Molecule Details

CC(=O)NC(Cc1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)cc1)C(=O)NCC#CBr

Molecular Properties
SMILES:
CC(=O)NC(Cc1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)cc1)C(=O)NCC#CBr
MW: 560.452
Fraction sp3: 0.18
HBA: 5
HBD: 4
Rotatable Bonds: 10
TPSA: 108.14
cLogP: 4.4865
Covalent Warhead:
Covalent Fragment: ✔️

triple bond

Filter9_metal

Long aliphatic chain

Dipeptide

O=C(CCl)N1CCN(S(=O)(=O)c2cccs2)CC1

LON-WEI-8f408cad-3

View

CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)Oc1ccccc1CNc1nc2ccccc2[nH]1

MAK-UNK-1bb0b7ee-14
0.620

View
CC(=O)NC(Cc1ccc(Oc2ccccn2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-29
0.491

View
c1ccc(Oc2ccccc2CNc2nc3ccccc3[nH]2)nc1

MAK-UNK-1bb0b7ee-9
0.467

View
CC(=O)NC(Cc1ccc(Oc2ccccc2NC(=O)C2CCN(C(=O)CCl)CC2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-3
0.460

View
CC(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr

AAR-POS-d2a4d1df-16
0.454

View
CC(=O)NC(Cc1ccc(O[C@H](C)[C@H](NC(C)=O)C(=O)NCC#CBr)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-27
0.449

View
CC(=O)NC(Cc1ccc(OC2CS(=O)(=O)C2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-28
0.449

View
O=S1(=O)CC(Oc2ccccc2CNc2nc3ccccc3[nH]2)C1

MAK-UNK-1bb0b7ee-12
0.417

View
CC(=O)NC(Cc1ccc(OCC2(c3ccccn3)CCCC2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-30
0.413

View
O=C(Nc1ccccc1Oc1ccccc1CNc1nc2ccccc2[nH]1)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-4
0.398

View
CC1C(Oc2ccccc2CNc2nc3ccccc3[nH]2)CCCN1Cc1ccccc1

MAK-UNK-1bb0b7ee-15
0.397

View
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC#CBr

NIC-BIO-3276ca7f-2
0.391

View
CC(=O)NC(Cc1ccc(OC2CCCN(Cc3ccccc3)C2C)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-26
0.384

View
Oc1ccccc1CNc1nc2ccccc2[nH]1

AAR-POS-0daf6b7e-25
0.384

View
CC(=O)NC(Cc1ccc(OCC2CN(Cc3ccccc3)CCO2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-18
0.383

View
CC(=O)N[C@@H](Cc1c[nH]c2cccc(OC(C)=O)c12)C(=O)NCC#CBr

NIC-BIO-b40446ce-1
0.379

View
CC(=O)NC(Cc1ccc(OC2CCN(Cc3ccsc3)CC2)cc1)C(=O)NCC#CBr

MAK-UNK-a7992eb3-11
0.376

View
COc1cccc2[nH]cc(C[C@H](NC(C)=O)C(=O)NCC#CBr)c12

NIC-BIO-3276ca7f-3
0.371

View
c1ccc(OC2CCN(Cc3ccsc3)CC2)c(CNc2nc3ccccc3[nH]2)c1

MAK-UNK-a7992eb3-12
0.365

View
c1ccc(CN2CCOC(COc3ccccc3CNc3nc4ccccc4[nH]3)C2)cc1

MAK-UNK-a7992eb3-19
0.364

View
c1ccc(C2(COc3ccccc3CNc3nc4ccccc4[nH]3)CCCC2)nc1

MAK-UNK-1bb0b7ee-5
0.364

View
FC(F)c1ccccc1CNc1nc2ccccc2[nH]1

SWA-SYN-40d44a84-5
0.362

View
CC(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)NCC#CBr

NIC-BIO-7d400292-1
0.358

View
CC(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)NCC#CBr

NIC-BIO-3276ca7f-1
0.357

View
CS(=O)(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-10
0.353

View
O=c1[nH]cccc1CNc1nc2ccccc2[nH]1

SWA-SYN-40d44a84-4
0.346

View
CS(=O)(=O)NCCc1ccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)NCC#CBr)cc1

MAK-UNK-c44f4be0-14
0.336

View
CS(=O)(=O)NCC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr)c1ccccc1

MAK-UNK-c44f4be0-11
0.336

View
CS(=O)(=O)NCCc1ccccc1C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-3
0.336

View
CC(=O)NC(Cc1ccc(O)cc1S(=O)(=O)NCCc1ccccc1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-2
0.331

View
CC(=O)NC(Cc1ccc(O)c(S(=O)(=O)NCCc2ccccc2)c1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-1
0.331

View
O=C(CS(=O)(=O)NCCc1ccccc1)NC(Cc1ccc(O)cc1)C(=O)NCC#CBr

MAK-UNK-c44f4be0-8
0.331

View
O=C(NCC#CBr)C(Cc1ccc(O)cc1)NC(=O)S(=O)(=O)NCCc1ccccc1

MAK-UNK-c44f4be0-9
0.331

View
Oc1ccc(CN2CCNCC2)cc1CNc1nc2ccccc2[nH]1

MAK-UNK-1ac43cfa-1
0.320

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccc(C#N)cc1

NIC-BIO-a68395b7-2
0.315

View
CS(=O)(=O)NCCc1cccc(C(=O)NC(Cc2ccc(O)cc2)C(=O)NCC#CBr)c1

MAK-UNK-c44f4be0-4
0.312

View
CS(=O)(=O)c1ccc(CNc2nc3ccccc3[nH]2)s1

JAR-KUA-672ec752-12
0.301

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccc(Br)cc1

NIC-BIO-a68395b7-5
0.300

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccc(Cl)cc1

NIC-BIO-a68395b7-3
0.300

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(Cl)c1

NIC-BIO-a68395b7-4
0.298

View
CCN(C)CNc1nc2ccccc2[nH]1

MAK-UNK-3ae66343-2
0.295

View
CC(=O)N[C@@H](Cc1c[nH]c2cccc(OC(C)=O)c12)C(=O)NCc1ccccc1

NIC-BIO-b40446ce-2
0.286

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)Oc1ccccn1

MAK-UNK-1bb0b7ee-7
0.284

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(C(=O)CCl)CC1

NIM-UNI-ed9fc491-2
0.283

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC1CCN(C)CC1

NIC-BIO-a68395b7-1
0.282

View
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1

NIC-BIO-3276ca7f-7
0.277

View
CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C#CBr)S(=O)(=O)NCCc1ccccc1

MAK-UNK-c44f4be0-7
0.276

View
O=C(NC(Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cncnc1

MAR-TRE-9d18ae8c-20
0.274

View
O=C(Nc1nc2ccccc2[nH]1)C(CCC1CCCCC1)c1cccc(Cl)c1

ALP-POS-3fc1724e-8
0.273

View
CC(=O)NC(CC(N)=O)C(=O)NCC#CBr

AAR-POS-d2a4d1df-43
0.272

View
COc1ccc(C[C@H](NC(C)=O)C(=O)O)cc1

MAR-TRE-e86a56b5-64
0.272

View
CC(=O)NC(Cc1ccc(O)cc1)C(=O)Nc1cccc(C#N)c1

TRY-UNI-9f475305-10
0.269

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)Oc1ccccc1NC(=O)C1CCN(C(=O)CCl)CC1

MAK-UNK-a7992eb3-6
0.268

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)OCC1(c2ccccn2)CCCC1

MAK-UNK-1bb0b7ee-3
0.268

View
O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1nc2ccccc2[nH]1

ALP-POS-a30bcdb4-1
0.267

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCN1CCN(C(=O)CCl)CC1

NIM-UNI-ed9fc491-1
0.264

View
O=C1CC(Oc2cc(Cl)cc(C(CCc3ccccc3)C(=O)Nc3nc4ccccc4[nH]3)c2)N1

ALP-POS-a30bcdb4-2
0.259

View
CC(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)NCc1ccccc1

NIC-BIO-3276ca7f-4
0.258

View
CC(=O)NC(C(=O)NCC#CBr)C(c1ccc(O)cc1)S(=O)(=O)NCCc1ccccc1

MAK-UNK-c44f4be0-5
0.258

View
COC(=O)[C@H](Cc1ccc(OC)cc1)NC(C)=O

MAR-TRE-e86a56b5-83
0.257

View
CC(=O)NC(Cc1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1

TRY-UNI-9f475305-11
0.256

View
COc1cccc(C(NC(=O)Cc2cccc(Cl)c2)c2nc3ccccc3[nH]2)c1

ALP-POS-ddb41b15-9
0.256

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)OCC1CN(Cc2ccccc2)CCO1

MAK-UNK-a7992eb3-21
0.254

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)OC1CS(=O)(=O)C1

MAK-UNK-1bb0b7ee-10
0.252

View
CC(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)NCc1ccc(Cl)cc1

NIC-BIO-3276ca7f-5
0.252

View
CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=O)C(N)=O

SAL-INS-68b48d12-2
0.252

View
CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=O)C(N)=O

SAL-INS-68b48d12-6
0.252

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(c1ccccc1)N1CCN(C(=O)CCl)CC1

NIM-UNI-ed9fc491-3
0.250

View
Oc1ccccc1CN1CCN(c2nc3ccccc3[nH]2)CC1

SWA-SYN-40d44a84-1
0.248

View
CC(=O)NC(Cc1ccc(O)cc1)C(=O)NOCC(F)(F)C(F)F

VOL-CHA-d666e5ae-2
0.248

View
CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(N)=O

SAL-INS-68b48d12-12
0.246

View
CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)CN1CCCC1

VOL-CHA-d666e5ae-4
0.246

View
CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCNC(N)=O)C(N)=O

SAL-INS-68b48d12-8
0.245

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)OC1CCCN(Cc2ccccc2)C1C

MAK-UNK-1bb0b7ee-13
0.244

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

MAR-TRE-fffca54f-96
0.243

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

MAR-TRE-e86a56b5-63
0.243

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)O

MAT-POS-59e2c5d7-1
0.243

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@H](C)O

AAR-POS-d2a4d1df-42
0.243

View
CC(=O)N[C@H](C(=O)NCC#CBr)[C@@H](C)OC1CCN(Cc2ccsc2)CC1

MAK-UNK-a7992eb3-14
0.241

View
O=C(Nc1ccccc1)c1cccc2[nH]c(NCc3ccccc3O)nc12

SWA-SYN-40d44a84-3
0.240

View
CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=O)C(N)=O

SAL-INS-68b48d12-4
0.240

View
CC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)C(=O)N[C@@H](CCCNC(N)=O)C(N)=O

SAL-INS-68b48d12-10
0.239

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC(CN1CCN(C(=O)CCl)CC1)c1ccccc1

NIM-UNI-ed9fc491-4
0.239

View
Cc1ccncc1NC(=O)Cc1nc2ccccc2[nH]1

GAB-REV-70cc3ca5-9
0.238

View
COc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)O)cc1

MAR-TRE-e86a56b5-46
0.237

View
CC(=O)N[C@@H](Cc1c[nH]c2ncccc12)C(=O)NCc1cccc(Cl)c1

NIC-BIO-3276ca7f-6
0.237

View
CC(O)CNCc1nc2ccccc2[nH]1

MAK-UNK-3ae66343-1
0.236

View
O=C(O)CCc1nc2ccccc2[nH]1

MAR-TRE-ebcc4ad6-45
0.236

View
N#Cc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1

MAR-TRE-1c920f6f-65
0.236

View
COc1ccccc1CN[C@H](C(=O)Nc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ADA-UCB-6c2cb422-10
0.236

View
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccnc1

MAR-TRE-74c6519b-79
0.234

View
CC(=O)NCCc1c[nH]c2c(Cc3nc4ccccc4[nH]3)cc(F)cc12

GAB-REV-4a4e2ff3-3
0.233

View
COc1ccc(CC(Nc2cncnc2)C(=O)O)cc1

MAR-TRE-85681e92-91
0.232

View
CC(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)NCc1cccc(Cl)c1

NIC-BIO-7d400292-3
0.232

View
O=C(C(Nc1nc2ccccc2[nH]1)c1ccccc1O)N1CCN(Cc2cccs2)CC1

MAK-UNK-b1d4dcd7-1
0.232

View
CC(=O)N[C@@H](Cc1ccc(O)c(F)c1)C(=O)NCc1ccc(Cl)cc1

NIC-BIO-7d400292-2
0.231

View
CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=O)C(N)=O

SAL-INS-a5f8a8b9-2
0.231

View
COc1ccc[n+](-c2nc3ccccc3[nH]2)c1CS

MAR-TRE-143fb005-37
0.229

View
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

MAR-TRE-e86a56b5-58
0.229

View
O=C(Nc1ccccc1Sc1nc2ccccc2[nH]1)c1cncnc1

MAR-TRE-9d18ae8c-12
0.228

View
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1Oc1ccc(C)cc1

0.487

View
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1Oc1ccccc1

0.487

View
Cc1ccc(Oc2ccccc2CNC(=O)C(Cc2ccccc2)NC(N)=O)cc1

0.480

View
NC(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1Oc1ccccc1

0.472

View
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccccc1Oc1ccccc1

0.468

View
CNC(=O)C(Cc1ccccc1)NC(=O)NCc1ccccc1Oc1ccccc1

0.466

View
O=C(NCc1ccccc1Oc1ccccc1)C(O)C(O)c1nc2ccccc2[nH]1

0.461

View
CC(NC(=O)NCc1ccccc1Oc1ccccc1)c1nc2ccccc2[nH]1

0.461

View
COc1ccccc1CNc1nc2ccccc2[nH]1

0.455

View
CCC(NC(C)=O)C(=O)NCc1ccccc1Oc1ccc(F)cc1

0.452

View
COC(=O)COc1ccccc1CNc1nc2ccccc2[nH]1

0.452

View
CCC(NC(C)=O)C(=O)NCc1ccccc1Oc1ccccc1

0.451

View
CC(C)Oc1ccccc1CNc1nc2ccccc2[nH]1

0.449

View
CN(C)C(=O)COc1ccccc1CNc1nc2ccccc2[nH]1

0.446

View
CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1Oc1ccccc1

0.444

View
CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.441

View
Cc1ccc(Oc2ccccc2CNC(=O)C(Cc2c[nH]c3ccccc23)NC(N)=O)cc1

0.439

View
CC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1Oc1ccccc1

0.438

View
Cc1ccc(Oc2ccccc2CNC(=O)C(=O)NC(C)c2nc3ccccc3[nH]2)cc1

0.438

View
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(Oc2ccccc2)cc1

0.436

View
CC(NC(=O)C(=O)NCc1ccccc1Oc1ccccc1)c1nc2ccccc2[nH]1

0.436

View
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1Oc1cccc(C)c1

0.434

View
O=C(NCc1ccccc1Oc1ccccc1)NC(Cc1ccccc1)C(=O)O

0.432

View
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1

0.430

View
COc1ccccc1CNC(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O

0.429

View
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1Oc1cccc(F)c1

0.429

View
COc1ccccc1Oc1ccc(CNC(=O)C(Cc2ccccc2)NC(N)=O)cc1

0.429

View
FC(F)Oc1ccccc1CNc1nc2ccccc2[nH]1

0.429

View
O=C(COc1ccccc1CNc1nc2ccccc2[nH]1)NCC1CC1

0.429

View
COc1ccccc1CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O

0.429

View
CC(=O)NC(C(=O)NCc1ccccc1Oc1ccc(C)cc1)C(C)C

0.427

View
CC(=O)N1CCN(c2ccccc2CNc2nc3ccccc3[nH]2)CC1

0.427

View
NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1Oc1ccccc1

0.425

View
Cc1cccc(Oc2ccccc2CNC(=O)C(Cc2ccccc2)NC(N)=O)c1

0.425

View
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1Oc1ccccc1C

0.425

View
COc1ccccc1Oc1ccc(CNC(=O)NC(C)c2nc3ccccc3[nH]2)cc1

0.425

View
CC(=O)NC(C(=O)NCc1ccccc1Oc1ccccc1)C(C)C

0.425

View
CC(C)C(=O)Nc1ccc(CNc2nc3ccccc3[nH]2)cc1

0.425

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CN(C)CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.425

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CC(=O)N[C@@H](C(=O)NCc1ccccc1Oc1ccccc1)C(C)C

0.425

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CC(=O)Nc1ccc(CNc2nc3ccccc3[nH]2)cc1

0.423

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O=c1[nH]c(NCc2ccccc2Oc2ccccc2)nc2ccccc12

0.423

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CC(=O)NCc1cccc(CNc2nc3ccccc3[nH]2)c1

0.423

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COc1cccc(CNc2nc3ccccc3[nH]2)c1OC

0.423

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CC(=O)N[C@@H](C(=O)NCc1ccccc1Oc1ccc(F)cc1)C(C)C

0.421

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CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC#CCO

0.421

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CC(=O)NC(C(=O)NCc1ccccc1Oc1ccc(F)cc1)C(C)C

0.421

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COc1ccc(CNc2nc3ccccc3[nH]2)c(OC(F)F)c1

0.421

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COc1ccc(CC(C)C(=O)NNc2nc3ccccc3[nH]2)cc1

0.421

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COc1ccc(CC(NC(=O)NCc2ccccc2OC)C(=O)O)cc1

0.421

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O=C(NC(Cc1ccccc1)C(=O)NCc1ccccc1Oc1ccccc1)c1cccnc1

0.420

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CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1

0.420

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CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1Oc1ccccc1

0.420

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COc1ccccc1CNC(=O)C(Cc1ccccc1)NC(N)=O

0.419

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CC(=O)NC(C)C(=O)NCc1ccccc1Oc1ccc(C)cc1

0.419

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CC(C)(C)OC(=O)NCc1ccccc1CNc1nc2ccccc2[nH]1

0.419

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FC(F)Oc1ccc(CNc2nc3ccccc3[nH]2)c(OC(F)F)c1

0.419

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Cc1ccc(Oc2ccccc2CNC(=O)CCc2nc3ccccc3[nH]2)cc1

0.418

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CC(=O)NC(C)C(=O)NCc1ccccc1Oc1ccccc1

0.417

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NC(=O)NC(Cc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1

0.417

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CC(=O)NC(Cc1c[nH]c2cc(F)ccc12)C(=O)NCc1ccccc1Oc1ccccc1

0.417

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COc1ccc(CNc2nc3ccccc3[nH]2)c(OC)c1

0.417

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C#CCOc1ccccc1CNc1nc2ccccc2[nH]1

0.417

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COCCOc1ccccc1CNc1nc2ccccc2[nH]1

0.417

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CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(Oc2ccccc2)nc1

0.417

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NC(=O)NC(Cc1ccccc1)C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1

0.416

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Cc1ccccc1Oc1ccccc1CNC(=O)C(Cc1ccccc1)NC(N)=O

0.416

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O=C(COc1ccccc1CNc1nc2ccccc2[nH]1)N1CCCC1

0.416

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COc1ccccc1CNC(=O)NC(Cc1ccc(O)cc1)c1nc2ccccc2[nH]1

0.415

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CCC(NC(C)=O)C(=O)Nc1nc2ccccc2[nH]1

0.414

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CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(Oc2ccc(F)cc2)c(C)c1

0.414

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O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1)OCc1ccccc1

0.413

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CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1nc2ccccc2[nH]1

0.413

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COc1ccc(CC(C)C(=O)Nc2nc3ccccc3[nH]2)cc1

0.413

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CCC(NC(C)=O)C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1

0.413

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COc1cccc(CNc2nc3ccccc3[nH]2)c1OC(C)C

0.413

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O=C(NC(Cc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1)OCc1ccccc1

0.413

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CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1nc2ccccc2[nH]1

0.413

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CCC(NC(C)=O)C(=O)NCc1ccc(Oc2ccccc2OC)cc1

0.413

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COc1ccccc1CNC(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1

0.413

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O=C(NC(Cc1ccccc1)C(=O)NCc1ccccc1Oc1ccccc1)c1ccco1

0.412

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NC(=O)NC(Cc1ccccc1)C(=O)NCc1ccccc1Oc1cccc(F)c1

0.412

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CCNC(=O)c1ccc(CNc2nc3ccccc3[nH]2)cc1

0.411

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CC(=O)N[C@H](CC1CCC1)C(=O)NCc1ccccc1Oc1ccccc1

0.410

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CCC[C@@H](NC(N)=O)C(=O)NCc1ccccc1Oc1ccc(C)cc1

0.410

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CCC[C@@H](NC(N)=O)C(=O)NCc1ccccc1Oc1ccc(F)cc1

0.410

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CCOc1ccc(CC(C)C(=O)NNc2nc3ccccc3[nH]2)cc1

0.410

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COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1OC

0.410

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CNC(=O)C(Cc1ccccc1)NC(=O)NCc1ccc(Oc2ccccc2OC)cc1

0.410

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CC(=O)N[C@@H](CC(C)C)C(=O)Nc1nc2ccccc2[nH]1

0.408

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CC(=O)NC(CC(C)C)C(=O)Nc1nc2ccccc2[nH]1

0.408

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CC(=O)N[C@H](CC(C)C)C(=O)Nc1nc2ccccc2[nH]1

0.408

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FC(F)(F)Oc1ccccc1CNc1nc2ccccc2[nH]1

0.408

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CC(C)Oc1ccc(CNc2nc3ccccc3[nH]2)cc1

0.408

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CCC[C@@H](NC(N)=O)C(=O)NCc1ccccc1Oc1ccccc1

0.408

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CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1

0.408

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CC(=O)N[C@H](CC(C)C)C(=O)NCc1ccc(-c2nc3ccccc3[nH]2)cc1

0.408

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COc1ccccc1Oc1ccc(CNC(=O)[C@H](CC(C)C)NC(C)=O)cc1

0.408

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COc1ccccc1Oc1ccc(CNC(=O)[C@@H](CC(C)C)NC(C)=O)cc1

0.408

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COc1cccc(CNc2nc3ccccc3[nH]2)c1OC(F)F

0.408

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C(N1CCN(C2=NC3=C(C=CC=C3)N2)CC1)(=O)CCC1=C(OC2=CC=CC=C2)C=CC=C1

0.708

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C(NC1=NC2=C(C=CC=C2)N1)(=O)C1=C(OC2=CC=CC=C2)C=CC=C1

0.705

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