| MCULE-7559038303 |
0.73 |
C1C=C2NC=C(C(CC(C)(C)C)=O)C2=CC=1C(=O)OC
|
|
| MCULE-4016665918 |
0.73 |
O=C1C2C=NC(=CC=2CC1)C
|
|
| MolPort-004-757-266 |
0.73 |
CC1=NC=C2C(=O)CCC2=C1
|
|
| MCULE-5561374611 |
0.72 |
C12=C(C=CC=C1C(OC)=O)C(=CN2)CCC(C)=O
|
|
| MCULE-7876527340 |
0.72 |
C1(CCC(O)=O)=C(C)NC2=CC=C(C(O)=O)C=C12
|
|
| MolPort-002-522-413 |
0.72 |
COC(=O)C1=C2NC=C(CCC(C)=O)C2=CC=C1
|
|
| MolPort-006-829-988 |
0.72 |
CC1=C(CCC(O)=O)C2=CC(=CC=C2N1)C(O)=O
|
|
| MolPort-001-820-375 |
0.71 |
CCOC(=O)C1=C(CCC(O)=O)C2=CC(=CC=C2N1)C(=O)OCC
|
|
| MolPort-029-940-198 |
0.71 |
CC1=C(C(=O)C(C#N)C(=O)C2=CC=C3COCC3=C2)C2=CC=CC=C2N1
|
|
| MCULE-5568864185 |
0.71 |
C12C=C(C=CC=1NC(C(=O)OCC)=C2CCC(=O)O)C(=O)OCC
|
|
| MCULE-9632852878 |
0.71 |
CC1=C(C(C(C(C2=CC3=C(COC3)C=C2)=O)C#N)=O)C2=C(C=CC=C2)N1
|
|
| MCULE-1631960370 |
0.71 |
C1(C(=O)O)=CC=C2NC(C)=C(CC(C)C)C2=C1
|
|
| MolPort-005-311-715 |
0.70 |
OC(=O)C1=C2NC3=C(CCC3)C2=CC=C1
|
|
| MolPort-016-584-257 |
0.70 |
CC(=O)CC(C)(C)C1=CNC2=C(C=CC=C12)C(O)=O
|
|
| MCULE-8178938827 |
0.70 |
C1C=C2NC=C(C(CC(C)(C)C)=O)C2=CC=1C(=O)O
|
|
| MCULE-8350204467 |
0.70 |
C12=C(C=CC=C1C(O)=O)C(=CN2)C(C)(C)CC(C)=O
|
|
| MCULE-1500273599 |
0.70 |
N1C2C=CC=CC=2C(CCCC(O)=O)=C1C(O)=O
|
|
| MCULE-3886005062 |
0.70 |
COC(C1=C(COC(CCCC2C3=C(C=CC=C3)NC=2)=O)N=C2C(C=CC=C2)=C1C)=O
|
|
| MolPort-004-623-080 |
0.70 |
COC(=O)C1=C(C)C2=CC=CC=C2N=C1COC(=O)CCCC1=CNC2=CC=CC=C12
|
|
| MCULE-6738967763 |
0.69 |
N1C2C=CC(=CC=2C2CCCC=21)C(O)=O
|
|
| MolPort-001-001-588 |
0.69 |
OC(=O)C1=CC=C2NC3=C(CCC3)C2=C1
|
|
| MolPort-000-901-017 |
0.68 |
OC(=O)CCC1=C(NC2=CC=CC=C12)C(O)=O
|
|
| MolPort-001-939-188 |
0.68 |
CCOC(=O)C1=CC=C2NC3=C(CCCC3O)C2=C1
|
|
| MolPort-000-664-280 |
0.68 |
COC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1
|
|
| MCULE-6041886979 |
0.68 |
CCC1C2NC3CCC(=O)C=3C=2C=CC=1
|
|
| MCULE-6043763352 |
0.68 |
C1(C(O)=O)NC2C(=CC=CC=2)C=1CCC(O)=O
|
|
| MCULE-5033343805 |
0.68 |
C12C(CCCC=1C1=C(C=CC(C(OCC)=O)=C1)N2)O
|
|
| MCULE-8719477356 |
0.68 |
N1C2C=CC(=CC=2C2CCCCC=21)C(OC)=O
|
|
| MCULE-9618751043 |
0.68 |
C(OCC)(C1=CC2C(CCC(OCC)=O)=C(C(OCC)=O)NC=2C(CC)=C1)=O
|
|
| MCULE-3782703989 |
0.68 |
C1(C2=CC=CC=C2NC=1C)C(=O)CC(C)C
|
|
| MolPort-002-931-111 |
0.68 |
CC(C)CC(=O)C1=C(C)NC2=CC=CC=C12
|
|
| MolPort-001-993-473 |
0.67 |
OC(=O)C1=C2NC3=C(CCCC3)C2=CC=C1
|
|
| MolPort-002-855-741 |
0.67 |
COC(=O)C1=C(CC(C#N)C#N)C2=CC=CC=C2N1
|
|
| MolPort-027-940-323 |
0.67 |
CC1CCC2=C(C1)C1=CC=CC(C(=O)OCC3=CC=CC=N3)=C1N2
|
|
| MCULE-1982282301 |
0.67 |
C1(C(OC)=O)NC2C(=CC=CC=2)C=1CC(C#N)C#N
|
|
| MCULE-3880782926 |
0.67 |
CC1CC2=C(NC3=C2C=CC=C3C(OCC2=NC=CC=C2)=O)CC1
|
|
| MCULE-8846829529 |
0.67 |
C12CCC(O)C=1NC1C=CC(C)=CC2=1
|
|
| MCULE-4691647822 |
0.67 |
C12CC(C)CCC=1NC1C=CC(C(OC)=O)=CC2=1
|
|
| MCULE-8753028114 |
0.67 |
C1(C(OC)=O)NC2C(=CC=C(C(C)(C)C)C=2)C=1C=O
|
|
| MCULE-4616603374 |
0.67 |
C1(C(OC)=O)NC2C(=CC=C(C(C)C)C=2)C=1C=O
|
|
| MolPort-046-791-600 |
0.67 |
OC(=O)C1=C(C2CC2)C2=CC=CC=C2N1
|
|
| MolPort-000-664-279 |
0.67 |
COC(=O)C1=CC=C2NC3=C(CC(C)CC3)C2=C1
|
|
| MolPort-002-084-337 |
0.67 |
CC1=CC=C2NC3=C(CCC3O)C2=C1
|
|
| MolPort-020-116-496 |
0.66 |
CC1=C(C(=O)C(C#N)C(=O)C2=CC=CC=C2)C2=CC=CC=C2N1
|
|
| MolPort-001-002-225 |
0.66 |
CC(C)OC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1
|
|
| MolPort-003-791-474 |
0.66 |
CC1CCC2=C(C1)C1=CC=CC(C(O)=O)=C1N2
|
|
| MolPort-000-664-281 |
0.66 |
CCOC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1
|
|
| MolPort-044-616-718 |
0.66 |
COC(=O)C1=NC2=CC=CC=C2C=C1C1CC1
|
|
| MolPort-004-954-803 |
0.66 |
CCOC(=O)C1=C(C)C(C(=O)CCC2=CC=CC=C2)=C(C)N1
|
|
| MolPort-000-876-076 |
0.66 |
CCOC(=O)CCC1=C(NC2=CC=CC=C12)C(=O)OCC
|
|
| MolPort-000-145-305 |
0.66 |
OC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1
|
|
| MCULE-9918792550 |
0.66 |
C1(C(OCC)=O)NC(=C(C(CCC2C=CC=CC=2)=O)C=1C)C
|
|
| MCULE-3656335274 |
0.66 |
N1C2C=CC(=CC=2C2CCCCC=21)C(=O)OC(C)C
|
|
| MCULE-1067164339 |
0.66 |
N1C2C=CC(=CC=2C2CCCCC=21)C(OCC)=O
|
|
| MCULE-7784751244 |
0.66 |
CC1=C(C(C(C(C2=CC=CC=C2)=O)C#N)=O)C2=C(C=CC=C2)N1
|
|
| MCULE-1590270143 |
0.66 |
C1(CCC(=O)OCC)=C(C(=O)OCC)NC2=CC=CC=C12
|
|
| MCULE-8218060596 |
0.66 |
N1C2C=CC(=CC=2C2CCCCC=21)C(O)=O
|
|
| MCULE-5061124116 |
0.66 |
C1(C(CCC(O)=O)=O)C2C=CC=CC=2NC=1C
|
|
| MCULE-2806144610 |
0.66 |
OC(C1=C2C(C3=C(N2)CCCCC3)=CC=C1)=O
|
|
| MCULE-8405729141 |
0.66 |
CC(C1=CC=C(COC(C2=CC3=C(NC4=C3CCCC4)C=C2)=O)C=C1)(C)C
|
|
| MCULE-2499469735 |
0.66 |
C1(C(CCCC)=O)C2=CC=CC=C2NC=1C
|
|
| MCULE-5420640612 |
0.66 |
C12C=C(C=CC=1NC(C(=O)O)=C2CC)C
|
|
| MCULE-2021932563 |
0.66 |
C1(C(O)=O)C2=CC=CC(CC)=C2NC=1C
|
|
| MCULE-3245582038 |
0.66 |
[Na+].C1(C(CCC(=O)[O-])=O)C2C=CC=CC=2NC=1C
|
|
| MCULE-4848529418 |
0.66 |
CC(C(C(C1C2=C(C=CC=C2)NC=1C)=O)C#N)=O
|
|
| MolPort-005-311-683 |
0.66 |
OC(=O)C1=C2NC3=C(CCCCC3)C2=CC=C1
|
|
| MolPort-005-853-015 |
0.66 |
CC(C)(C)C1=CC=C(COC(=O)C2=CC=C3NC4=C(CCCC4)C3=C2)C=C1
|
|
| MolPort-002-000-009 |
0.66 |
CCC1=C(NC2=CC=C(C)C=C12)C(O)=O
|
|
| MolPort-002-938-484 |
0.66 |
CCCCC(=O)C1=C(C)NC2=CC=CC=C12
|
|
| MolPort-002-129-826 |
0.66 |
[Na+].CC1=C(C(=O)CCC([O-])=O)C2=CC=CC=C2N1
|
|
| MolPort-038-952-251 |
0.66 |
CC(=O)C(C#N)C(=O)C1=C(C)NC2=CC=CC=C12
|
|
| MolPort-002-745-326 |
0.65 |
COC(=O)C1=C2C(NC3=C2CCCC3)=CC=C1
|
|
| MolPort-035-776-162 |
0.65 |
CCOC(=O)C1CC2=CC(C)=NC=C2C1=O
|
|
| MolPort-002-307-807 |
0.65 |
COC(=O)C1=CC=C2C(NC3=C2CCCC3)=C1
|
|
| MolPort-006-829-987 |
0.65 |
CC1=C(CCC(O)=O)C2=CC(C)=CC=C2N1
|
|
| MolPort-002-146-758 |
0.65 |
CCOC(=O)C1=CC=C2NC3=C(CCCC3=O)C2=C1
|
|
| MolPort-030-006-868 |
0.65 |
CC(=O)COC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1
|
|
| MolPort-000-124-661 |
0.65 |
CCC1=C(C)NC2=CC=C(C=C12)C(O)=O
|
|
| MolPort-002-847-124 |
0.65 |
OC(=O)C1=CC=C2NC3=C(CCCCCC3)C2=C1
|
|
| MolPort-000-664-278 |
0.65 |
CC1CCC2=C(C1)C1=CC(=CC=C1N2)C(O)=O
|
|
| MolPort-000-676-931 |
0.65 |
CC(C)(C)C1CCC2=C(C1)C1=CC(=CC=C1N2)C(O)=O
|
|
| MolPort-009-651-801 |
0.65 |
CC1=CC(C)=C2NC3=C(CCC3=O)C2=C1
|
|
| MolPort-007-582-973 |
0.65 |
CCOC(=O)C1=C(CCC(O)=O)C2=CC=CC=C2N1C
|
|
| MolPort-000-714-567 |
0.65 |
CC1=CC=C2NC3=C(CCC3=O)C2=C1
|
|
| MCULE-8456428132 |
0.65 |
C1C=CC2NC3CCCCC=3C=2C=1C(=O)OC
|
|
| MCULE-6396154593 |
0.65 |
C1C(C(=O)OC)=CC2NC3CCCCC=3C=2C=1
|
|
| MCULE-9716733030 |
0.65 |
C1(CCC(O)=O)C2=CC(C)=CC=C2NC=1C
|
|
| MCULE-1578877553 |
0.65 |
C12C(CCCC=1C1=C(C=CC(C(OCC)=O)=C1)N2)=O
|
|
| MCULE-3318134085 |
0.65 |
CC(COC(C1=CC2=C(NC3=C2CCCC3)C=C1)=O)=O
|
|
| MCULE-9383557026 |
0.65 |
N1C2C=CC(=CC=2C(CC)=C1C)C(O)=O
|
|
| MCULE-2088559283 |
0.65 |
N1C(C)=C(C(C)C)C2C=C(C=CC1=2)C(=O)O
|
|
| MCULE-5092581074 |
0.65 |
C12CC(C)CCC=1NC1C=CC(C(O)=O)=CC2=1
|
|
| MCULE-3324930310 |
0.65 |
C12CC(CCC=1NC1C=CC(C(O)=O)=CC2=1)C(C)(C)C
|
|
| MCULE-1108497486 |
0.65 |
C12C(=O)CCC=1C1=C(C(C)=CC(C)=C1)N2
|
|
| MCULE-7606047478 |
0.65 |
N1C2=CC=C(C=C2C2CCCCCCC=21)C(O)=O
|
|
| MCULE-5693940828 |
0.65 |
C12C(=O)CCC1=NC1C(=CC=CC=1)C=2C
|
|
| MCULE-5006516462 |
0.65 |
C12C(=O)CCC=1C1=C(C=CC(C)=C1)N2
|
|
| MCULE-6930285907 |
0.65 |
C12C=C(C=CC=1NC(C(=O)OCC)=C2CCC(=O)O)N(=O)=O
|
|
| MCULE-3883329974 |
0.65 |
N1(C)C2=CC=CC=C2C(CCC(O)=O)=C1C(OCC)=O
|
|
| MCULE-7583631602 |
0.65 |
CC(C#N)OC(C1=CC2=C(NC3=C2CCCC3)C=C1)=O
|
|
| MCULE-6667837418 |
0.65 |
C12C(CCCC=1C1=C(C(C)=CC(C)=C1)N2)O
|
|
| MCULE-8943632340 |
0.65 |
C1(C(CCC(OC)=O)=O)C2C=CC=CC=2NC=1C
|
|
| MCULE-5732067044 |
0.65 |
C1=CC=CC2NC(C)=C(C(=O)CC(=O)OC)C1=2
|
|
| MCULE-4456192575 |
0.65 |
COC(C1C=C2NC=C(C3CCCCC3)C2=CC=1)=O
|
|
| MCULE-9050661660 |
0.65 |
N1C2C=CC=C(C(O)=O)C=2C2CCCCC=21
|
|
| MCULE-5678889819 |
0.65 |
N1C2CCCCCC=2C2C=C(C(O)=O)C=CC1=2
|
|
| MCULE-9681026009 |
0.65 |
N1C2C=CC=CC=2C(=C1C)C(CC)=O
|
|
| MolPort-005-815-224 |
0.65 |
CC(OC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1)C#N
|
|
| MolPort-009-650-864 |
0.65 |
CC1=CC(C)=C2NC3=C(CCCC3O)C2=C1
|
|
| MolPort-022-926-692 |
0.65 |
COC(=O)CC(=O)C1=C(C)NC2=CC=CC=C12
|
|
| MolPort-005-933-395 |
0.65 |
COC(=O)C1=CC=C2C(NC=C2C2CCCCC2)=C1
|
|
| MolPort-000-902-060 |
0.65 |
OC(=O)C1=C2C(NC3=C2CCCC3)=CC=C1
|
|
| MolPort-000-902-066 |
0.65 |
OC(=O)C1=CC=C2NC3=C(CCCCC3)C2=C1
|
|
| MolPort-001-794-536 |
0.65 |
CCC(=O)C1=C(C)NC2=CC=CC=C12
|
|
| MolPort-020-097-973 |
0.65 |
NC(=O)C1=CC=C(COC(=O)C2=C3NC4=C(CCCC4)C3=CC=C2)C=C1
|
|
| MolPort-035-775-062 |
0.64 |
CC1(C)CCC(=O)C2=C1C1=CC(=CC=C1N2)C(O)=O
|
|
| MolPort-002-511-823 |
0.64 |
CC1=CC=C2NC3=C(CCC[C@H]3O)C2=C1
|
|
| MolPort-001-993-472 |
0.64 |
CC1=CC=C2NC3=C(CCCC3O)C2=C1
|
|
| MolPort-001-959-944 |
0.64 |
CC(C)C1=CC=C2NC3=C(CCCC3O)C2=C1
|
|
| MolPort-009-650-061 |
0.64 |
CCC1=CC=C2NC3=C(CCCC3O)C2=C1
|
|
| MolPort-009-247-445 |
0.64 |
CC1CCC2=C(C1)C1=CC(=CC=C1N2)C(=O)OCC(C)=O
|
|
| MolPort-006-013-536 |
0.64 |
CC1=CC=C2NC3=C(C2=C1)C(=O)CCC3
|
|
| MolPort-004-194-730 |
0.64 |
CC(OC(=O)C1=CC=CC=N1)C(=O)C1=C(C)NC2=CC=CC=C12
|
|
| MolPort-000-117-505 |
0.64 |
OC(=O)C1=CC=C2C(NC3=C2CCCC3)=C1
|
|
| MCULE-9662237859 |
0.64 |
NC(C1=CC=C(COC(C2=C3C(C4=C(N3)CCCC4)=CC=C2)=O)C=C1)=O
|
|
| MCULE-3321867220 |
0.64 |
N1C2=C(C=CC=C2)C2C(=O)CCC1=2
|
|
| MCULE-9607983940 |
0.64 |
C12C(CCCC=1C1=C(C=CC(C(C)C)=C1)N2)O
|
|
| MCULE-9757183828 |
0.64 |
C12C(CCCC=1C1=C(C=CC(CC)=C1)N2)O
|
|
| MCULE-1977019762 |
0.64 |
C12C(CCCC=1C1=C(C=CC(C)=C1)N2)O
|
|
| MCULE-4713401783 |
0.64 |
C12[C@@]([H])(CCCC=1C1=C(C=CC(C)=C1)N2)O
|
|
| MCULE-9969125361 |
0.64 |
CC1CC2=C(NC3=C2C=C(C(OCC(C)=O)=O)C=C3)CC1
|
|
| MCULE-9373702964 |
0.64 |
C12C(CCCC=1NC1C=CC(C)=CC2=1)=O
|
|
| MCULE-7344841696 |
0.64 |
C1=CC(=C2NC(C(=O)O)=CC2=C1)C(=O)C
|
|
| MCULE-9602714346 |
0.64 |
CC(C(C1C2=C(C=CC=C2)NC=1C)=O)OC(C1=NC=CC=C1)=O
|
|
| MCULE-8797527409 |
0.64 |
N1C2=CC(=CC=C2C2CCCCC1=2)C(O)=O
|
|
| MCULE-5306339267 |
0.64 |
OCCOC(C1=CC2=C(NC3=C2CCCC3)C=C1)=O
|
|
| MCULE-5651463884 |
0.64 |
CC1=CC2=C(C(C(C(C(C3=CC(CC#N)=CC=C3)=O)C#N)=O)=CN2)C=C1
|
|
| MCULE-6350238926 |
0.64 |
C12C=C(C(C)=O)C=CN1C(=CC=2C(OCC)=O)C(OC)=O
|
|
| MCULE-7159197104 |
0.64 |
C12C(CCCCC=1C1=C(C=CC(C(OCC)=O)=C1)N2)=O
|
|
| MCULE-8942271030 |
0.64 |
CC1CC2=C(NC3=C2C=C(C(OCC2=CC=C(C(N)=O)C=C2)=O)C=C3)CC1
|
|
| MCULE-3181833877 |
0.64 |
CC1CC2=C(NC3=C2C=C(C(OCC(C(C)(C)C)=O)=O)C=C3)CC1
|
|
| MolPort-003-276-892 |
0.64 |
OCCOC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1
|
|
| MolPort-044-195-920 |
0.64 |
Cl.CC1=CC2=C(C=N1)C(=O)CCC2
|
|
| MolPort-020-164-654 |
0.64 |
CC1=CC=C2C(NC=C2C(=O)C(C#N)C(=O)C2=CC=CC(CC#N)=C2)=C1
|
|
| MolPort-001-972-459 |
0.64 |
CCOC(=O)C1=CC=C2NC3=C(CCCCC3=O)C2=C1
|
|
| MolPort-005-785-141 |
0.64 |
CC1CCC2=C(C1)C1=CC(=CC=C1N2)C(=O)OCC1=CC=C(C=C1)C(N)=O
|
|
| MolPort-004-588-292 |
0.64 |
CC1CCC2=C(C1)C1=CC(=CC=C1N2)C(=O)OCC(=O)C(C)(C)C
|
|
| MolPort-000-148-964 |
0.63 |
COC(=O)C1=CC2=C(C)C=C(C)C(C)=C2N1
|
|
| MolPort-009-649-765 |
0.63 |
CC1=C2NC3=C(CCC3=O)C2=CC=C1
|
|
| MolPort-002-806-936 |
0.63 |
CCOC(=O)C1=C(CC)C2=CC=CC=C2N1
|
|
| MolPort-002-548-008 |
0.63 |
CC1=C(C2=CC=CC=C2N1)C(C#N)(C#N)C1C(=O)C2=CC=CC=C2C1=O
|
|
| MolPort-000-723-133 |
0.63 |
OC1CCCC2=C1NC1=CC=C(C=C21)C12CC3CC(CC(C3)C1)C2
|
|
| MolPort-002-509-030 |
0.63 |
CC1=NC2=C(C3=C1C1=C(N3)C=CC=C1)C(=O)CC(C)(C)C2
|
|
| MolPort-002-163-714 |
0.63 |
CCCCC1=C(S)C2=CC(=CC=C2N=C1C)C(O)=O
|
|
| MolPort-016-630-846 |
0.63 |
CCC1=C(NC2=CC=CC=C12)C(O)=O
|
|
| MolPort-006-171-078 |
0.63 |
CCC1=C2N=C(C)C(=CC2=CC=C1)C(O)=O
|
|
| MCULE-5768898789 |
0.63 |
C12C(=O)CCC=1C1=C(C(C)=CC=C1)N2
|
|
| MCULE-6552415249 |
0.63 |
C12=C(C)C(C)=CC(C)=C1C=C(C(OC)=O)N2
|
|
| MCULE-1421736299 |
0.63 |
C(C#N)(C#N)(C1C2C=CC=CC=2NC=1C)C1C(=O)C2C(=CC=CC=2)C1=O
|
|
| MCULE-7467523589 |
0.63 |
C1(C(OCC)=O)=C(CC)C2=C(C=CC=C2)N1
|
|
| MCULE-4352434949 |
0.63 |
C1(C(OCC)=O)NC2C(=CC=CC=2)C=1C(C)=O
|
|
| MCULE-8717008383 |
0.63 |
C12C(CCCC=1C1=C(C=CC(=C1)C13CC4CC(CC(C4)C1)C3)N2)O
|
|
| MCULE-2153214415 |
0.63 |
C12NC3=C(C=CC=C3)C=1C(C)=NC1CC(C)(C)CC(=O)C2=1
|
|
| MCULE-3891106706 |
0.63 |
C1(C(O)=O)=C(CC)C2C(=CC=CC=2)N1
|
|
| MCULE-8973091427 |
0.63 |
C1(C(O)=O)C2CCCC=2N=C2C=CC(C)=CC=12
|
|
| MCULE-1310920248 |
0.63 |
C1(C(O)=O)=CC2=CC=CC(CC)=C2N=C1C
|
|
| MCULE-8334714661 |
0.63 |
OC(C1=C(C2CC2)C=C2C(C=CC=C2)=N1)=O
|
|
| MCULE-5552326081 |
0.63 |
C12C(=O)CCC=1C1=C(C=CC(C3CCCCC3)=C1)N2
|
|
| MCULE-1016504995 |
0.63 |
N1=C2CCCC2=C(C2C=C(C)C=C(C)C=21)C(O)=O
|
|
| MCULE-9734338897 |
0.63 |
COC(C1=CC=C(CNC(C2=CC3=C(NC4=C3CCCC4)C=C2)=O)C=C1)=O
|
|
| MCULE-7778035018 |
0.63 |
C1(C2C=CC=CC=2NC=1)C(=O)CC(C)=O
|
|
| MCULE-5872682153 |
0.63 |
C1(C(=O)CCC2C3C=CC=CC=3NC=2)C2C=CC=CC=2NC=1
|
|
| MCULE-1558794270 |
0.63 |
C1(C(C)=O)C2=CC=CC(CC)=C2NC=1C
|
|
| MCULE-4402212071 |
0.63 |
N1C(C)=C(C2=CC=C(C=C12)C(O)=O)CC
|
|
| MCULE-6720611148 |
0.63 |
N1C2C=CC(=CC=2C(CCN)=C1C)C(OC)=O
|
|
| MCULE-1332090344 |
0.63 |
ClC1C=CC2C(CCC(O)=O)=C(C(O)=O)NC=2C=1
|
|
| MCULE-1348373890 |
0.63 |
CC(C(C1C2=C(C=CC=C2)NC=1)=O)OC(C1=C(C)C(C(C)=O)=C(C)N1)=O
|
|
| MCULE-4025311289 |
0.63 |
N1C2=C(C)C=CC(C)=C2C=C1C(OC)=O
|
|
| MCULE-4095325527 |
0.63 |
C1(C(CCC)=O)=CNC(C(OC)=O)=C1
|
|
| MCULE-6446017645 |
0.63 |
C1(C(=O)CC(C)C)=CNC(C(OC)=O)=C1
|
|
| MCULE-1532995239 |
0.63 |
C1(C(C(CC)CC)=O)=CNC(C(OC)=O)=C1
|
|
| MCULE-1929620179 |
0.63 |
CC(C(C1C2=C(C=CC=C2)NC=1C)=O)OC(C1=CC=C(CO)C=C1)=O
|
|
| MCULE-9786743403 |
0.63 |
COC(C1=NC2=C(CCC2)C=C1)=O
|
|
| MolPort-000-002-679 |
0.63 |
O=C1CCC2=C1NC1=CC=C(C=C21)C1CCCCC1
|
|
| MolPort-029-499-636 |
0.63 |
OC(=O)C1=NC=C2CCCCC2=C1
|
|
| MolPort-005-759-358 |
0.63 |
COC(=O)C1=CC=C(CNC(=O)C2=CC=C3NC4=C(CCCC4)C3=C2)C=C1
|
|
| MolPort-009-757-468 |
0.63 |
Cl.CC1=NC2=C(C3=C1C1=C(N3)C=CC=C1)C(=O)CC(C)(C)C2
|
|
| MolPort-001-788-771 |
0.63 |
CC(=O)CC(=O)C1=CNC2=CC=CC=C12
|
|
| MolPort-002-847-125 |
0.63 |
CCC1=C(C)NC2=CC(=CC=C12)C(O)=O
|
|
| MolPort-002-519-655 |
0.63 |
O=C(CCC1=CNC2=CC=CC=C12)C1=CNC2=CC=CC=C12
|
|
| MolPort-004-232-443 |
0.63 |
CC(OC(=O)C1=C(C)C(C(C)=O)=C(C)N1)C(=O)C1=CNC2=CC=CC=C12
|
|
| MolPort-002-883-523 |
0.63 |
CCC(CC)C(=O)C1=CNC(=C1)C(=O)OC
|
|
| MolPort-038-948-461 |
0.63 |
COC(=O)C1=NC2=C(CCC2)C=C1
|
|
| MolPort-000-147-506 |
0.63 |
COC(=O)C1=CC2=C(C)C=CC(C)=C2N1
|
|
| MolPort-002-881-016 |
0.63 |
COC(=O)C1=CC(=CN1)C(=O)CC(C)C
|
|
| MolPort-004-205-362 |
0.63 |
CC(OC(=O)C1=CC=C(CO)C=C1)C(=O)C1=C(C)NC2=CC=CC=C12
|
|
| MolPort-044-602-919 |
0.63 |
Cl.OC(=O)C1=NC2=CC=CC=C2C=C1C1CC1
|
|
| MolPort-009-239-264 |
0.63 |
CC(OC(=O)C1=CC2=CC=CC=C2N1)C(=O)C1=CNC2=CC=CC=C12
|
|
| MolPort-004-537-968 |
0.63 |
CC1CCC2=C(C1)C1=CC(=CC=C1N2)C(=O)OCC1=CC=C(C=C1)C#N
|
|
| MolPort-000-147-962 |
0.63 |
CCOC(=O)C1=CC2=CC=CC(C(C)C)=C2N1
|
|
| MolPort-003-276-872 |
0.63 |
CCOCCOC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1
|
|
| MolPort-027-676-013 |
0.62 |
NC(=O)C1=CC=CC(COC(=O)C2=C3NC4=C(CCCC4)C3=CC=C2)=C1
|
|
| MolPort-000-730-842 |
0.62 |
CC1=CC=C2NC3=C(CCCCC3O)C2=C1
|
|
| MolPort-002-510-967 |
0.62 |
CCCC1=NC2=C(C3=C1C1=C(N3)C=CC=C1)C(=O)CC(C)(C)C2
|
|
| MolPort-005-933-394 |
0.62 |
OC(=O)C1=CC=C2C(NC=C2C2CCCCC2)=C1
|
|
| MolPort-002-855-915 |
0.62 |
COC(=O)C1=CC(=CN1)C(=O)C1CC1
|
|
| MCULE-5635852171 |
0.62 |
C12=C(C=CC3C4(CC(C)C1=3)CCCCC4)C=C(C)N2
|
|
| MCULE-6125726120 |
0.62 |
N1C2=C(C=CC(C(OC)=O)=N2)C(C(C)=O)=C1
|
|
| MCULE-8248229678 |
0.62 |
CC1N(C)C(C)=C(C(COC(C2=CC3=C(NC4=C3CCCC4)C=C2)=O)=O)C=1
|
|
| MCULE-9090276623 |
0.62 |
C1(C(O)=O)C(CCC)=NC2C(=CC=CC=2)C=1C
|
|
| MCULE-9178826391 |
0.62 |
C1(C(C)=O)=CNC2=CC=C(C(OC)=O)C=C12
|
|
| MCULE-4986398088 |
0.62 |
C12C(CCCC=1C1=C(C=CC(C(OCC)=O)=C1)N2)C#N
|
|
| MCULE-3210601121 |
0.62 |
C1(C(O)=O)NC2C(=CC(=CC=2)OC)C=1CCC(O)=O
|
|
| MCULE-3849876185 |
0.62 |
CC(C(C1C2=C(C=CC=C2)NC=1C)=O)OC(C1=CC2=C(N=C(C(=N2)C)C)C=C1)=O
|
|
| MCULE-3540689815 |
0.62 |
CC1=C(C(C(C(C2=CC=C(N3C=CC=C3)C=C2)=O)C#N)=O)C2=C(C=CC=C2)N1
|
|
| MCULE-9911817189 |
0.62 |
COCC1=C(C(O)=O)C(C)=C2C(C=CC=C2)=N1
|
|
| MCULE-8290527317 |
0.62 |
CC1CC2=C(NC3=C2C=C(C(OCC2=CC=C(C#N)C=C2)=O)C=C3)CC1
|
|
| MCULE-7355387209 |
0.62 |
CC(C(C1C2=C(C=CC=C2)NC=1)=O)OC(C1NC2=C(C=CC=C2)C=1)=O
|
|
| MCULE-2965934258 |
0.62 |
OC(C1=C(C2CC2)C=C2C(C=CC=C2)=N1)=O.Cl
|
|
| MCULE-2515107489 |
0.62 |
CCOCCOC(C1=CC2=C(NC3=C2CCCC3)C=C1)=O
|
|
| MCULE-4008853480 |
0.62 |
N1C2=C(C=CC=C2C=C1C(OCC)=O)C(C)C
|
|
| MCULE-2283381165 |
0.62 |
NC(C1=CC(COC(C2=C3C(C4=C(N3)CCCC4)=CC=C2)=O)=CC=C1)=O
|
|
| MCULE-1359184729 |
0.62 |
C12C(CCCCC=1C1=C(C=CC(C)=C1)N2)O
|
|
| MCULE-1997639726 |
0.62 |
N1C2=C(C=CC(C(O)=O)=C2)C(C2CCCCC2)=C1
|
|
| MCULE-3014478371 |
0.62 |
C1(C(OCC)=O)NC2C(=CC(=CC=2)CC)C=1C=O
|
|
| MCULE-2463431213 |
0.62 |
C1(=CNC(C(OC)=O)=C1)C(=O)C1CC1
|
|
| MCULE-6535101564 |
0.62 |
C1(C(C(C)Br)=O)C2=CC=C(C=C2NC=1C)C
|
|
| MCULE-5671321964 |
0.62 |
COC(C1=CC=C(COC(CCCC2C3=C(C=CC=C3)NC=2)=O)C=C1)=O
|
|
| MCULE-1330766262 |
0.62 |
COC(C1=CC=C(CN(C(C2=CC3=C(NC4=C3CC(C)CC4)C=C2)=O)C)C=C1)=O
|
|
| MCULE-2811209422 |
0.62 |
CCCC(C(C(C1C2=C(C=CC=C2)NC=1C)=O)C#N)=O
|
|
| MCULE-8096623094 |
0.62 |
C12NC3C(O)CCCC=3C1=CC=CC=2
|
|
| MCULE-2118533833 |
0.62 |
C1(C(OCC)=O)C2=CC(C)=CC3CCCN(C2=3)C=1C
|
|
| MCULE-1190449636 |
0.62 |
C1(C(OCC)=O)NC2=C(C=C(C=C2)Cl)C=1C(CCC(OCC)=O)=O
|
|
| MCULE-2327249365 |
0.62 |
C1(C(N)=O)=C(CCCC(O)=O)C2C(=CC=C(C)C=2)N1
|
|
| MCULE-2502034520 |
0.62 |
C12=C(C=CC=C1C(N)=O)C1=C(CCCC1)N2
|
|
| MCULE-9127158032 |
0.62 |
C12C(CCCCC=1C1=C(C=CC(C3CCCCC3)=C1)N2)O
|
|
| MCULE-9199326451 |
0.62 |
OC(C1NC2=CC=CC(C3CC3)=C2C=1)=O
|
|
| MCULE-2488661517 |
0.62 |
CCCCC1=CC=C(C(=O)O)N=C1
|
|
| MolPort-006-828-659 |
0.62 |
CC(Br)C(=O)C1=C(C)NC2=CC(C)=CC=C12
|
|
| MolPort-004-152-057 |
0.62 |
COC(=O)C1=CC=C(COC(=O)CCCC2=CNC3=CC=CC=C23)C=C1
|
|
| MolPort-005-775-634 |
0.62 |
COC(=O)C1=CC=C(CN(C)C(=O)C2=CC=C3NC4=C(CC(C)CC4)C3=C2)C=C1
|
|
| MolPort-002-745-802 |
0.62 |
OC1CCCC2=C1NC1=CC=CC=C21
|
|
| MolPort-030-007-641 |
0.62 |
CCCC(=O)C(C#N)C(=O)C1=C(C)NC2=CC=CC=C12
|
|
| MolPort-007-582-703 |
0.62 |
CCOC(=O)CCC(=O)C1=C(NC2=CC=C(Cl)C=C12)C(=O)OCC
|
|
| MolPort-002-236-743 |
0.62 |
CCOC(=O)C1=C(C)N2CCCC3=C2C1=CC(C)=C3
|
|
| MolPort-002-324-057 |
0.62 |
OC1CCCCC2=C1NC1=CC=C(C=C21)C1CCCCC1
|
|
| MolPort-046-680-423 |
0.62 |
CC1=CC=C2NC(C(N)=O)=C(CCCC(O)=O)C2=C1
|
|
| MolPort-001-910-631 |
0.62 |
NC(=O)C1=C2NC3=C(CCCC3)C2=CC=C1
|
|
| MolPort-000-771-555 |
0.62 |
CCCC1=C(S)C2=CC(=CC=C2N=C1C)C(O)=O
|
|
| MolPort-000-698-191 |
0.62 |
CC1CC2(CCCCC2)C2=CC=C3C=C(C)NC3=C12
|
|
| MolPort-001-787-743 |
0.62 |
CCCCC1=CN=C(C=C1)C(O)=O
|
|
| MolPort-026-049-163 |
0.62 |
OC(=O)C1=CC2=C(C=CC=C2N1)C1CC1
|
|
| MolPort-005-852-857 |
0.62 |
CN1C(C)=CC(C(=O)COC(=O)C2=CC=C3NC4=C(CCCC4)C3=C2)=C1C
|
|
| MolPort-020-007-365 |
0.62 |
CC1=C(CCC(O)=O)C2=CC=CN=C2N1
|
|
| MolPort-005-939-285 |
0.62 |
COC(=O)C1=CC=C2NC=C(C(C)=O)C2=C1
|
|
| MolPort-007-019-622 |
0.62 |
CC(OC(=O)C1=CC2=NC(C)=C(C)N=C2C=C1)C(=O)C1=C(C)NC2=CC=CC=C12
|
|
| MolPort-005-306-631 |
0.62 |
CCOC(=O)C1=CC=C2NC3=C(CCCC3C#N)C2=C1
|
|
| MolPort-000-901-144 |
0.62 |
COC1=CC=C2NC(C(O)=O)=C(CCC(O)=O)C2=C1
|
|
| MolPort-027-690-561 |
0.62 |
CC1=C(C(=O)C(C#N)C(=O)C2=CC=C(C=C2)N2C=CC=C2)C2=CC=CC=C2N1
|
|
| MolPort-009-446-905 |
0.62 |
COCC1=NC2=CC=CC=C2C(C)=C1C(O)=O
|
|
| MolPort-020-060-974 |
0.61 |
CC1=C(C(=O)C(C#N)C(=O)C2CCC2)C2=CC=CC=C2N1
|
|
| MolPort-009-023-419 |
0.61 |
CC(OC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1)C(N)=O
|
|
| MolPort-027-697-527 |
0.61 |
CC1CC1C(=O)C(C#N)C(=O)C1=C(C)NC2=CC=CC=C12
|
|
| MolPort-004-208-125 |
0.61 |
CC(OC(=O)C1=C(C)C(C(C)=O)=C(C)N1)C(=O)C1=C(C)NC2=CC=CC=C12
|
|
| MolPort-002-017-799 |
0.61 |
CC(=O)C1=CC=C2NC(C(O)=O)=C(C)C2=C1
|
|
| MolPort-046-415-626 |
0.61 |
COC(=O)C1=NC=CC=C1CCC(O)=O
|
|
| MolPort-009-594-231 |
0.61 |
CC1CCC2=C(C1)C1=CC(=CC=C1N2)C(=O)OCC(=O)C1=CC=CC=C1
|
|
| MolPort-009-560-938 |
0.61 |
CC1=C(C(=O)C(C#N)C(=O)C2CC2)C2=CC=CC=C2N1
|
|
| MolPort-004-187-949 |
0.61 |
O=C(OCC1=CC=CC=N1)C1=C2CCCC2=NC2=CC=CC=C12
|
|
| MolPort-002-511-386 |
0.61 |
CCCC1=NC2=C(C(O)CC(C)(C)C2)C2=C1C1=C(N2)C=CC=C1
|
|
| MolPort-027-806-859 |
0.61 |
COC(=O)CC(=O)C1=CNC2=CC=C(C)C=C12
|
|
| MolPort-000-224-527 |
0.61 |
CC1=C(C(=O)CC#N)C2=CC=CC=C2N1
|
|
| MolPort-005-818-207 |
0.61 |
CC1CCC2=C(C1)C1=CC(=CC=C1N2)C(=O)OCC(=O)C1=C(C)NC2=CC=CC=C12
|
|
| MolPort-042-683-164 |
0.61 |
OC(=O)C1=CC=C(C=N1)C1CCC1
|
|
| MolPort-044-181-431 |
0.61 |
[Ca++].CCCCC1=CN=C(C=C1)C([O-])=O.CCCCC1=CN=C(C=C1)C([O-])=O
|
|
| MolPort-001-555-613 |
0.61 |
CC1=CC=C2N=C3CCCCC3=C(C(O)=O)C2=C1
|
|
| MolPort-004-173-812 |
0.61 |
CC(OC(=O)C1=CC=CC(C)=C1)C(=O)C1=C(C)NC2=CC=CC=C12
|
|
| MolPort-009-993-594 |
0.61 |
COC(=O)C1=C2CCCCC2=NC2=CC=C(C)C=C12
|
|
| MolPort-001-838-680 |
0.61 |
CC1=CC(C)=C2NC(C(O)=O)=C(CCN)C2=C1
|
|
| MolPort-004-353-896 |
0.61 |
CCCC1=NC2=CC=C(C)C=C2C(C(O)=O)=C1CC
|
|
| MolPort-002-508-451 |
0.61 |
O=C(CCC1=CNC2=CC=CC=C12)C1=CC=CC=C1
|
|
| MolPort-016-583-484 |
0.61 |
CC1=C(CCC(N)=O)C2=CC(C)=CC=C2N1
|
|
| MCULE-2466526215 |
0.61 |
CC(C(C1C2=C(C=CC=C2)NC=1C)=O)OC(C1=C(C)C(C(C)=O)=C(C)N1)=O
|
|
| MCULE-5157584094 |
0.61 |
CC(C(N)=O)OC(C1=CC2=C(NC3=C2CCCC3)C=C1)=O
|
|
| MCULE-3083156036 |
0.61 |
CC1CC2=C(NC3=C2C=C(C(OCC(C2=CC=CC=C2)=O)=O)C=C3)CC1
|
|
| MCULE-9318481962 |
0.61 |
CC1=C(C(C(C(C2CCC2)=O)C#N)=O)C2=C(C=CC=C2)N1
|
|
| MCULE-7368951419 |
0.61 |
COC(C1=C(CCC(O)=O)C=CC=N1)=O
|
|
| MCULE-7448946134 |
0.61 |
CC1C(C(C(C(C2C3=C(C=CC=C3)NC=2C)=O)C#N)=O)C1
|
|
| MCULE-5053946443 |
0.61 |
CC1=C(C(C(C(C2CC2)=O)C#N)=O)C2=C(C=CC=C2)N1
|
|
| MCULE-4178059478 |
0.61 |
C1(C(O)=O)=C(C)C2C(=CC=C(C(C)=O)C=2)N1
|
|
| MCULE-7080552255 |
0.61 |
O=C(C1=C2C(C=CC=C2)=NC2=C1CCC2)OCC1=NC=CC=C1
|
|
| MCULE-6957774053 |
0.61 |
C1=C(C)C=CC2NC=C(C(=O)CC(=O)OC)C1=2
|
|
| MCULE-5672345295 |
0.61 |
CC1=C2C(C=CC=C2)=NC2=C1C(CCC2)=O
|
|
| MCULE-7231587079 |
0.61 |
CC1CC2=C(NC3=C2C=C(C(OCC(C2C4=C(C=CC=C4)NC=2C)=O)=O)C=C3)CC1
|
|
| MCULE-7189085340 |
0.61 |
CC1=C(C(CC#N)=O)C2=C(C=CC=C2)N1
|
|
| MCULE-7513324801 |
0.61 |
CC(C(C1C2=C(C=CC=C2)NC=1C)=O)OC(C1=CC(C)=CC=C1)=O
|
|
| MCULE-3632000878 |
0.61 |
C1(C(O)=O)=C(C)C2=CC=CC=C2N=C1C1CC1
|
|
| MCULE-9415279583 |
0.61 |
N1C2C=CC=CC=2C(CCC(C2C=CC=CC=2)=O)=C1
|
|
| MCULE-6667832726 |
0.61 |
C1(C(O)=O)=C(CCN)C2=C(C(C)=CC(C)=C2)N1
|
|
| MCULE-5217485128 |
0.61 |
C1(C(O)=O)C(CC)=C(CCC)N=C2C=CC(C)=CC=12
|
|
| MCULE-5262930278 |
0.61 |
CCC1=C2C(C(=C(N2)C)CO)=CC=C1
|
|
| MCULE-1356355845 |
0.61 |
CC1NC2C=CC=CC=2C=1C1CCN(C(CCC2C=CC(C(=O)O)=CC=2)=O)CC1
|
|
| MCULE-1298975123 |
0.61 |
C1(C(=O)C2C3=CC=CC=C3NC=2)C(O1)C1C=CC=CC=1
|
|
| MCULE-4349893901 |
0.61 |
C12=CC(C(OCC)=O)=CC=C1NC1=C2CCOC1=O
|
|
| MCULE-2587955261 |
0.61 |
N1=C2CCCCC2=C(C2C=C(C)C=C(C)C=21)C(O)=O
|
|
| MCULE-2971610625 |
0.61 |
C1(CCC(N)=O)C2C=C(C)C=CC=2NC=1C
|
|
| MCULE-4237567663 |
0.61 |
C12C(=O)CCC=1C1=C(C=CC=C1)N2
|
|
| MCULE-1842515202 |
0.61 |
N1C2=CC=C(C=C2C2CCCCC=21)C(C)=O
|
|
| MCULE-1851684926 |
0.61 |
CC([C@H]1C(C)(C)[C@@H](C(C(C(C2C3=C(C=CC=C3)NC=2C)=O)C#N)=O)C1)=O
|
|
| MCULE-6728280498 |
0.61 |
C12C(CCCC=1C1=C(C(C)=CC(C)=C1)N2)=O
|
|
| MCULE-2157412879 |
0.61 |
C1(CCC(O)=O)C2=CC=CC=C2NC=1C
|
|
| MCULE-7181141396 |
0.61 |
C12C(C)=NC3=C(C(CCC3)=O)C=1C1=C(C=CC=C1)N2
|
|
| MCULE-2584813696 |
0.61 |
C1(C(OC)=O)NC2C(=CC=C(C)C=2)C=1C=O
|
|
| MCULE-9799457522 |
0.61 |
C1(C(OCC)=O)=CC2C(=CC=C(CCCC)C=2)N1
|
|
| MCULE-8412234358 |
0.61 |
NC(C1=CC=C(COC(CCCC2C3=C(C=CC=C3)NC=2)=O)C=C1)=O
|
|
| MCULE-1251979596 |
0.61 |
C1(C(O)=O)=C2C=CC=CC2=NC2CCCC1=2
|
|
| MCULE-9124169801 |
0.61 |
C12C(CCCC=1C1=C(C=CC(C(C)(C)C)=C1)N2)=O
|
|
| MCULE-2168176114 |
0.61 |
C12C(CCCC=1C1=C(C=CC(C(C)=O)=C1)N2)=O
|
|
| MCULE-1799815761 |
0.61 |
Cl.CC1=C2C(C=CC=C2)=NC2=C1C(CCC2)=O
|
|
| MCULE-7169137353 |
0.61 |
C12C(CCCC=1C1=C(C=CC(CC)=C1)N2)=O
|
|
| MCULE-6788319029 |
0.61 |
C1=C2NC3C(=O)CCCC=3C2=CC(C)=C1
|
|
| MCULE-1715164991 |
0.61 |
C12C(CCCC=1C1=C(C=CC(C(C)C)=C1)N2)=O
|
|
| MCULE-6761190519 |
0.61 |
CC1=C2C(C=CC=C2)=NC2=C1C(CC(C2)(C)C)=O
|
|
| MCULE-5325278513 |
0.61 |
C12C([H])(CCCC=1C1=C(C=CC(=C1)C(F)(F)F)N2)O
|
|
| MCULE-2217652223 |
0.61 |
C12CC(CCC=1N=C1C(C=C(C=C1)C)=C2C(O)=O)C(C)(C)C
|
|
| MCULE-7486703735 |
0.61 |
C1(C(OC)=O)C2=CC=CC=C2N=C2CCCC=12
|
|
| MCULE-6349701207 |
0.61 |
N1C2=CC=C(C=C2C(CCN)=C1C)C(O)=O
|
|
| MCULE-6725055658 |
0.61 |
C1(C(OC)=O)=C(C)C2C(=C(C)C=CC=2)N1
|
|
| MCULE-7557925277 |
0.61 |
N1=CC(CCCCC)=CC=C1C(O)=O
|
|
| MCULE-9091889191 |
0.61 |
C1(C(C)(C)C)C=C2NC(C(OC)=O)=CC2=C(C(=O)OC)C=1
|
|
| MCULE-9467933839 |
0.61 |
N1C2C=C(C)C=C(C)C=2C2CCCCC1=2
|
|
| MCULE-5870079686 |
0.61 |
COC(C1NC=C(C(C2CCC2)=O)C=1)=O
|
|
| MCULE-1304955328 |
0.61 |
C1=CC(C(=O)C2C=CC=CC=2)=CC2=C(C(OCC)=O)C=C(C(=O)OCC)N12
|
|
| MCULE-8337490313 |
0.61 |
C12C(CCCC=1NC1C=CC(=CC2=1)C(F)(F)F)=O
|
|
| MCULE-4270785214 |
0.61 |
N1C2CCCCCCCCCCC=2C(=C2C=CC=C(C)C=12)C(O)=O
|
|
| MCULE-8422423715 |
0.61 |
CC(C(C1C2=C(C=CC=C2)NC=1C)=O)OC(C1=C(N)C(C)=CC=C1)=O
|
|
| MCULE-8914700052 |
0.61 |
C1(C(CCC)=O)C2C=CC=CC=2NC=1
|
|
| MCULE-3886024764 |
0.61 |
C1(C(C)=O)C2=CC=C(C=C2NC=1C)C
|
|
| MCULE-7426484095 |
0.61 |
C1(C2=CC=CC=C2NC=1)C(=O)CC(C)C
|
|
| MCULE-6967548304 |
0.61 |
CCOCC1=C(CNC(C2=CC3=C(NC4=C3CCCC4)C=C2)=O)C=CC=C1
|
|
| MCULE-1710293872 |
0.61 |
COC(C1=CC2=C(C(NC(=N2)COC(CCCC2C3=C(C=CC=C3)NC=2)=O)=O)C=C1)=O
|
|
| MCULE-4120759899 |
0.61 |
N1C2=C(CC)C=CC=C2C=C1C(O)=O
|
|
| MCULE-1150763532 |
0.61 |
O=C(O)C1=CC2C=CC=C(C(C)C)C=2N1
|
|
| MCULE-6438642732 |
0.61 |
C1(C(OC)=O)=CC2C(=CC(=CC=2)C(C)C)N1
|
|
| MCULE-6494554122 |
0.61 |
C1(C(O)=O)=C(C)C2=C(C=CC(C(C)C)=C2)N1
|
|
| MCULE-1987573285 |
0.61 |
C1(C(OC)=O)=CC2C(=CC(=CC=2)CC)N1
|
|
| MCULE-9325883060 |
0.61 |
C1(C(O)=O)=C(C)C2=C(C=CC(CC)=C2)N1
|
|
| MCULE-3151082347 |
0.61 |
C1(C(OC)=O)=CC2C(=CC(=CC=2)C(C)(C)C)N1
|
|
| MolPort-008-348-421 |
0.61 |
O=C1CCC2=C1NC1=CC=CC=C21
|
|
| MolPort-002-125-354 |
0.61 |
CC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1
|
|
| MolPort-038-962-520 |
0.61 |
CC(=O)[C@@H]1C[C@H](C(=O)C(C#N)C(=O)C2=C(C)NC3=CC=CC=C23)C1(C)C
|
|
| MolPort-002-089-571 |
0.61 |
CC1=CC(C)=C2NC3=C(CCCC3=O)C2=C1
|
|
| MolPort-000-004-792 |
0.61 |
CC1=C(CCC(O)=O)C2=CC=CC=C2N1
|
|
| MolPort-002-508-863 |
0.61 |
CC1=NC2=C(C3=C1NC1=C3C=CC=C1)C(=O)CCC2
|
|
| MolPort-002-513-929 |
0.61 |
CC1=[NH+]C2=C(C3=C1NC1=C3C=CC=C1)C(=O)CCC2
|
|
| MolPort-000-148-010 |
0.61 |
CCCCC1=CC=C2NC(=CC2=C1)C(=O)OCC
|
|
| MolPort-000-697-673 |
0.61 |
CC1=CC=C2NC3=C(CCCC3=O)C2=C1
|
|
| MolPort-028-812-843 |
0.61 |
Cl.CC1=C2C(=O)CCCC2=NC2=CC=CC=C12
|
|
| MolPort-000-464-795 |
0.61 |
OC(=O)C1=C2CCCC2=NC2=CC=CC=C12
|
|
| MolPort-001-898-252 |
0.61 |
CC(=O)C1=CC=C2NC3=C(CCCC3=O)C2=C1
|
|
| MolPort-001-913-522 |
0.61 |
CC(C)C1=CC=C2NC3=C(CCCC3=O)C2=C1
|
|
| MolPort-009-652-433 |
0.61 |
CCC1=CC=C2NC3=C(CCCC3=O)C2=C1
|
|
| MolPort-001-939-194 |
0.61 |
CC(C)(C)C1=CC=C2NC3=C(CCCC3=O)C2=C1
|
|
| MolPort-005-694-773 |
0.61 |
NC(=O)C1=CC=C(COC(=O)CCCC2=CNC3=CC=CC=C23)C=C1
|
|
| MolPort-001-555-614 |
0.61 |
CC1=CC=C2N=C3CCC(CC3=C(C(O)=O)C2=C1)C(C)(C)C
|
|
| MolPort-009-022-659 |
0.61 |
COC(=O)C1=C2CCCC2=NC2=CC=CC=C12
|
|
| MolPort-001-959-948 |
0.61 |
OC1CCCC2=C1NC1=CC=C(C=C21)C(F)(F)F
|
|
| MolPort-000-147-332 |
0.61 |
CC1=C(CCN)C2=CC(=CC=C2N1)C(O)=O
|
|
| MolPort-000-825-124 |
0.61 |
CCCCCC1=CN=C(C=C1)C(O)=O
|
|
| MolPort-006-067-765 |
0.61 |
COC(=O)C1=C(C)C2=CC=CC(C)=C2N1
|
|
| MolPort-046-675-799 |
0.61 |
COC(=O)C1=CC(=CN1)C(=O)C1CCC1
|
|
| MolPort-006-779-957 |
0.61 |
CC1=CC(C)=C2C(NC3=C2CCCC3)=C1
|
|
| MolPort-009-230-294 |
0.61 |
CC(OC(=O)C1=CC=CC(C)=C1N)C(=O)C1=C(C)NC2=CC=CC=C12
|
|
| MolPort-046-600-592 |
0.61 |
FC(F)(F)C1=CC=C2NC3=C(C2=C1)C(=O)CCC3
|
|
| MolPort-001-552-506 |
0.61 |
CC1=C2N=C3CCCCCCCCCCC3=C(C(O)=O)C2=CC=C1
|
|
| MolPort-001-788-756 |
0.61 |
CCCC(=O)C1=CNC2=CC=CC=C12
|
|
| MolPort-000-149-097 |
0.61 |
CCC1=C2NC(=CC2=CC=C1)C(O)=O
|
|
| MolPort-004-503-165 |
0.61 |
COC(=O)C1=CC=C2C(=O)NC(COC(=O)CCCC3=CNC4=CC=CC=C34)=NC2=C1
|
|
| MolPort-009-284-454 |
0.61 |
CCOCC1=CC=CC=C1CNC(=O)C1=CC=C2NC3=C(CCCC3)C2=C1
|
|
| MolPort-002-922-655 |
0.61 |
CCOC(=O)C1=C(CCC(O)=O)C2=CC(=CC=C2N1)[N+]([O-])=O
|
|
| MolPort-022-573-940 |
0.61 |
CC(C)C1=CC=C2NC(C(O)=O)=C(C)C2=C1
|
|
| MolPort-022-571-936 |
0.61 |
CCC1=CC=C2NC(C(O)=O)=C(C)C2=C1
|
|
| MolPort-000-004-427 |
0.61 |
CC(C)C1=C2NC(=CC2=CC=C1)C(O)=O
|
|
| MolPort-008-269-621 |
0.61 |
CC(=O)C1=C(C)NC2=CC(C)=CC=C12
|
|
| MolPort-000-148-700 |
0.61 |
COC(=O)C1=CC2=CC=C(C=C2N1)C(C)(C)C
|
|
| MolPort-002-941-466 |
0.61 |
CC(C)CC(=O)C1=CNC2=CC=CC=C12
|
|
| MolPort-002-720-723 |
0.60 |
CC1=CC=C2NC(C(O)=O)=C(CCN)C2=C1
|
|
| MolPort-002-944-734 |
0.60 |
CCOC(=O)C1=C(C)N2CCCC3=C2C1=CC=C3
|
|
| MolPort-002-611-956 |
0.60 |
CCOC(=O)C1=C(CC#N)C2=CC(CC3=CC=C4NC(C(=O)OCC)=C(CC#N)C4=C3)=CC=C2N1
|
|
| MolPort-002-883-555 |
0.60 |
COC(=O)C1=CC(=CN1)C(=O)CC1=CC=CC=C1
|
|
| MolPort-002-134-173 |
0.60 |
CN1C2=CC=C(C)C=C2C2=C1C(O)CCC2
|
|
| MolPort-002-511-805 |
0.60 |
CN1C2=CC=C(C)C=C2C2=C1[C@H](O)CCC2
|
|
| MolPort-000-774-188 |
0.60 |
CCOC(=O)C1=C(CC#N)C2=CC=CC=C2N1
|
|
| MolPort-003-996-682 |
0.60 |
CCOC(=O)C1=C(C)C(C(=O)C(F)(F)F)=C2C=CC=CN12
|
|
| MolPort-000-717-325 |
0.60 |
[Cl-].CC1=[NH+]C2=C(C3=C1NC1=C3C=CC=C1)C(=O)CCC2
|
|
| MolPort-001-944-969 |
0.60 |
CCOC(=O)C1=CC=C2N=C(C)C(CCC(C)=O)=C(Cl)C2=C1
|
|
| MolPort-000-302-748 |
0.60 |
OC1(C(=O)C2=CC=CC=C2C1=O)C1=CNC2=CC=CC=C12
|
|
| MolPort-004-020-414 |
0.60 |
Cl.CC1=C2C(=O)CC(C)(C)CC2=NC2=CC=CC=C12
|
|
| MolPort-001-893-225 |
0.60 |
CCCCCCCC1=CN=C(C=C1)C(O)=O
|
|
| MolPort-000-149-104 |
0.60 |
CC(C)CC1=CC=C2C=C(NC2=C1)C(O)=O
|
|
| MolPort-002-933-032 |
0.60 |
CC(=O)C1=C(C)N2CCCC3=C2C1=CC=C3
|
|
| MolPort-002-241-631 |
0.60 |
Cl.CC1=C(CCN)C2=CC(=CC=C2N1)C(O)=O
|
|
| MolPort-000-712-851 |
0.60 |
CC(=O)C1=C(C(O)=O)C2=CC=CC=C2N=C1C
|
|
| MolPort-002-509-018 |
0.60 |
CCCCCCC1=CN=C(C=C1)C(O)=O
|
|
| MolPort-000-703-061 |
0.60 |
O=C1CCCC2=C1C1=CC=CC=C1N2
|
|
| MolPort-005-910-415 |
0.60 |
COC(=O)C1=CC(N)=C(CC(C2=CNC3=CC(=CC=C23)C(=O)OC)C2=CNC3=CC(=CC=C23)C(=O)OC)C=C1
|
|
| MolPort-000-777-923 |
0.60 |
O=C(CC(C1C(=O)C2=CC=CC=C2C1=O)C1=CNC2=CC=CC=C12)C1=CC=CC=C1
|
|
| MolPort-006-029-249 |
0.60 |
CC(OC(=O)C1=CC(C)=NC2=CC=CC=C12)C(=O)C1=CNC2=CC=CC=C12
|
|
| MolPort-001-001-468 |
0.60 |
CC1=C2N=C3CCCCCC3=C(C(O)=O)C2=CC=C1
|
|
| MolPort-042-644-678 |
0.60 |
CCOC(=O)C1=CC=C2NC(C)=C(CCC(C)=O)C(=O)C2=C1
|
|
| MolPort-004-043-922 |
0.60 |
CC(=O)C1=C(C)NC(C(=O)OC(C(=O)C2=CNC3=CC=CC=C23)C2=CC=CC=C2)=C1C
|
|
| MolPort-009-236-700 |
0.60 |
CCOC(=O)C1=C(C)NC(C(=O)OC(C)C(=O)C2=CNC3=CC=CC=C23)=C1C
|
|
| MolPort-027-677-186 |
0.60 |
CC1CCC2=C(C1)C1=CC=CC(C(=O)OCC3=NC=C(Cl)N3C)=C1N2
|
|
| MolPort-001-886-277 |
0.60 |
CC1=NC2=C(C3=C1NC1=C3C=CC=C1)C(=O)CC(C)(C)C2
|
|
| MolPort-003-836-438 |
0.60 |
O=C(C1CC1)C1=CNC2=CC=CC=C12
|
|
| MolPort-001-905-784 |
0.60 |
CC(=O)C1=CC=C2NC(C(O)=O)=C(CCN)C2=C1
|
|
| MolPort-006-067-812 |
0.60 |
CC(CBr)C(=O)C1=C(C)N(C)C2=CC=C(C)C=C12
|
|
| MolPort-002-017-493 |
0.60 |
CC1=C(NC2=C(C)C=CC(C)=C12)C(O)=O
|
|
| MolPort-002-514-352 |
0.60 |
CC1=[NH+]C2=C(C3=C1NC1=C3C=CC=C1)C(=O)CC(C)(C)C2
|
|
| MCULE-2327818077 |
0.60 |
C1(C(O)=O)=C(CCN)C2C(=CC=C(C)C=2)N1
|
|
| MCULE-6281716432 |
0.60 |
C1(C(=O)CC2C=CC=CC=2)=CNC(C(OC)=O)=C1
|
|
| MCULE-1189212095 |
0.60 |
C1(C(OCC)=O)=C(CC#N)C2=C(C=CC=C2)N1
|
|
| MCULE-8252697678 |
0.60 |
C1=C(N(=O)=O)C=CC2NC(C)=C(C(=O)CC(=O)OC)C1=2
|
|
| MCULE-3979805497 |
0.60 |
C1(C(OCC)=O)=C(CC#N)C2=C(C=CC(CC3C=CC4=C(C=3)C(CC#N)=C(N4)C(OCC)=O)=C2)N1
|
|
| MCULE-3940401258 |
0.60 |
C1(C(OCC)=O)=C(CC)C2=C(C=CC(=C2)N(=O)=O)N1
|
|
| MCULE-2686684392 |
0.60 |
N1(C)C2C=CC(=CC=2C2CCCC(O)C1=2)C
|
|
| MCULE-3383141575 |
0.60 |
N1(C)C2C=CC(=CC=2C2CCC[C@@]([H])(O)C1=2)C
|
|
| MCULE-7002230574 |
0.60 |
C1(C(OCC)=O)C2=CC=CC3CCCN(C2=3)C=1C
|
|
| MCULE-8796594718 |
0.60 |
CCOC(C1N2C(C=CC=C2)=C(C(C(F)(F)F)=O)C=1C)=O
|
|
| MCULE-3353190612 |
0.60 |
C12C(C)=[NH+]C3=C(C(CCC3)=O)C=1C1C(=CC=CC=1)N2.[Cl-]
|
|
| MCULE-2784826370 |
0.60 |
C1(O)(C(=O)C2=C(C=CC=C2)C1=O)C1C2C=CC=CC=2NC=1
|
|
| MCULE-1396931306 |
0.60 |
CC1=C2C(C=CC=C2)=NC2=C1C(CC(C2)(C)C)=O.Cl
|
|
| MCULE-5723262478 |
0.60 |
C12C=C(C=CC=1N=C(C(CCC(C)=O)=C2Cl)C)C(OCC)=O
|
|
| MCULE-4322671241 |
0.60 |
C1(C(O)=O)=CC2C(=CC(=CC=2)CC(C)C)N1
|
|
| MCULE-9060407000 |
0.60 |
C1(C(O)=O)C2C=CC=CC=2N=C(C)C=1C(C)=O
|
|
| MCULE-9420084443 |
0.60 |
N1=CC(CCCCCC)=CC=C1C(O)=O
|
|
| MCULE-5576411828 |
0.60 |
Cl.N1C2C=CC(=CC=2C(CCN)=C1C)C(O)=O
|
|
| MCULE-8883910720 |
0.60 |
C1(C(CC(C2=CC=CC=C2)=O)C2C3C=CC=CC=3NC=2)C(=O)C2=C(C=CC=C2)C1=O
|
|
| MCULE-5770739608 |
0.60 |
N1=CC(CCCCCCC)=CC=C1C(O)=O
|
|
| MCULE-1851720499 |
0.60 |
C12C(CCCC=1NC1C=CC=CC2=1)=O
|
|
| MCULE-7932043704 |
0.60 |
C1(C2C=CC(=CC=2NC=1)C(OC)=O)C(CC1C=CC(=CC=1N)C(OC)=O)C1C2C=CC(=CC=2NC=1)C(OC)=O
|
|
| MCULE-3160619322 |
0.60 |
N12CCCC3C=CC=C(C(C(C)=O)=C1C)C2=3
|
|
| MCULE-3384693872 |
0.60 |
CC(C(C1C2=C(C=CC=C2)NC=1)=O)OC(C1=C2C(C=CC=C2)=NC(C)=C1)=O
|
|
| MCULE-1030846881 |
0.60 |
N1C2CCCCCC=2C(=C2C=CC=C(C)C=12)C(O)=O
|
|
| MCULE-2891586983 |
0.60 |
CCOC(C1C(C)=C(C(OC(C(C2C3=C(C=CC=C3)NC=2)=O)C)=O)NC=1C)=O
|
|
| MCULE-9164733586 |
0.60 |
CC(C1C(C)=C(C(OC(C2=CC=CC=C2)C(C2C3=C(C=CC=C3)NC=2)=O)=O)NC=1C)=O
|
|
| MCULE-4977906827 |
0.60 |
CC1CC2=C(NC3=C2C=CC=C3C(OCC2N(C)C(Cl)=CN=2)=O)CC1
|
|
| MCULE-2830091918 |
0.60 |
C12C(C)=NC3=C(C(=O)CC(C)(C)C3)C=1C1=C(C=CC=C1)N2
|
|
| MCULE-7748463951 |
0.60 |
CC1NC2C=CC=CC=2C=1C1CCN(C(CCC2C=CC=CC=2C(=O)O)=O)CC1
|
|
| MCULE-5644895442 |
0.60 |
C12CCCCC=1C(=NC=C2C=O)C
|
|
| MCULE-9789622720 |
0.60 |
C12=C(C)C=CC(C)=C1NC(C(=O)O)=C2C
|
|
| MCULE-4892886047 |
0.60 |
C1(C2=CC=CC=C2NC=1)C(=O)C1CC1
|
|
| MCULE-7506304424 |
0.60 |
C1(C(O)=O)=C(CCN)C2=C(C=CC(C(C)=O)=C2)N1
|
|
| MCULE-8956162254 |
0.60 |
C1(C(O)=O)=C(CC)C2=C(C=CC(=C2)N(=O)=O)N1
|
|
| MCULE-1776241756 |
0.60 |
C1(C(=O)C(C)CBr)C2=CC(C)=CC=C2N(C)C=1C
|
|
| MCULE-9451500775 |
0.60 |
COC(C1=C(COC(C2NC=C(C(C)=O)C=2)=O)N=C2C(C=CC=C2)=C1C)=O
|
|
| MCULE-6119798874 |
0.60 |
C12CC(N)CCC=1NC1=CC=C(C(O)=O)C=C21
|
|
| MCULE-2647637940 |
0.60 |
C1(C(=O)CC(C)(C)C)=C(C)NC(C(OCC)=O)=C1C
|
|
| MCULE-3393193417 |
0.60 |
C1(C(OCC)=O)NC(=C(C(CCC)=O)C=1C)C
|
|
| MCULE-4147429157 |
0.60 |
C1(C(=O)CC(C)C)=C(C)NC(C(OCC)=O)=C1C
|
|
| MCULE-9596386682 |
0.60 |
C1(C(C(C)CC)=O)=C(C)NC(C(OCC)=O)=C1C
|
|
| MCULE-6910131018 |
0.60 |
C12C(CCCC=1C1=C(C=CC(=C1)C13CC4CC(CC(C4)C1)C3)N2)=O
|
|
| MCULE-7820109940 |
0.60 |
C12C(CCCC=1C1=C(C=CC(C3C4CC5CC3CC(C5)C4)=C1)N2)=O
|
|
| MCULE-2188439252 |
0.60 |
C12=CC(=CC=C1N=C(C(CCC(C)=O)=C2Cl)C)C(O)=O
|
|
| MCULE-9748624410 |
0.60 |
C1(C2C=CC=CC=2NC=1C)C(C(O)=O)CC(=O)C1=CC=C(C=C1)C
|
|
| MCULE-8911508068 |
0.60 |
C12C(CCCC=1C1C(=CC=C(C3CCCCC3)C=1)N2)=O
|
|
| MCULE-1478919226 |
0.60 |
N1C2=CC=C(C=C2C2CCCC=21)C
|
|
| MCULE-9685134466 |
0.60 |
C1(C(C)=O)C2=CC=C(C=C2NC=1)C(OC)=O
|
|
| MCULE-5566105230 |
0.60 |
COC(C1=NC=C(C(OC(C(C2=CC(C)=C(C)C=C2)=O)C)=O)C=C1)=O
|
|
| MCULE-7347336857 |
0.60 |
CC1=C(C(C(C(C2=CC(F)=C(F)C=C2)=O)C#N)=O)C2=C(C=CC=C2)N1
|
|
| MCULE-9907083259 |
0.60 |
C1(C(C2CCCCC2)=O)=CNC(C(OC)=O)=C1
|
|
| MCULE-1525551204 |
0.60 |
C1=CC=C2N(C)C(C)=C(CCCC(=O)O)C2=C1
|
|
| MCULE-3671574754 |
0.60 |
N1C2C=CC(C(=O)O)=CC=2C(=C1C)CC1C=CC=CC=1
|
|
| MCULE-2106167140 |
0.60 |
N1=CC(C2CCCCC2)=CC=C1C(O)=O
|
|
| MCULE-2021996685 |
0.60 |
N1=CC(=CC=C1C(O)=O)C1CCC(CC1)CCCCCCC
|
|
| MCULE-8165978114 |
0.60 |
C1(C(=O)CCC2C3C=CC=CC=3N(C)C=2)C2C=CC=CC=2N(C)C=1
|
|
| MCULE-4160215634 |
0.60 |
CCC1=C2C(C3=C(N2)CCC3)=CC=C1
|
|
| MCULE-7809352288 |
0.60 |
N1C=C(C=CC=1C(O)=O)C1CCC(CC1)CCCCC
|
|
| MCULE-7947810004 |
0.60 |
C12C(Cl)=CC(Cl)=CC=1NC(C(=O)OCC)=C2CCC(=O)O
|
|
| MCULE-5603517252 |
0.60 |
[Cl-].C12C(C)=[NH+]C3=C(C(=O)CC(C)(C)C3)C=1C1C(=CC=CC=1)N2
|
|
| MCULE-1673319223 |
0.60 |
C1(C(=O)CC(C)C)=CN(C(C(OC)=O)=C1)C
|
|
| MCULE-8341004275 |
0.60 |
CC1=NC2=C(C(CCC2)=O)C(C)=C1
|
|
| MCULE-5393919303 |
0.60 |
C1(C2=CC=CC=C2NC=1C)C(C(C)Br)=O
|
|
