C2C=CC(C2)C1)CO)C
|
|
| MCULE-1203403084 |
0.66 |
N#CCNCC1C2C=CC(CC2)C1
|
|
| MCULE-7522217962 |
0.66 |
OC1C(CC2CC=CCC2)CNCC1
|
|
| MCULE-2941758496 |
0.66 |
CN(CC1C2C=CC(CC2)C1)CC#N
|
|
| MolPort-002-560-863 |
0.65 |
CC1CC(C)=CC(C)C1C[N+](C)(C)C
|
|
| MolPort-000-742-511 |
0.65 |
CNCC1C(C)CC(C)=CC1C
|
|
| MolPort-002-944-038 |
0.65 |
CC1CC(C)=CC(C)C1CN(C)C
|
|
| MolPort-002-727-452 |
0.65 |
CC1C[N+](C)(C)C(C)CC1(O)\C=C\C1(O)CCCCC1
|
|
| MolPort-002-726-822 |
0.65 |
CC1CC(O)(\C=C\C2(O)CCCCC2)C(C)CN1C
|
|
| MCULE-5552156140 |
0.65 |
OC(C1CCCCC=1)C1CNCC1
|
|
| MCULE-9558990518 |
0.65 |
CC(C(C1(CC1)CNC1[C@@H]2[C@@H](C=CC2)C1)O)C
|
|
| MCULE-1902375177 |
0.65 |
CC1(C(CC2CCCC=2)O)CNC1
|
|
| MCULE-3596494094 |
0.65 |
C1(C)(CC2CC1C=C2)C[N+](C)(C)C.[I-]
|
|
| MCULE-3931607267 |
0.65 |
OC1C(NCC2C3C=CC(C3)C2)CCC1
|
|
| MCULE-5927927901 |
0.65 |
OC[C@@H]1CC[C@H](NC2[C@@H]3C=C[C@@H](CC3)C2)CC1
|
|
| MCULE-9166871980 |
0.65 |
CC(C(CNC1[C@@H]2C=C[C@@H](CC2)C1)CO)C
|
|
| MCULE-9400998227 |
0.65 |
NC1(CC=CCC1)CC1(CCCC1)O
|
|
| MCULE-4107589111 |
0.65 |
NC1(C2C(O)CCC2)CC=CCC1
|
|
| MCULE-7594782797 |
0.65 |
CC1(C(C2(CC=CCC2)N)CCC1)O
|
|
| MCULE-7755497057 |
0.65 |
C1C(C)C(CNC)C(CC=1C)C
|
|
| MCULE-5388293696 |
0.65 |
C1(CN(C)C)C(C)CC(=CC1C)C
|
|
| MCULE-6208530890 |
0.65 |
CC1C(C(C2CCCCC=2)O)CCN1
|
|
| MCULE-6064501527 |
0.65 |
CC1(C(C2CCCCC=2)O)CNCC1
|
|
| MCULE-3154125409 |
0.65 |
C1(O)(C=CC2(CCCCC2)O)C(C)CN(C(C)C1)C
|
|
| MolPort-009-767-177 |
0.65 |
[I-].CC1(C[N+](C)(C)C)CC2CC1C=C2
|
|
| MolPort-027-904-850 |
0.65 |
OC1CCCC1NCC1CC2CC1C=C2
|
|
| MolPort-031-200-128 |
0.64 |
OCC1CCCN(CC2CCC=CC2)C1
|
|
| MolPort-000-705-805 |
0.64 |
[I-].CC1CC(C)=CC(C)C1C[N+](C)(C)C
|
|
| MolPort-035-705-668 |
0.64 |
C[C@@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)C=CC(=O)C4(C)C)N(C)C
|
|
| MCULE-8537665467 |
0.64 |
CC(C#N)NCC1C2C=CC(CC2)C1
|
|
| MCULE-3172836278 |
0.64 |
N1(CCCC(CO)C1)CC1CCC=CC1
|
|
| MCULE-7990578310 |
0.64 |
CC1C(C(C2CCCCC=2)O)CNC1
|
|
| MCULE-9463325169 |
0.64 |
OC1(CCCCCC1)CNCC1CC=CCC1
|
|
| MCULE-8911980154 |
0.64 |
N12C[C@@H](C)CC[C@]1([H])[C@H]([C@@]1([H])[C@]2([H])CC2([C@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2[C@]1(C)CC[C@H](O)C2)[H])C
|
|
| MCULE-6952490456 |
0.64 |
C/C(/C)=C/C(C1C2NCC(CC2)C1)O
|
|
| MCULE-3257430992 |
0.64 |
C1(CO)C(N)C2CC1C=C2
|
|
| MCULE-2429666619 |
0.64 |
CC(NC[C@H]1[C@H]2C=C[C@H](CC2)C1)C
|
|
| MCULE-1705089270 |
0.64 |
CC(NCC1C2C=CC(CC2)C1)C
|
|
| MCULE-7904269341 |
0.64 |
CC(NCC1C2C=CC(CC2)C1)(C)C
|
|
| MCULE-1783152150 |
0.64 |
OC(C1CCC(NCC2C3C=CC(C3)C2)CC1)=O
|
|
| MCULE-6416647346 |
0.64 |
CCNCC1C2C=CC(CC2)C1
|
|
| MCULE-2219613129 |
0.64 |
CCNC[C@H]1[C@H]2C=C[C@H](CC2)C1
|
|
| MCULE-8011104748 |
0.64 |
CC(NC[C@H]1[C@H]2C=C[C@H](CC2)C1)(C)C
|
|
| MCULE-1519217313 |
0.64 |
OC(C1CCCCC=1)C1C2NCC1C2
|
|
| MCULE-8632622354 |
0.64 |
CCNC1(C2C=CC(C2)C1)CO
|
|
| MCULE-3766602194 |
0.64 |
CC(NC1([C@@H]2C=C[C@@H](C2)C1)CO)C
|
|
| MCULE-3776222869 |
0.64 |
CCNC1([C@@H]2C=C[C@@H](C2)C1)CO
|
|
| MolPort-002-524-361 |
0.64 |
C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2CC3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12
|
|
| MolPort-006-170-461 |
0.64 |
N[C@@H]1[C@H](CO)[C@@H]2C[C@H]1C=C2
|
|
| MolPort-008-373-557 |
0.63 |
CC(CCC=C(C)C)NCC12CC3CC(C1)C(O)C(C3)C2
|
|
| MCULE-6019750463 |
0.63 |
C12(CNC(C)CC/C=C(\C)/C)CC3CC(C(C(C3)C1)O)C2
|
|
| MCULE-2911972452 |
0.63 |
OC(C1CCC(NCC2C3C=CC(CC3)C2)CC1)=O
|
|
| MCULE-2429806409 |
0.63 |
OCC1(CNC1)CC1CC=CC1
|
|
| MCULE-6407877939 |
0.63 |
C[C@H]1CC[C@@H]([C@H]([C@@H]2[C@]3(C)[C@H]([C@H]4[C@H](CC3)[C@]3(C)C(C[C@H](CC3)O)=CC4)C[C@@H]2O)C)N(C)C1
|
|
| MCULE-8995433010 |
0.63 |
C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](N(C)C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@H]1OC
|
|
| MCULE-9080029369 |
0.63 |
CCC(CCNC1[C@@H]2C=C[C@@H](CC2)C1)O
|
|
| MCULE-3875418078 |
0.63 |
CC12C(CN3CC3)(O)CCC1C1CC=C3C(C)(C1CC2)CCC(O)C3
|
|
| MCULE-6706932725 |
0.63 |
[C@]12(C)CCC3[C@@]([H])(CC=C4C[C@@H](O)CC[C@]34C)C1C[C@@H](O)[C@@H]2[C@H](C)[C@@]1([H])CC[C@H](CN1)C
|
|
| MCULE-1367761206 |
0.63 |
CNC1CC(C(C2CCCCC=2)O)C1
|
|
| MCULE-5243836648 |
0.63 |
C1(CO)C(N)C2CC1C=C2.Cl
|
|
| MCULE-5471602250 |
0.63 |
OC(C1CCCCCC=1)CC1CNC1
|
|
| MCULE-7912573782 |
0.63 |
CC(CC(C(=O)O)CNCC1C2C=CC(C2)C1)C
|
|
| MCULE-9053104739 |
0.63 |
OC1(C2NCCCC2)C2C=CC(C2)C1
|
|
| MolPort-035-705-637 |
0.63 |
CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)N(C)C
|
|
| MolPort-002-354-270 |
0.63 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2(O)CN1CC1
|
|
| MolPort-002-525-357 |
0.63 |
C[C@@H]([C@H]1[C@H](O)CC2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)[C@H]1CC[C@@H](C)CN1
|
|
| MolPort-006-170-458 |
0.63 |
Cl.N[C@H]1[C@@H](CO)[C@@H]2C[C@H]1C=C2
|
|
| MolPort-002-054-120 |
0.63 |
Cl.NC1C(CO)C2CC1C=C2
|
|
| MolPort-011-249-025 |
0.63 |
CC(C)NCC1CC2CC1C=C2
|
|
| MolPort-046-555-077 |
0.63 |
CC1=C(CCN2CCC[C@]3(CCC[C@H]3O)C2)C(C)(C)CCC1
|
|
| MolPort-002-550-929 |
0.63 |
CC1CC(C)=CC(C)C1CNC1CCCCC1
|
|
| MolPort-039-339-170 |
0.62 |
C[C@@]1(CO)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@@]3(C)[C@@H]2C1
|
|
| MolPort-013-972-327 |
0.62 |
NC(CO)C1CCC=CC1
|
|
| MolPort-003-993-534 |
0.62 |
OCCCCNCCC1CCCC=C1
|
|
| MolPort-028-773-302 |
0.62 |
CC(CCC=C(C)C)NCC1CCCC(O)C1
|
|
| MolPort-002-150-116 |
0.62 |
OC1CCN(CC2CCC=CC2)CC1
|
|
| MolPort-008-373-192 |
0.62 |
CC(CCC=C(C)C)NC(C)C12CC3CC(CC(O)(C3)C1)C2
|
|
| MCULE-3852616641 |
0.62 |
C1(CCN2CCC[C@]3(CCC[C@H]3O)C2)C(C)(C)CCCC=1C
|
|
| MCULE-2927382977 |
0.62 |
OCCC1(CCC1)CNC1[C@@H]2C=C[C@@H](CC2)C1
|
|
| MCULE-1906258139 |
0.62 |
OC1CC(NC2C3C=CC(C3)C2)C1
|
|
| MCULE-2331913954 |
0.62 |
NC1C(C(C2CCCCC=2)O)CCC1
|
|
| MCULE-5952896973 |
0.62 |
CC(NCC1C2C=CC(C2)C1)C
|
|
| MCULE-2522604628 |
0.62 |
C1=C(C)CC(C(CNC2CCCCC2)C1C)C
|
|
| MCULE-7860522622 |
0.62 |
C(C1CC=CCC1)NC1C2CC(CC2)C1
|
|
| MCULE-6830245759 |
0.62 |
CC1NCC(C(/C=C(\C)/C)O)CC1
|
|
| MCULE-9087411700 |
0.62 |
NC(CC1C2C=CC(CC2)C1)CO
|
|
| MCULE-4102226627 |
0.62 |
NCC(CC1C2C=CC(CC2)C1)O
|
|
| MCULE-7855522227 |
0.62 |
CCC(C(=O)O)(CNCC1C2C=CC(C2)C1)CC
|
|
| MCULE-8797045230 |
0.62 |
CC(NCC1CC(O)CCC1)CC/C=C(\C)/C
|
|
| MCULE-2931111597 |
0.62 |
C/C(/C)=C/CCC1C(O)CCNC1
|
|
| MCULE-5086608018 |
0.62 |
C12(CC3CC(CC(C3)(O)C1)C2)C(C)NC(C)CC/C=C(/C)\C
|
|
| MCULE-4488369369 |
0.62 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1C[C@@H](N(C)C)C2C(C)=O
|
|
| MCULE-4695335780 |
0.62 |
[C@]12(CC[C@]([H])(N(C)CCCN(C)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H])[H]
|
|
| MCULE-2115945080 |
0.62 |
C12(C)CCC(CC1=CCC1C2CCC2(C1CCC2N)C)O
|
|
| MCULE-7742143837 |
0.62 |
CC(C(CC1(CC=CCC1)N)(O)C)C
|
|
| MCULE-8929072625 |
0.62 |
CC(C(CC1(CC=CCC1)N)O)(C)C
|
|
| MCULE-9126151472 |
0.62 |
CCC(CC1(CC=CCC1)N)(O)C
|
|
| MCULE-1082708629 |
0.62 |
OC1(C2NCCC2)C2C=CC(C2)C1
|
|
| MCULE-4865687736 |
0.62 |
NC1(CC=CCC1)CC(C(F)(F)F)O
|
|
| MCULE-3954767055 |
0.62 |
C/C(/C)=C/C(CC1NCCCC1)O
|
|
| MCULE-9378673615 |
0.62 |
NC1(CC=CCC1)CC(CF)O
|
|
| MCULE-9958550777 |
0.62 |
C/C(/C)=C/C(CC1NCCC1)O
|
|
| MCULE-4799261489 |
0.62 |
CC(CNC1[C@@H]2[C@@H](C=CC2)C1)(CCO)C
|
|
| MCULE-1510883792 |
0.62 |
CC(C(=O)O)CN(CC1C2C=CC(C2)C1)C
|
|
| MCULE-6643144793 |
0.62 |
C1(N(C)C)CCC=CCCC1
|
|
| MCULE-3854129268 |
0.62 |
[N+](C)(C)(C)C1CCCC=CCC1
|
|
| MCULE-8015439669 |
0.62 |
OC(C1CCC(NCC2CC=CCC2)CC1)=O
|
|
| MCULE-8415118010 |
0.62 |
CNC(CC1C2C=CC(CC2)C1)C
|
|
| MCULE-4995838216 |
0.62 |
CNCCC1C2C=CC(CC2)C1
|
|
| MolPort-002-511-084 |
0.62 |
CN(C)[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
|
|
| MolPort-002-354-437 |
0.62 |
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2N
|
|
| MolPort-029-924-865 |
0.61 |
CN(CC1CC2CC1C=C2)CC1CC2CC1C=C2
|
|
| MolPort-008-364-472 |
0.61 |
CC(CCCC(C)(C)O)NC(C)CCC=C(C)C
|
|
| MolPort-046-761-446 |
0.61 |
[2H]C([2H])([2H])C1([C@@H](O)CC[C@@]2(C)[C@H]1CCC1=C2CC[C@]2(C)[C@H](CC=C12)[C@H](C)CCC=C(C)C)C([2H])([2H])[2H]
|
|
| MolPort-046-683-754 |
0.61 |
C[C@H](CCC=C(C)C)[C@H]1CC=C2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3
|
|
| MolPort-042-623-001 |
0.61 |
NCC1(O)CC2CC1C=C2
|
|
| MolPort-000-701-749 |
0.61 |
CC1CC(C)=CC(C)C1CNCCO
|
|
| MCULE-5632327052 |
0.61 |
CC1C(NCC2C3C=CC(CC3)C2)C1
|
|
| MCULE-3947334491 |
0.61 |
C1CC(C2C3C=CC(CC3)C2)NC1
|
|
| MCULE-1880935324 |
0.61 |
C([C@H]1[C@H]2C=C[C@H](CC2)C1)NC1CC1
|
|
| MCULE-5202332149 |
0.61 |
CC1(NCC2C3C=CC(CC3)C2)CC1
|
|
| MCULE-4481038186 |
0.61 |
C1CC23CN(C)CC2(CCCC3)CC=1
|
|
| MCULE-1783708995 |
0.61 |
C(C1C2C=CC(CC2)C1)NC1CC1
|
|
| MCULE-9930853722 |
0.61 |
C1C2C3C=CC(C2CN1)CC3
|
|
| MCULE-8556029266 |
0.61 |
CN(CC1C2C=CC(C2)C1)CC1C2C=CC(C2)C1
|
|
| MCULE-1509918825 |
0.61 |
N(C(C)CCCC(C)(C)O)C(C)CC/C=C(/C)\C
|
|
| MCULE-2329507755 |
0.61 |
C(C1C2C=CC(CC2)C1)NC1CCC1
|
|
| MCULE-2895855878 |
0.61 |
C(N1CCCC1)C1C2C=CC(CC2)C1
|
|
| MCULE-1847393059 |
0.61 |
C1CC23CNCC2(CCCC3)CC=1
|
|
| MCULE-9944420793 |
0.61 |
CC1C(NCC2C3C=CC(C3)C2)CCC1
|
|
| MCULE-3779246208 |
0.61 |
OC(C1(CNC1)CC1CC=CCC1)=O
|
|
| MCULE-4075616331 |
0.61 |
OC(C1CCCCC=1)CC1CNC1
|
|
| MCULE-2767947794 |
0.61 |
C1=CC2CC1C(CN)(O)C2
|
|
| MCULE-3658264641 |
0.61 |
NC1([C@@H]2C=C[C@@H](C2)C1)CO
|
|
| MCULE-9903801290 |
0.61 |
C1C(C)C(CNCCO)C(CC=1C)C
|
|
| MCULE-5147629027 |
0.61 |
C/C(/C)=C/C(C1C2NCC1C2)O
|
|
| MCULE-5720487206 |
0.61 |
Cl.Cl.C[C@@]12[C@@H](N(CCCN(C)C)C)CC[C@H]1[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1CC2
|
|
| MCULE-4763257938 |
0.61 |
COCCCCNCC1C2C=CC(C2)C1
|
|
| MCULE-3622596372 |
0.61 |
COC1CCC(N(CC2CC=CCC2)C)CC1
|
|
| MCULE-5595980054 |
0.61 |
C12(C)CCC3(C([H])(C(O)CC4([H])CC(O)CCC34C)C1([H])CCC2([H])C(C)CCC(=O)NCC1CC2CC1C=C2)[H]
|
|
| MCULE-6309505043 |
0.61 |
CN(C(NCC1CC=CCC1)=O)CC1C(O)CCCC1
|
|
| MCULE-4757213252 |
0.61 |
[C@]12(C)CC[C@]3([C@@]([H])([C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]34C)[C@]1([H])CC[C@]2([H])[C@H](C)CCC(=O)NCC1CC2CC1C=C2)[H]
|
|
| MCULE-7752844529 |
0.61 |
OCC1(NC2CC2)[C@@H]2C=C[C@@H](C2)C1
|
|
| MCULE-5809507316 |
0.61 |
OCC1(NC2CC2)C2C=CC(C2)C1
|
|
| MCULE-4774957045 |
0.61 |
C1C(C)C(CNCC(C)C)C(CC=1C)C
|
|
| MCULE-5004421163 |
0.61 |
CC(C(C1CCCCCC=1)O)(CN)C
|
|
| MCULE-9898577720 |
0.61 |
CC(CC(C1CCCCCC=1)O)N
|
|
| MCULE-8369588038 |
0.61 |
CC(C(C(C1CCCCCC=1)O)C)N
|
|
| MCULE-9307022422 |
0.61 |
C1(CC2CC1C=C2)CN(CCO)CCO
|
|
| MCULE-4436574111 |
0.61 |
OC1CN(CC2C3C=CC(CC3)C2)C1
|
|
| MCULE-8614630058 |
0.61 |
COCC1(CCC1)CNC1[C@@H]2[C@@H](C=CC2)C1
|
|
| MCULE-3986961784 |
0.61 |
CC(OCCCNCC1C2C=CC(C2)C1)C
|
|
| MCULE-4622421578 |
0.61 |
CC1N(CC2C3C=CC(C3)C2)CC(C(=O)O)CC1
|
|
| MolPort-028-784-723 |
0.61 |
COC1CCC(CC1)N(C)CC1CCC=CC1
|
|
| MolPort-019-825-679 |
0.61 |
C[C@H](CCC(=O)NCC1CC2CC1C=C2)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
|
|
| MolPort-039-345-882 |
0.61 |
CC(CCC(=O)NCC1CC2CC1C=C2)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
|
|
| MolPort-028-910-327 |
0.61 |
CN(CC1CCCCC1O)C(=O)NCC1CCC=CC1
|
|
| MolPort-002-551-787 |
0.61 |
CC(C)CNCC1C(C)CC(C)=CC1C
|
|
| MolPort-046-289-128 |
0.61 |
CC(O)(CN)C1CC2CC1C=C2
|
|
| MolPort-002-149-336 |
0.61 |
OCCN(CCO)CC1CC2CC1C=C2
|
|
| MolPort-005-984-495 |
0.60 |
C1NC[C@@H]2[C@H]3C[C@H](C=C3)[C@H]12
|
|
| MolPort-008-363-692 |
0.60 |
CC(CCC=C(C)C)N[C@H]1CC[C@H](O)CC1
|
|
| MolPort-020-180-933 |
0.60 |
CC(C)=CCCCCCCN1CCCCC1CCO
|
|
| MolPort-027-918-941 |
0.60 |
CC(C)(CCO)CNCC1CCC=CC1
|
|
| MolPort-006-192-740 |
0.60 |
C1NCC2C3CC(C=C3)C12
|
|
| MolPort-044-729-626 |
0.60 |
C[C@]12CNC[C@H]1[C@@H]1C[C@H]2C=C1
|
|
| MolPort-039-239-923 |
0.60 |
Cl.C1NCC2C1C1CCC2C=C1
|
|
| MolPort-046-689-534 |
0.60 |
CC(C)[C@@H](C)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CC[C@@H]1C
|
|
| MolPort-045-990-438 |
0.60 |
OC1CCCN(CC2CCCC=CCC2)CC1
|
|
| MolPort-029-927-294 |
0.60 |
CCC(C)C(CO)NCC1CCC=CC1
|
|
| MolPort-038-965-087 |
0.60 |
CC1CCC=C(C)C1CN1C2CCC1CC(O)C2
|
|
| MolPort-002-509-962 |
0.60 |
C[C@@H]1CC2C3CC=C4CC(O)CC[C@]4(C)C3CC[C@]2(C)C1NC(C)=O
|
|
| MolPort-027-918-922 |
0.60 |
CCCC(C)(CO)NCC1CCC=CC1
|
|
| MolPort-002-538-996 |
0.60 |
CC1CC(C)=CC(C)C1CN(CCO)CC1C(C)CC(C)=CC1C
|
|
| MolPort-002-622-310 |
0.60 |
NCC1CC2CC1C=C2.OC(=O)C1C[C@H]2CC[C@@H]1C2
|
|
| MolPort-046-762-691 |
0.60 |
CC(C)[C@H](C)\C=C\[C@H](C)[C@@H]1CC[C@@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CC[C@H]1C
|
|
| MCULE-7471433700 |
0.60 |
CC(C(CC1CC=CCC1)O)(N)C
|
|
| MCULE-4705526502 |
0.60 |
[I-].[N+](C)(C)(C)C1CCCC=CCC1
|
|
| MCULE-7838668735 |
0.60 |
CN(C=O)CC1C2C=CC(CC2)C1
|
|
| MCULE-4672280205 |
0.60 |
N1(CCCCC1CCO)CCCCCC/C=C(\C)/C
|
|
| MCULE-5137757743 |
0.60 |
CN(C#N)CC1C2C=CC(CC2)C1
|
|
| MCULE-4291397400 |
0.60 |
C(C1C2C=CC(C2)C1)NC(C1CC1)C1CC1
|
|
| MCULE-9274878893 |
0.60 |
CC1NCCC(CC2CC=CC2)(O)C1
|
|
| MCULE-7199700638 |
0.60 |
[C@H]12C[C@H]([C@@]3([H])CNC[C@]31[H])C=C2
|
|
| MCULE-5631995692 |
0.60 |
OC1(CCNCC1)CC1CC=CC1
|
|
| MCULE-4324872682 |
0.60 |
CC(CNCC1CC=CCC1)(CCO)C
|
|
| MCULE-9986856817 |
0.60 |
C12CC(C3([H])CNCC31[H])C=C2
|
|
| MCULE-3481412485 |
0.60 |
N(C(C)CC/C=C(/C)\C)[C@H]1CC[C@@H](CC1)O
|
|
| MCULE-8376484020 |
0.60 |
C[C@@]12[C@@H]3C=C[C@@H](C3)[C@@H]1CNC2
|
|
| MCULE-2907441290 |
0.60 |
N#CNCC1C2C=CC(CC2)C1
|
|
| MCULE-9899552256 |
0.60 |
CN1CCC(CC2CC=CC2)(O)CC1
|
|
| MCULE-7665529614 |
0.60 |
O=CNCC1C2C=CC(CC2)C1
|
|
| MCULE-7876781266 |
0.60 |
Cl.C1C2C3C=CC(C2CN1)CC3
|
|
| MCULE-6303179586 |
0.60 |
OC(C1CNCC1)CC1CCCC=1
|
|
| MCULE-1240033426 |
0.60 |
CC1(C(CC2CCCC=2)O)CNCC1
|
|
| MCULE-2691287637 |
0.60 |
CC(CCCNC1[C@@H]2C=C[C@@H](CC2)C1)O
|
|
| MCULE-7281071211 |
0.60 |
CN1CC(C(CC2CCCC=2)O)CC1
|
|
| MCULE-5793237241 |
0.60 |
OC(CCCCC(NCC1C2C=CC(CC2)C1)=O)=O
|
|
| MCULE-2385757148 |
0.60 |
OC(C1CCC(C(NCC2C3C=CC(CC3)C2)=O)CC1)=O
|
|
| MCULE-6414250172 |
0.60 |
OCC1CC(NC2C3C=CC(C3)C2)C1
|
|
| MCULE-5616696297 |
0.60 |
C[C@H]1N(CC2C3C=CC(C3)C2)CCC[C@H]1C(=O)O
|
|
| MCULE-3111895588 |
0.60 |
C1(CN(CCO)CC2C(C)CC(=CC2C)C)C(C)CC(=CC1C)C
|
|
| MCULE-4467739964 |
0.60 |
CC1C(CN2C3CC(CC2CC3)O)C(C)=CCC1
|
|
| MCULE-3200570847 |
0.60 |
CCCC(NCC1CC=CCC1)(CO)C
|
|
| MCULE-8283506918 |
0.60 |
OC1CCN(CC2CCC=CCCC2)CCC1
|
|
| MCULE-1352198498 |
0.60 |
CCC(C(NCC1CC=CCC1)CO)C
|
|
| MCULE-4171924512 |
0.60 |
CC1CN(CC2C3C=CC(C3)C2)CC(C(=O)O)C1
|
|
| MCULE-5156544049 |
0.60 |
CC(C(C1(CC=CCC1)N)C)O
|
|
| MCULE-2755981051 |
0.60 |
OC(C1CN(CC2C3C=CC(C3)C2)CCC1)=O
|
|
| MCULE-3142635390 |
0.60 |
OCC1CC(NC2[C@@H]3C=C[C@@H](C3)C2)C1
|
|
| MCULE-5664200255 |
0.60 |
[C@]12(C)CCC3C(CC=C4CC(O)CC[C@]34C)C1C[C@@H](C)C2NC(C)=O
|
|
| MCULE-1451433715 |
0.60 |
CC(CC1(CC=CCC1)N)(O)C
|
|
| MCULE-4217565825 |
0.60 |
CC(COCCCNCC1C2C=CC(C2)C1)C
|
|
| MCULE-6938025716 |
0.60 |
OC(C1NCCC1)CC1CC=CCC1
|
|
| MCULE-4715266528 |
0.60 |
CCC1C(C(/C=C(\C)/C)O)CCN1
|
|
| MCULE-5498267011 |
0.60 |
CC1N(CC2CC=CCC2)CC(O)C1
|
|
| MCULE-5190086051 |
0.60 |
OC1(CCC1)CNC1[C@@H]2[C@@H](C=CC2)C1
|
|
| MCULE-1370314709 |
0.60 |
CCC1(N(CC2CC=CCC2)CCC1)CO
|
|
| MCULE-1550829784 |
0.60 |
C1(CC2CC1C=C2)CN(CC(C)O)CC(C)O
|
|
| MCULE-5747090745 |
0.60 |
NCC1(C(C2CCCCCC=2)O)CC1
|
|
| MCULE-6787725163 |
0.60 |
NC1(CC1)CC(C1CCCCCC=1)O
|
|
| MCULE-9684432501 |
0.60 |
CC1(C(C2CCCCC=2)(O)CC1N)C
|
|
| MCULE-9532014931 |
0.60 |
NC1(CC1)CC(C1CCCCC=1)O
|
|
| MCULE-9590870909 |
0.60 |
C1CC2(CC=CCC2)CNC1
|
|
| MCULE-8927774364 |
0.60 |
C(C1CC=CCC1)NC12CCCC1C2
|
|
| MCULE-5905854784 |
0.60 |
CC1C(C[N+]2(CCCCC2)C)C(C)C=C(C)C1
|
|
| MCULE-8878110559 |
0.60 |
NC1(CCC1)CC(C1CCCCC=1)O
|
|
| MCULE-1193303005 |
0.60 |
CNC(CC1CC=CCC1)C
|
|
| MCULE-7163673280 |
0.60 |
CNC1C(CC2CC=CCC2)CCC1
|
|
| MCULE-4261990794 |
0.60 |
CNC1CC(CC2CC=CCC2)CC1
|
|
