Molecule Details

COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2Cl)N1
Mcule
Molecular Properties
SMILES:
COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2Cl)N1
MW: 340.81
Fraction sp3: 0.21
HBA: 3
HBD: 2
Rotatable Bonds: 2
TPSA: 54.12
cLogP: 3.598
Covalent Warhead:
Covalent Fragment: ✔️
Source
Mcule: MCULE-1460422522

NH-Indoles

Ester

CS(=O)(=O)NCCc1ccccc1

AAR-POS-d2a4d1df-1

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CC(=O)NCCc1c[nH]c2ccc(F)cc12

AAR-POS-d2a4d1df-2

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CN1CCCc2ccc(S(N)(=O)=O)cc21

AAR-POS-d2a4d1df-4

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CCNc1ccc(C#N)cn1

AAR-POS-d2a4d1df-5

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O=C(CC1CCCCC1)Nc1cccnc1

ALE-HEI-f28a35b5-9

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

LON-WEI-8f408cad-3

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COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccccc2Cl)N1

AAR-POS-fca48359-6
1.000

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O=C(NC1CCCc2c1[nH]c1ccccc21)c1n[nH]c2c1CCC2

MAT-POS-b5746674-17
0.297

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O=C(Nc1cc(=O)[nH]c2ccccc12)[C@H]1COc2c(Cl)cccc21

FRA-DIA-0fa076fe-4
0.293

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O=C1C2Cc3c([nH]c4ccccc34)C(c3ccc(Cl)cc3)N2C(=O)CN1CCCn1ccnc1

AAR-POS-fca48359-8
0.291

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O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3)N2C(=O)CN1CCCn1ccnc1

FAR-UNI-736b943a-5
0.291

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O=C(CCS)N1CCc2c([nH]c3ccccc23)C1

MAR-UCB-195bc32d-12
0.275

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O=C(Nc1cc(=O)[nH]c2ccccc12)[C@H]1COc2c(Cl)cc(O)cc21

FRA-DIA-0fa076fe-3
0.270

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COc1ccccc1NC1CN(C(=O)c2cc(=O)[nH]c3ccccc23)C1

ERI-UCB-a0b0dbcb-8
0.269

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COc1c(Cl)cccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12

ALP-POS-3fc1724e-1
0.267

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COc1ccccc1O[C@H]1CC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc12

MAT-UCB-70f7c0f7-4
0.265

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COc1ccccc1O[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)[nH]c2ccccc12

MAT-UCB-70f7c0f7-3
0.264

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O=C(Cn1ccc2c(Cl)cccc21)N1CCc2[nH]c3ccccc3c2C1

MAT-POS-ea426761-95
0.262

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COc1ccccc1OC1CN(C(=O)c2cc(=O)[nH]c3ccccc23)C1

ERI-UCB-a0b0dbcb-9
0.257

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COc1ccccc1OCC(NC(=O)c1cc(=O)[nH]c2ccccc12)C1CC1

DAR-DIA-8e329c92-4
0.257

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O=C(CNC(=O)c1cnccn1)NC1CCCc2c1[nH]c1ccccc21

MAT-POS-b5746674-19
0.257

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O=C(Cc1cc(Cl)cc(OC2CC(=O)N2)c1)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-3b92565d-6
0.257

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CC(C)n1cc(C2c3[nH]c4ccccc4c3CCN2Cc2cnc(N3CCCC3)s2)cn1

MAT-POS-ea426761-81
0.256

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COc1ccc(Cl)cc1CC(=O)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-e1b5ac6b-2
0.255

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COc1ccc(Cl)cc1CC(=O)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-3b92565d-4
0.255

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COc1ccccc1OC1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1

ERI-UCB-a0b0dbcb-6
0.255

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COc1ccc(Cl)cc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12

ALP-POS-05819dc4-1
0.255

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O=C(COc1cccc(-n2cnnc2)c1)NC1CCCc2c1[nH]c1ccccc21

MAT-POS-b5746674-20
0.254

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O=C(Nc1ccc2c(c1)[nH]c1ccccc12)C1CCN(C(=O)CCl)CC1

LON-WEI-120e5cf5-9
0.252

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COc1ccccc1O[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccccc12

ADA-UCB-b1b30a00-2
0.252

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COc1ccccc1OCC(CC(C)C)NC(=O)c1cc(=O)[nH]c2ccccc12

DAR-DIA-8e329c92-6
0.248

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COc1ccccc1OCCC(=O)Nc1cc(=O)[nH]c2ccccc12

MAR-UCB-f313ec4d-1
0.245

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COc1cc(Cl)cc(CC(=O)Nc2cc(=O)[nH]c3ccccc23)c1

MAT-POS-3b92565d-5
0.243

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N#CCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O

MAR-TRE-a3327163-3
0.242

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O=C1CCC(Oc2cc(Cl)cc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-18
0.241

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O=C(Cn1nc2c(cc1=O)CCCCC2)NC1CCCc2c1[nH]c1ccccc21

MAT-POS-b5746674-18
0.241

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O=C(Nc1cc(=O)[nH]c2ccccc12)C1CCOc2ccc(Cl)cc21

BEN-DND-b89db3f2-1
0.241

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O=C(Nc1cc(=O)[nH]c2ccccc12)C1CCOc2ccc(Cl)cc21

FRA-DIA-e29753f2-1
0.241

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O=C(Nc1cc(=O)[nH]c2ccccc12)[C@H]1CCOc2ccc(Cl)cc21

VLA-UCB-05e51b3f-18
0.241

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O=C(CCc1cccc(Cl)c1)N(C(=O)c1cc(=O)[nH]c2ccccc12)C1CC1

JAN-GHE-82a280f8-2
0.241

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O=C(Nc1cc(=O)[nH]c2ccccc12)C1CCOc2ccc(Cl)cc21

JAG-UCB-c61058a9-45
0.241

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O=C(Nc1cc(=O)[nH]c2ccccc12)[C@@H]1CCOc2ccc(Cl)cc21

VLA-UCB-50c39ae8-11
0.241

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O=C(Nc1cc(=O)[nH]c2ccccc12)C1CCOc2ccc(Cl)cc21

NAU-LAT-b7d8c353-3
0.241

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O=C(CNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCCCO

MAR-TRE-fd17a9b8-89
0.238

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NC(=O)C1CCCN1C(=O)CCCn1c(=O)[nH]c2ccccc2c1=O

MAR-TRE-fd17a9b8-9
0.238

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COC(=O)C1c2ccccc2CC1NC(=O)c1cncnc1

MAR-TRE-92684b97-28
0.237

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COc1ccccc1OC[C@H](C(=O)Nc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ADA-UCB-6c2cb422-8
0.237

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O=C(N[C@@H](Cc1cc(=O)[nH]c2ccccc12)C(=O)O)c1ccc(Cl)cc1

LON-WEI-1908424e-9
0.235

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CSc1ccccc1C(=O)Nc1nc(=O)c2ccccc2[nH]1

MAT-POS-ea426761-14
0.235

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COc1ccccc1OC1CCCN(C(=O)c2c(C)c(=O)[nH]c3ccccc23)C1

MAT-POS-590ac91e-44
0.234

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COc1ccccc1NC1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1

ERI-UCB-a0b0dbcb-5
0.234

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N#CCNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O

MAR-TRE-0fda4e82-3
0.234

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COc1ccccc1OCCNC(=O)c1c(C#N)c(=O)[nH]c2ccccc12

ERI-UCB-ce40166b-25
0.234

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COc1ccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1

KRI-MAR-d2e3ef86-13
0.233

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COc1ccccc1OCCNC(=O)c1cc(=O)[nH]c2ccccc12

MAT-POS-916a2c5a-2
0.233

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COc1ccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)cc1

BEN-DND-7e92b6ca-11
0.233

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COc1ccccc1N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1

BEN-DND-7e92b6ca-13
0.233

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

ADA-UCB-6c2cb422-10
0.233

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COc1ccccc1CO[C@H](C(=O)Nc1cc(=O)[nH]c2ccccc12)c1cccc(Cl)c1

ADA-UCB-6c2cb422-11
0.233

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

NIC-BIO-3276ca7f-7
0.232

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O=C1CC(Oc2cccc(N3CCN(C(=O)c4cc(=O)[nH]c5ccccc45)CC3)c2)N1

ERI-UCB-ce40166b-21
0.232

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CC(C)N(C(=O)Cc1c(O)c2ccccc2[nH]c1=O)C(C)C

LON-WEI-4d77710c-3
0.231

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O=C1CC(Oc2cccc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-13
0.230

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O=C(COc1cccc(Cl)c1)N(C(=O)c1cc(=O)[nH]c2ccccc12)C1CC1

JAN-GHE-82a280f8-3
0.229

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COc1ccc(Cl)cc1OCCN(C)C(=O)c1cc(=O)[nH]c2ccccc12

BEN-DND-b89db3f2-5
0.229

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COc1ccccc1OCC(NC(=O)c1cc(=O)[nH]c2ccccc12)N1CCCCC1

DAR-DIA-8e329c92-7
0.228

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O=C1CCC(Oc2cccc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-14
0.228

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COC(=O)C(c1ccccc1Cl)N1CCC(S)/C(=C/C(=O)O)C1

JOH-UNI-591f77bd-1
0.228

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COC(=O)C(c1ccccc1Cl)N1CCC(S)/C(=C\C(=O)O)C1

JOH-UNI-a5c0a47e-3
0.228

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COC(=O)C(c1ccccc1Cl)N1CCC2SC(=O)C=C2C1

JOH-UNI-a5c0a47e-2
0.228

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Fc1ccccc1C1c2[nH]c3ccccc3c2CCN1Cc1cnc(N2CCOCC2)s1

MAT-POS-ea426761-80
0.227

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O=C(O)C1CCCN1C(=O)CCCn1c(=O)[nH]c2ccccc2c1=O

MAR-TRE-fd17a9b8-5
0.226

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O=C1CC(Oc2cc(Cl)cc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ALP-POS-3fc1724e-2
0.226

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O=C1CC(Oc2cc(Cl)cc(OCCNC(=O)c3cc(=O)[nH]c4ccccc34)c2)N1

ERI-UCB-ce40166b-17
0.226

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COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1cncnc1

MAR-TRE-4f781e27-69
0.225

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COc1ccccc1OCC(NC(=O)c1cc(=O)[nH]c2ccccc12)N1CCC1

DAR-DIA-8e329c92-5
0.225

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

ALP-POS-a30bcdb4-1
0.225

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COc1cc(Cl)cc(N(CCC2CCCCC2)C(=O)Nc2cc(=O)[nH]c3ccccc23)c1

MAT-UCB-93f6aed8-1
0.225

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O=C(Cc1cccc(Cl)c1)Nc1cc(=O)[nH]c2ccccc12

MAT-POS-e1b5ac6b-1
0.224

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O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1

ERI-UCB-a0b0dbcb-2
0.223

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

MAK-UNK-a7992eb3-4
0.221

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O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCc1c[nH]c2ccc(Cl)cc12

MAR-TRE-fd17a9b8-1
0.221

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CCC(C(=O)Nc1cccnc1)n1c(=O)[nH]c2ccccc2c1=O

KEI-TRE-d5e2018a-23
0.221

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CC[C@@H](C(=O)Nc1cccnc1)n1c(=O)[nH]c2ccccc2c1=O

MAR-TRE-4b834d9a-27
0.221

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O=C(Nc1ccccc1N1CCCCC1)c1cc(=O)[nH]c2ccccc12

KRI-MAR-d2e3ef86-12
0.221

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CC(NC(=O)c1cncnc1)(C(=O)O)c1ccccc1Cl

MAR-TRE-8190bb11-62
0.220

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O=C(c1ccccc1)N1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1

BEN-DND-7e92b6ca-6
0.219

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COc1ccccc1OCC(CN1CCOCC1)NC(=O)c1cc(=O)[nH]c2ccccc12

DAR-DIA-8e329c92-8
0.218

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COc1cccc(CN2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1

ERI-UCB-a0b0dbcb-11
0.218

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O=C(Nc1ccc2c(c1)[nH]c1ccccc12)C1CC2CC1CN2C(=O)CCl

MAK-UNK-5d2caa6f-14
0.218

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CC(=O)NCCc1c[nH]c2c(CNc3cc4ccccc4[nH]3)cc(F)cc12

GAB-REV-4a4e2ff3-15
0.218

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O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1

KRI-MAR-d2e3ef86-5
0.218

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O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1

BEN-DND-7e92b6ca-10
0.218

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COC(=O)[C@H]1CN(C(=O)CCl)c2ccccc2O1

MAR-TRE-6a44bbf2-75
0.217

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COc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1

MAR-UCB-f313ec4d-5
0.217

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COc1cccc(N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1

BEN-DND-7e92b6ca-12
0.217

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CC(=O)N1Cc2ccccc2C(c2cc3[nH]cc(C4CC4)c3cc2Cl)C1

DOU-UNK-b5326f8f-14
0.217

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Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)Nc1cccnc1

MAR-TRE-04c86cea-87
0.217

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O=C1CC(Oc2cc(Cl)cc(-c3ccc4c(c3)N(Cc3cc(=O)[nH]c5ccccc35)C(=O)C4=O)c2)N1

DAR-DIA-53551c05-16
0.216

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CC(=O)NCCc1c[nH]c2ccccc12

SAN-PRS-3c4a6997-2
0.216

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CC(CNC(=O)C(C)Cc1c[nH]c2ccccc12)Cc1ccccc1

CUN-WAB-25b584ee-1
0.216

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O=C(Cc1cc(Cl)cc(OC2CCC(=O)N2)c1)Nc1cncc2ccccc12

MAT-POS-9ff17035-1
0.216

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COc1cc(Cl)cc(CN2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1F

ALP-POS-3fc1724e-4
0.216

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O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(Cc2cccc(Cl)c2)CC1

ERI-UCB-a0b0dbcb-12
0.215

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O=C(NCc1cc(=O)[nH]c2ccccc12)c1cncnc1

MAR-TRE-92684b97-53
0.214

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O=C(Nc1cncc2ccccc12)[C@H]1COc2c(Cl)cccc21

FRA-DIA-0fa076fe-1
0.214

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COC(=O)C1CC(OC(=O)c2[nH]c3ccccc3c2Cl)C1

0.464

View
COC(=O)C(NC1Cc2[nH]c3ccccc3c2C1)c1ccccc1Cl

0.459

View
COC(=O)C1CCC(OC(=O)c2[nH]c3ccccc3c2Cl)CC1

0.456

View
COC(=O)C1CC(OC(=O)c2[nH]c3ccccc3c2Cl)CC(C(=O)OC)C1

0.456

View
COC(=O)[C@H]1C[C@@H](NC(=O)c2[nH]c3ccccc3c2Cl)C1

0.448

View
COC(=O)[C@H]1C[C@H](NC(=O)c2[nH]c3ccccc3c2Cl)C1

0.448

View
COC(=O)C1CN(C(=O)c2[nH]c3ccccc3c2Cl)C1

0.446

View
COC(=O)C1CN(C(=O)c2[nH]c3ccccc3c2Cl)CC1C(=O)OC

0.446

View
CC1c2[nH]c3ccccc3c2C(c2ccccc2Cl)CN1C(=O)C1CC(=O)N1

0.444

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COC(=O)C1CCC(NC(=O)c2[nH]c3ccccc3c2Cl)CC1

0.441

View
COC(=O)[C@H]1CC[C@@H](NC(=O)c2[nH]c3ccccc3c2Cl)CC1

0.441

View
COC(=O)[C@H]1CC[C@H](NC(=O)c2[nH]c3ccccc3c2Cl)CC1

0.441

View
COC(=O)C1CN(C(=O)c2[nH]c3ccccc3c2Cl)c2ccccc21

0.441

View
CC(=O)N1CC(c2ccccc2Cl)c2c([nH]c3ccccc23)C1C

0.441

View
COC(=O)[C@@H]1C[C@H]1c1ccccc1Cl

0.440

View
CC1c2[nH]c3ccccc3c2C(c2ccccc2Cl)CN1C(=O)CO

0.435

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COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)c1[nH]c2ccccc2c1Cl

0.435

View
COC(=O)CN1CC(c2ccccc2Cl)c2c([nH]c3ccccc23)C1C

0.435

View
CC1c2[nH]c3ccccc3c2C(c2ccccc2Cl)CN1C(N)=O

0.433

View
COC(=O)C1CCC1c1ccccc1Cl

0.431

View
COC(=O)C1CCN1C(=O)c1[nH]c2ccccc2c1Cl

0.431

View
COC(=O)C1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1

0.431

View
COC(=O)C1C(C(=O)OC)C2CCC1N2C(=O)c1[nH]c2ccccc2c1Cl

0.431

View
COCC(=O)N1CC(c2ccccc2Cl)c2c([nH]c3ccccc23)C1C

0.429

View
COC(=O)c1[nH]c2ccccc2c1Cl

0.429

View
COC(=O)[C@@H]1C[C@H](NC2CCCc3c2[nH]c2ccccc32)CN1

0.429

View
COC(=O)C1Cc2ccccc2CN1C(=O)c1[nH]c2ccccc2c1Cl

0.426

View
COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1[nH]c2ccccc2c1Cl

0.426

View
COC(=O)[C@@H]1CC[C@H](NC(=O)c2[nH]c3ccccc3c2Cl)C1

0.426

View
COC(=O)[C@@H]1CC=CC[C@@H]1NC(=O)c1[nH]c2ccccc2c1Cl

0.426

View
COC(=O)[C@@H]1C[C@H](NC(=O)c2[nH]c3ccccc3c2Br)CN1

0.426

View
COC(=O)C1CC(OC(=O)c2[nH]c3ccccc3c2Cl)CN1C

0.426

View
COC(=O)[C@H]1C[C@@H](NC2Cc3[nH]c4ccccc4c3C2)C1

0.424

View
COC(=O)[C@H]1C[C@H](NC2Cc3[nH]c4ccccc4c3C2)C1

0.424

View
COC(C)C(=O)N1CC(c2ccccc2Cl)c2c([nH]c3ccccc23)C1C

0.422

View
COC(=O)Cc1c(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)[nH]c2ccccc12

0.422

View
COC(=O)C1CN(C(=O)c2[nH]c3ccccc3c2Cl)c2ccccc2O1

0.419

View
COC(=O)C1c2ccccc2CCN1C(=O)c1[nH]c2ccccc2c1Cl

0.419

View
COC(=O)C1CC(OC)CCN1C(=O)c1[nH]c2ccccc2c1Cl

0.419

View
COC(=O)[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Cl)C[C@H]1C1CC1

0.419

View
CNC(=O)N1CC(c2ccccc2Cl)c2c([nH]c3ccccc23)C1C

0.419

View
COC(=O)N[C@@H](C)C(=O)N1CC(c2ccccc2Cl)c2c([nH]c3ccccc23)C1C

0.418

View
COC(=O)C1CCCN1C(=O)c1[nH]c2ccccc2c1Cl

0.417

View
COC(=O)C1CCN(C(=O)c2[nH]c3ccccc3c2Cl)C1

0.417

View
COC(=O)[C@@H]1CCCN1C(=O)c1[nH]c2ccccc2c1Cl

0.417

View
COC(=O)[C@H]1CCCN1C(=O)c1[nH]c2ccccc2c1Cl

0.417

View
COC(=O)C1CN(C(=O)c2[nH]c3ccccc3c2Cl)CC1C

0.417

View
COC(=O)[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Cl)C[C@H]1C

0.417

View
COC(=O)C1CCC(NC2Cc3[nH]c4ccccc4c3C2)CC1

0.417

View
COC(=O)[C@H]1CC[C@@H](NC2Cc3[nH]c4ccccc4c3C2)CC1

0.417

View
COC(=O)[C@H]1CC[C@H](NC2Cc3[nH]c4ccccc4c3C2)CC1

0.417

View
COC(=O)C1CCCCC1OC(=O)c1[nH]c2ccccc2c1Cl

0.417

View
COCCC(=O)N1CC(c2ccccc2Cl)c2c([nH]c3ccccc23)C1C

0.415

View
CC1c2[nH]c3ccccc3c2C(c2ccccc2Cl)CN1C(=O)C1CCO1

0.415

View
CO[C@H]1C[C@@H](NC(=O)c2[nH]c3ccccc3c2Cl)C1

0.414

View
COC(=O)C1CC(c2ccccc2)CN(C(=O)c2[nH]c3ccccc3c2Cl)C1

0.413

View
CC1c2[nH]c3ccccc3c2C(c2ccccc2Cl)CN1CC(N)=O

0.413

View
COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC1Cc2[nH]c3ccccc3c2C1

0.413

View
COC1CN(C(=O)c2[nH]c3ccccc3c2Cl)C1

0.411

View
COC1CCC(OC(=O)c2[nH]c3ccccc3c2Cl)CC1

0.411

View
CO[C@H]1C[C@@H](OC(=O)c2[nH]c3ccccc3c2Cl)C1

0.411

View
COC(=O)C1CCCCN1C(=O)c1[nH]c2ccccc2c1Cl

0.410

View
COC(=O)[C@H]1CCCCN1C(=O)c1[nH]c2ccccc2c1Cl

0.410

View
COC(=O)C1CSCN1C(=O)c1[nH]c2ccccc2c1Cl

0.410

View
COC(=O)[C@@H]1C[C@H](F)CN1C(=O)c1[nH]c2ccccc2c1Cl

0.410

View
COC(=O)C1CC(O)CN(C(=O)c2[nH]c3ccccc3c2Cl)C1

0.410

View
COC(=O)C1CC(C)CN(C(=O)c2[nH]c3ccccc3c2Cl)C1

0.410

View
COC(=O)C1CCC(C)N(C(=O)c2[nH]c3ccccc3c2Cl)C1

0.410

View
COC(=O)C1CCC(C(=O)OC)N(C(=O)c2[nH]c3ccccc3c2Cl)C1

0.410

View
COC(=O)C1CCN(C(=O)c2[nH]c3ccccc3c2Cl)C1C

0.410

View
CCOCC(=O)N1CC(c2ccccc2Cl)c2c([nH]c3ccccc23)C1C

0.409

View
CC1c2[nH]c3ccccc3c2C(c2ccccc2Cl)CN1C(=O)c1cc[nH]n1

0.409

View
COC1CCC(NC(=O)c2[nH]c3ccccc3c2Cl)CC1

0.407

View
COC(=O)[C@H]1C[C@H](N2C(=O)NC(c3ccccc3Cl)C2=O)C1

0.407

View
COC(=O)[C@H]1C[C@@H](N2C(=O)NC(c3ccccc3Cl)C2=O)C1

0.407

View
CC(O)C(=O)N1CC(c2ccccc2Cl)c2c([nH]c3ccccc23)C1C

0.406

View
CC#CC(=O)N1CC(c2ccccc2Cl)c2c([nH]c3ccccc23)C1C

0.406

View
CC1c2[nH]c3ccccc3c2C(c2ccccc2Cl)CN1C(=O)[C@@H](C)O

0.406

View
CNC(=O)CN1CC(c2ccccc2Cl)c2c([nH]c3ccccc23)C1C

0.406

View
COC1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1

0.404

View
COC(=O)C1CC(OC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)C1

0.404

View
COC(=O)C1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1

0.403

View
COC(=O)C1CN(C(=O)c2[nH]c3ccccc3c2Cl)CCO1

0.403

View
COC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1[nH]c2ccccc2c1Cl

0.403

View
COC(=O)[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2Cl)C1

0.403

View
COC(=O)C1CCCCCN1C(=O)c1[nH]c2ccccc2c1Cl

0.403

View
COC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1[nH]c2ccccc2c1Cl

0.403

View
COC(=O)[C@H]1CC(F)(F)CN1C(=O)c1[nH]c2ccccc2c1Cl

0.403

View
COC(=O)C1CC2CCC1N(C(=O)c1[nH]c3ccccc3c1Cl)C2

0.403

View
COC(=O)[C@@H]1C[C@@H]1CNC(=O)c1[nH]c2ccccc2c1Cl

0.403

View
COC(=O)[C@@H]1CC[C@H](NC2Cc3[nH]c4ccccc4c3C2)C1

0.403

View
CC1c2[nH]c3ccccc3c2C(c2ccccc2Cl)CN1C(=O)C1CCC(=O)N1

0.403

View
CC(=O)NC(C)C(=O)N1CC(c2ccccc2Cl)c2c([nH]c3ccccc23)C1C

0.403

View
COC(=O)NCC(=O)N1CC(c2ccccc2Cl)c2c([nH]c3ccccc23)C1C

0.403

View
CC1c2[nH]c3ccccc3c2C(c2ccccc2Cl)CN1C(=O)[C@H]1CCC(=O)N1

0.403

View
CC1c2[nH]c3ccccc3c2C(c2ccccc2Cl)CN1C(=O)CCCC(N)=O

0.403

View
CC1c2[nH]c3ccccc3c2C(c2ccccc2Cl)CN1C(=O)C1CNC(=O)C1

0.403

View
CC1c2[nH]c3ccccc3c2C(c2ccccc2Cl)CN1C(=O)c1csc(=O)[nH]1

0.403

View
COC(=O)COCC(=O)N1CC(c2ccccc2Cl)c2c([nH]c3ccccc23)C1C

0.403

View
COC(=O)Cc1c(C(=O)NC2CCc3c(Cl)cccc32)[nH]c2ccccc12

0.403

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccccc2)N1C(=O)CCl

0.123

View
O=C([O-])C1Cc2c([nH]c3ccccc23)C(c2ccc(O)c(O)c2)[NH2+]1

0.123

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2F)N1

0.123

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccc(O)c(O)c2)N1

0.123

View
COc1ccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc1O

0.122

View
COc1ccc(C2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1O

0.122

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccc3c4c(cccc24)CC3)N1

0.121

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccc(C)cc2)N1C(=O)CCl

0.120

View
COc1cccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)c1

0.120

View
COc1cccc(C2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1

0.120

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccc(C(F)(F)F)cc2)N1

0.119

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2Br)N1

0.119

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccc(C(C)C)cc2)N1C(C)=O

0.118

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(C(C)C)cc2)N1C(C)=O

0.118

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccc(OC(F)(F)F)cc2)N1

0.117

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2cc(OC)c(OC)c(OC)c2)N1

0.116

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2cc(OC)c(OC)c(OC)c2)N1

0.116

View
O=C([O-])C1Cc2c([nH]c3ccccc23)C(c2ccc(Br)cc2)[NH2+]1

0.116

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccc(Br)cc2)N1

0.116

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2cccc(O)c2)N1

0.115

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccncc2)N1

0.114

View
Cc1cccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)c1

0.114

View
CC(=O)[O-].Cn1c2ccccc2c2cc(C3[NH2+]C(C(=O)O)Cc4c3[nH]c3ccccc43)ccc21

0.113

View
Cn1c2ccccc2c2cc(C3NC(C(=O)O)Cc4c3[nH]c3ccccc43)ccc21

0.113

View
CC(=O)O.Cn1c2ccccc2c2cc(C3NC(C(=O)O)Cc4c3[nH]c3ccccc43)ccc21

0.113

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccccc2)N1C(C)=O

0.113

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2cc(C)cc(F)c2)N1.Cl

0.112

View
CC(=O)[O-].COC(=O)c1ccc(C2[NH2+]C(C(=O)O)Cc3c2[nH]c2ccccc32)cc1

0.111

View
CC(=O)O.COC(=O)c1ccc(C2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1

0.111

View
CC(=O)O.COC(=O)c1ccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc1.COC(=O)c1ccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc1

0.111

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccc(OC)c(OC)c2)N1

0.111

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(OC)c(OC)c2)N1

0.111

View
O=C([O-])[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccc(F)cc2)[NH2+]1

0.110

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccc(F)cc2)N1

0.110

View
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccc(F)cc2)N1

0.110

View
CCN(CC)c1ccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc1

0.110

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccc(C)cc2)N1C(C)=O

0.110

View
CCOc1ccc(C2[NH2+]C(C(=O)[O-])Cc3c2[nH]c2ccccc32)cc1

0.109

View
CCOc1ccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc1

0.109

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2cccc3ccccc23)N1

0.108

View
CN(C)c1ccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc1

0.108

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccc(O)cc2)N1

0.107

View
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccc(O)cc2)N1

0.107

View
Cc1ccccc1C1NC(C(=O)O)Cc2c1[nH]c1ccccc21

0.105

View
Cc1ccccc1C1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21

0.105

View
COc1ccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc1

0.103

View
COc1ccc(C2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1

0.103

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc([N+](=O)[O-])cc2)N1

0.102

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2cccc(Br)c2)N1

0.102

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccc(Cl)c(Cl)c2)N1

0.100

View
CC(C)c1ccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc1

0.099

View
CC(C)c1ccc(C2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1

0.099

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2cccc(F)c2)N1

0.098

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2cccc(OC)c2)N1

0.098

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2cccc(OC)c2)N1

0.098

View
O=C([O-])[C@@H]1Cc2c([nH]c3ccccc23)C(c2cccc(Cl)c2)[NH2+]1

0.097

View
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2cccc(Cl)c2)N1

0.097

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2cccnc2)N1

0.096

View
COC(=O)c1ccc(C2N[C@H](C(=O)OC)Cc3c2[nH]c2ccccc32)cc1

0.096

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2cccc(F)c2)N1.Cl

0.095

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2)N1

0.094

View
O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2)N1

0.094

View
O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1

0.094

View
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccccc2)N1

0.094

View
Cc1ccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc1

0.090

View
Cc1ccc(C2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1

0.090

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2cccc(C)c2)N1

0.085

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(OC)cc2)N1

0.084

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccc(OC)cc2)N1

0.084

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(OC)cc2)N1.Cl

0.081

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2C)N1

0.079

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2cccc3ccccc23)N1

0.079

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2cccc3ccccc23)N1

0.079

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccccc2C)N1

0.079

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccc(Cl)cc2)N1

0.077

View
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccc(Cl)cc2)N1

0.077

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccc(C(C)C)cc2)N1

0.070

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(C(C)C)cc2)N1

0.070

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2cccc(Cl)c2)N1

0.069

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2cccc(Cl)c2)N1

0.069

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2)N1

0.065

View
COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2)N1

0.065

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccccc2)N1

0.065

View
COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2)N1

0.065

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccc(Cl)cc2Cl)N1C(C)=O

0.063

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(C)cc2)N1

0.061

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccccc2Cl)N1C(C)=O

0.061

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2c(F)cccc2Cl)N1.Cl

0.055

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2cccc(Cl)c2Cl)N1

0.053

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(Cl)cc2)N1

0.048

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccc(Cl)cc2Cl)N1

0.029

View
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccc(Cl)cc2Cl)N1

0.029

View
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2Cl)N1

0.029

View
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2ccccc2Cl)N1

0.026

View
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccccc2Cl)N1

0.026

View
CCOC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(Cl)cc2Cl)N1

0.016

View
COC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(Cl)cc2Cl)N1

0.003

View
COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)C(c2ccc(Cl)cc2Cl)N1

0.003

View


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