SMILES for Ubiquitin-conjugating enzyme E2 N

Cc1cc(C2N=C(N)Nc3nc4ccccc4n23)c(C)n1-c1ccccc1Cl |t:5,(5.56,-2.43,;6.82,-1.54,;6.83,-0,;8.3,.45,;8.8,1.91,;10.37,2.24,;10.86,3.76,;12.37,4.09,;9.78,4.94,;8.22,4.59,;6.97,5.49,;5.73,4.59,;4.16,4.94,;3.08,3.76,;3.58,2.24,;5.15,1.91,;6.2,3.12,;7.74,3.12,;9.19,-.8,;10.73,-.82,;8.28,-2.04,;8.73,-3.51,;10.24,-3.84,;10.7,-5.31,;9.65,-6.45,;8.15,-6.11,;7.69,-4.64,;6.19,-4.3,)|

BDBM78536

CCCCn1c2nc(-c3ccc(cc3)C#N)n(C3CCCC3)c2c(=O)[nH]c1=O

BDBM78537

COC(=O)c1cccc(NC(=O)Cc2coc3cc(OC)ccc23)c1

BDBM41228

c1coc(c1)-c1nc(-c2ccco2)c(nc1-c1ccco1)-c1ccco1

BDBM34337

CC(Nc1ccccc1N1CCOCC1)c1nc2sc(C)c(C)c2c(=O)[nH]1

BDBM66253

CS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)N1CCOCC1

BDBM78538

Cc1c(n(c2c1c(ncn2)N)Cc3ccccc3)C

BDBM78539

CCCCn1c(SCC(=O)Nc2cc(C)n[nH]2)nc2ccsc2c1=O

BDBM39470

CCOC(=O)CSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1

BDBM78540

CCOC(=O)N1CCN(CC1)C(=O)Cc1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O

BDBM78541

COc1ccc(Nc2nc(N3CCCC3)c3ccccc3n2)cc1

BDBM77999

COc1ccc2cc3cc(oc3nc2c1)C(=O)Nc1ccccc1N1CCN(C)CC1

BDBM78542

COc1ccc2nc3oc(cc3cc2c1)C(=O)NC1CCN(Cc2ccccc2)CC1

BDBM78543

CCCOc1ccc(cc1)C(=O)Nn1c(C)nc2ccccc2c1=O

BDBM68483

CNC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCC(C)CC1

BDBM78544

Cn1c2ccccc2c(SCC(=O)N2CCN(CC2)C2CCCCC2)cc1=O

BDBM78545

COc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1

BDBM78546

CN1CCN(CC1)c1ccccc1NC(=O)CCc1nc(no1)-c1ccc(C)cc1

BDBM78547

CCCCC(=O)Nc1ccc2N(CC)C(=O)c3cccc1c23

BDBM78548

COc1ccccc1C(=O)Nc1c2CS(=O)(=O)Cc2nn1-c1cccc(C)c1C

BDBM78549

COc1ccc(Cn2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)cc1

BDBM42711

Fc1ccccc1N1CCN(CCCNC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)CC1

BDBM38821

CCOc1cc(ccc1O)C1C(C#N)C(=N)Oc2[nH]nc(c12)-c1ccccc1

BDBM78550

Clc1cccc(c1)N1CCN(CCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)CC1

BDBM78551

CCNC(=O)c1ccccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCC(C)CC1

BDBM78552

COc1ccc(cc1)-c1noc(CCC(=O)NCC2CCN(Cc3cccc(C)c3)CC2)n1

BDBM78553

CCCCOc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1

BDBM78554

COc1ccc(cc1)-c1noc(CCC(=O)NCCCN2CCC(Cc3ccccc3)CC2)n1

BDBM78555

O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCC1

BDBM78556

Cn1c2ncn(Cc3cccc(Cl)c3)c2c(=O)n(C)c1=O

BDBM41654

CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O

BDBM42752

O=C(CCCCCn1c(SCc2ccncc2)nc2ccccc2c1=O)NCc1ccco1

BDBM42758

CCOC(=O)CSc1nc2ccccc2c(=O)n1CCCCCC(=O)NCc1ccco1

BDBM78557

O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCc1ccco1

BDBM78558

COc1ccccc1NC(=O)CSc1nc2ccccc2n1C(C)=O

BDBM78559

CCCn1c2ccccc2c2nc3ccccc3nc12

BDBM78560

Cn1c2ncn(Cc3ccc(Cl)c(Cl)c3)c2c(=O)n(C)c1=O

BDBM78561

CCCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O

BDBM74657

Cc1onc(c1C(=O)Nc1cccc2nsnc12)-c1ccccc1

BDBM50073568

COc1cc2c(cc1OC)nc(nc2N)N3CCNCC3

BDBM39036

COc1ccc(cc1)C(=O)Nn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O

BDBM60394

O=C(CSC1=NS(=O)(=O)c2ccccc12)Nc1ccccc1 |t:4|

BDBM78562

Cc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccc(C)cc1

BDBM41361

CCCCN(CC)CCNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O

BDBM78563

CC(C)n1c(NCc2cc(Cl)ccc2O)nc2ccccc12

BDBM78564

COc1ccc(cc1)-c1nnc(SCC(=O)Nc2cc(F)ccc2C)o1

BDBM48527

Cc1cccc(c1)N1CCc2c1nc1ccccc1c2N

BDBM78566

CN1CCc2c(C1)sc1NC(NC(=O)c21)c1cn(Cc2ccccc2)c2ccccc12

BDBM30943

Cn1c(cc2c1c1ccccc1n(C)c2=O)C(=O)NCCCN1CCN(CC1)c1cccc(Cl)c1

BDBM78567

CC1CCCCN1CCNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O

BDBM78568

COc1ccc(cc1OC)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(F)c1

BDBM78569

Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCC(CC1)N1CCCCC1

BDBM78570

CCOC(=O)c1c(CN2CCN(CC2)c2ccccc2)oc2ccc(O)cc12

BDBM78571

CCCCN(CC)CCCNC(=O)c1cc2c(n1C)c1ccccc1n(C)c2=O

BDBM78572

COC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2CN(CCc12)C(C)=O

BDBM78573

CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1

BDBM78574

COc1ccc2nc(SCc3nc(N)nc(Nc4ccccc4)n3)[nH]c2c1

BDBM48177

CN1CCN(CC(=O)N2CCn3c4C2CCCc4c2cc(ccc32)C2CCCCC2)CC1

BDBM37271

CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O

BDBM78575

COC(=O)Cc1cc(=O)[nH]c(Nc2nc3ccccc3o2)n1

BDBM50241582

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2Oc3cc(c4c(c3)O[C@@H](CC4=O)c5ccc(cc5)O)O)CO)O)O)O)O)O

BDBM78576

CN(C)S(=O)(=O)c1ccc2Sc3ccccc3\C(=C\CCN3CCN(C)CC3)c2c1

BDBM78577

CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2ccccc2)N3CCCC3

BDBM20608

CC/C(=C(\c1ccc(cc1)O)/c2ccc(cc2)OCCN(C)C)/c3ccccc3

BDBM78578

COc1ccc(\C=C\C(=O)Nc2c(C)nn(C)c2C)cc1COc1ccc(Cl)cc1Br

BDBM78579

CCCCCOc1ccc(Br)cc1C(C)=NNC1=NCCN1 |w:15.16,t:18|

BDBM78580

OC(CNCC1CCCO1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc12

BDBM78581

[O-][N+](=O)c1ccc(CSCC(=O)N[N-][C+]2CCCCCC2)cc1

BDBM50014251

Cn1c2ncn(Cc3ccccc3)c2c(=O)n(C)c1=O

BDBM77139

CN(Cc1ccccc1)C(=O)CCSc1nc(cc(n1)C(F)(F)F)-c1ccc2OCOc2c1

BDBM78582

C1CCC(CC1)c1ccc2n3CCCNC4CCCc(c34)c2c1

BDBM47161

COc1ccc(cc1)-c1c2CCCc2nc2sc(C(=O)Nc3ccccc3)c(N)c12

BDBM78583

C[C@@H](O)C1NC(=O)[C@H](CCCCN)NC(=O)c2cc(cc(F)c2NCCCC[C@H](NC1=O)C(N)=O)[N+]([O-])=O

BDBM78584

NCCCC[C@@H]1NC(=O)c2cc(cc(F)c2NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC1=O)C(N)=O)[N+]([O-])=O

BDBM78585

C#CCOCCOCCOCCNc5nc(N2CCN(C(=O)[C@H](CCCCN)n1cc(CCCC)nn1)CC2)nc(N4CCN(C(=O)[C@H]([C@@H](C)CC)n3cc(CCC/N=C(N)/[NH3+])nn3)CC4)n5

BDBM78586

CC[C@H](C)[C@@H]1NC(=O)c2cc(cc(F)c2NCCCC[C@H](NC(=O)[C@H](CCCCN)NC1=O)C(N)=O)[N+]([O-])=O

BDBM78587

NCCCC[C@@H]1NC(=O)c2cc(cc(F)c2NCCCC[C@H](NC(=O)CNC1=O)C(N)=O)[N+]([O-])=O

BDBM78588

NCCCC[C@@H]1NC(=O)c2cc(cc(I)c2SC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(N)=O)[N+]([O-])=O

BDBM78589

CCSc1nc(N2CCCCC2)c2CCCCc2c1C#N

BDBM78590

CCOC(=O)C1=C(O\C(S1)=C(/C(=O)OC)C(F)(F)F)c1ccccc1 |t:5|

BDBM78591

CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN(CC(O)COc2ccc3ccccc3c2)CC1

BDBM78592

COc1ccc(cc1)C(=O)Nn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O

BDBM78593

O=C(Cn1cc(C(=O)c2cccs2)c2ccccc12)NC1CCCCC1

BDBM78594

COc1cc2n(Cc3ccc(F)cc3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1

BDBM78595

CCOC(=O)C1=C(O\C(S1)=C(\C(=O)OC)C(F)(F)F)c1ccccc1 |t:5|

BDBM61015

COc1cc2n(Cc3ccccc3)cc3c(nnc3c2cc1OC)-c1ccc(F)cc1

BDBM78596

CCOc1ccc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1

BDBM57142

[H]C12CC3([H])CC([H])(C1)C(C(=O)OCCc1sc[n+](CC(=O)c4ccc(Br)cc4)c1C)C([H])(C2)C3 |TLB:10:9:5:1.8.2,THB:10:9:3.34.5:1.33.8,33:31:5:1.8.2,33:1:31.9.34:5,2:1:9:3.34.5,(1.92,.06,;2.25,1.56,;.74,1.49,;2.03,2.23,;3.04,1.07,;2.03,3.72,;3.32,4.46,;3.32,6,;2.25,3.17,;4.61,3.72,;5.69,4.81,;5.3,6.3,;7.18,4.41,;8.27,5.5,;9.76,5.1,;10.85,6.19,;12.37,5.95,;13.07,7.32,;11.98,8.41,;12.22,9.93,;13.66,10.48,;14.85,9.51,;13.9,12,;15.34,12.56,;15.58,14.08,;14.38,15.05,;14.62,16.57,;12.94,14.49,;12.7,12.97,;10.61,7.71,;9.23,8.41,;4.61,2.23,;6.08,1.78,;3.65,.83,;3.32,1.77,)|

BDBM78597

CC(C)Cn1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2c3ccccc3n(C)c2c1=O

BDBM78598

CC(C)Cn1cc(C(=O)NCCCN2CCC(C)CC2)c2c3ccccc3n(C)c2c1=O

BDBM78599

COc1cc2nc(NCCCN3CCN(C)CC3)n3nc(nc3c2cc1OC)-c1ccccc1

BDBM51312

CCN(CC)CCCNc1nc2cc(OC)c(OC)cc2c2nc(nn12)-c1ccccc1

BDBM78600

Cc1cc([nH]n1)C(=O)NNC(=S)NC(=O)C=Cc1ccccc1Cl |w:16.17|

BDBM78601

COc1ccc(cc1)-c1oc2ncnc(N)c2c1-c1ccccc1

BDBM78602

NC(=S)Nc1nc2ccccc2[nH]c1=O

BDBM78603

OC(=O)c1ccc(Cn2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)cc1

BDBM48265

COc1ccc(cc1)C(=O)Nn1c(SCC(=O)NCc2ccccc2)nc2ccccc2c1=O

BDBM78604

OC(=O)c1ccc(Cn2c(SCC(=O)NCC3CCCO3)nc3ccsc3c2=O)cc1

BDBM47188

CCN1CCN(CC1)C(=O)CSc1cc(=O)n(CC)c2ccccc12

BDBM78605

CCc1cccc(NC(=O)CSC2=NS(=O)(=O)c3ccccc23)c1 |t:12|

BDBM78606

O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCCc1c[nH]c2ccccc12

BDBM78607

COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc2nnc(-c3ccccc3)n2n1

BDBM78608

CN(C)CCNc1oc(COc2ccc(Cl)cc2Cl)nc1C#N

BDBM78609

CCCCn1c(nc2nc3ccccc3nc12)-c1cccs1

BDBM78610

CCN(CC)CCNC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(OC)cc12

BDBM52304

COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(9.35,-7.82,;8.88,-6.36,;9.91,-5.21,;9.43,-3.75,;10.46,-2.6,;9.98,-1.14,;10.88,.1,;12.42,.1,;9.98,1.34,;10.46,2.81,;11.91,3.28,;11.92,4.81,;13.07,5.83,;12.75,7.34,;11.28,7.82,;10.14,6.79,;10.46,5.28,;9.56,4.05,;8.02,4.05,;8.52,.87,;7.19,1.64,;5.85,.87,;4.48,1.7,;3.08,.91,;3.08,-.7,;4.48,-1.49,;5.85,-.67,;7.19,-1.44,;8.52,-.67,)|

BDBM78611

CCOC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)C(C)(C)C

BDBM57203

CC(C)(C)c1cc(NCCCn2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1

BDBM78612

Cc1cccn2c1nc(N1CCCCCC1)c(C=O)c2=O

BDBM78613

N#Cc1nc(oc1NCCN1CCCCC1)-c1cccc2ccccc12

BDBM61453

CCOC(=O)c1c(oc2ccc(O)cc12)C(C)(C)C

BDBM43211

COc1ccc(cc1)-c1cc(nc(n1)N1CCNCC1)C#N

BDBM68798

O=NCc1cn(nc1-c1ccc2OCCOc2c1)-c1ccccc1

BDBM68799

[H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCCc1sc[n+](CC(=O)c4ccc(Br)cc4)c1C)(C2)C3 |TLB:5:3:33:6.9.8,THB:2:3:9:1.33.8,5:6:33:3.34.2|

BDBM78614

CCc1nc2ccccc2c(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1C

BDBM47212

CCc1cc2c([nH]c(=S)n(-c3ccccc3)c2=O)s1

BDBM78615

CCOC(=O)c1cc(nc2n(CCC#N)nc(C)c12)-c1ccc(OC)cc1F

BDBM67875

CCOC(=O)c1cc(nc2n(nc(C)c12)-c1ccccn1)-c1ccccc1

BDBM78616

CCOC(=O)c1cc(nc2n(CCC#N)nc(C)c12)-c1ccc(OC)cc1

BDBM78617

CCOc1ccc2nc(NC3=NC(C)(C)CC(C)=N3)nc(C)c2c1 |c:17,t:10|

BDBM78618

CN(Cc1ccccc1)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(Cl)s1

BDBM34713

CCOc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCNCC1

BDBM68831

COc1cc(C=NNC(=O)c2sc(N)c(C#N)c2C)ccc1O |w:6.6|

BDBM78619

COc1cccc(C=NNC(=O)c2sc(N)nc2C)c1OC

BDBM78620

CCOC(=O)N1CCc2c(C1)sc(NC(=S)NCC=C)c2C(=O)OCC

BDBM78621

CCCCCCCSc1cc(OC)c(CCNC)cc1OC

BDBM46318

COc1cc(C=NNC(=O)c2sc(N)nc2C)cc(OC)c1OC |w:6.6|

BDBM78622

CCCCCCCSc1cc(OC)c(CCN(C)C)cc1OC

BDBM78623

COc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(c3)C(F)(F)F)n2)c(OC)c1

BDBM48681

CN(C)CCOc1ccc(NC2c3ccccc3CSc3ccc(Cl)cc23)cc1

BDBM55464

CN(C)CCOc1ccc(NC2c3ccccc3CSc3ccc(C)cc23)cc1

BDBM78624

CCC(=O)NC(=S)NNC(=O)c1ccc(OC)cc1

BDBM78625

CCC(=O)N1c2ccc(C)cc2C2=NNC(=S)NC12O |t:13|

BDBM78626

Cc1nc(N)sc1C(=O)NN=Cc1c[nH]c2ccccc12 |w:10.10|

BDBM78627

NC(=S)NN=C1C(=O)N(C2OC(=O)c3ccccc23)c2ccccc12 |w:4.3|

BDBM78628

Cc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1

BDBM78629

Cc1ccc2[nH]c(=O)c(NC(N)=S)nc2c1

BDBM78630

COc1ccc(cc1)-c1cc([nH]n1)C1CCN(CC1)c1cc(Cl)nc(N)n1

BDBM60229

CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)CC

BDBM78631

CCC(=O)NC(=S)NNC(=O)c1ccc(cc1)[N+]([O-])=O

BDBM78632

Brc1ccc(cc1)C(=O)NN1C(=O)c2ccc3CCc4ccc(C1=O)c2c34

BDBM78633

COc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1OC

BDBM43800

COc1ccc(OCC(=O)NNC(=O)c2ccccn2)cc1

BDBM64591

CCCOc1ccc(cc1)C(=O)NNC(=S)NC(C)=O

BDBM78634

Clc1ccc(OCC(=O)NNC(=O)c2ccccn2)cc1

BDBM78635

Cc1ccc(NC(=O)CS(=O)CC(=O)NCCCc2ccccc2)cc1Cl

BDBM78636

CCOc1cc(CNCCc2ccc(cc2)S(N)(=O)=O)ccc1OCc1ccc(Cl)cc1

BDBM65098

CN(C)CCCNC(=O)c1ccc(cc1)-c1nc(cs1)-c1ccc(Cl)cc1

BDBM57366

CN(C)CCN=CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl |w:5.4|

BDBM78637

S=c1[nH]cnc2c3ccccc3[nH]c12

BDBM78638

CCOC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccnc2)c1

BDBM51807

COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1F

BDBM41088

COc1ccc(cc1NC(=S)NC(=O)c1ccc2OCCOc2c1)-c1cc2ccccc2oc1=O

BDBM78639

COc1cc(C=NNC(=O)CSCc2ccc(cc2)[N+]([O-])=O)cc(OC)c1OC

BDBM55517

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2)cc1 |w:4.3|

BDBM39806

Cc1ccc(cc1)-c1nn(cc1CSC(N)=N)-c1ccccc1

BDBM57475

OC(COc1ccc2ccccc2c1)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1

BDBM78640

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccccc2)cc1 |w:4.3|

BDBM46560

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccc(Cl)cc2Cl)cc1 |w:4.3|

BDBM78641

Cc1ccc(CCSc2ccc(cc2)C(C)(C)C)c[n+]1CC(=O)c1ccccc1

BDBM78642

CC(=O)c1ccc(Sc2ccc(cc2)C(C)=O)cc1

BDBM48708

CCCCCCCCCCCCCCCC[n+]1ccc(cc1)C(N)=O

BDBM45047

OC(COc1ccccc1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

BDBM78643

OC(COCc1ccc(Cl)cc1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

BDBM78644

COc1ccc(cc1OC)-c1cc(nc(OC)c1C#N)-c1cccs1

BDBM78645

Cc1ccc(Nc2cc(C)nc(NCc3ccccc3)n2)cc1

BDBM78646

Cc1ccc(C)c(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c1

BDBM61495

Cc1cc(Nc2ccccc2)nc(NCc2ccccc2)n1

BDBM65152

Cc1cc(Nc2ccc(Cl)cc2)nc(NCc2ccccc2)n1

BDBM78647

CC1=CC(C)(C)N2C(=O)\C(=N/NC(N)=S)c3cc(C)cc1c23 |t:1|

BDBM78648

NC(=S)NNC1=c2ccccc2=NC1=O |c:5,12|

BDBM78649

Clc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1

BDBM78650

CCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)NNC(=O)C1CCN(CC1)S(=O)(=O)c1ccc(Cl)cc1

BDBM78651

CC(=NNC(=O)CSCc1ccc(cc1)[N+]([O-])=O)c1cccc(Br)c1 |w:2.2|

BDBM78652

Cc1cccc(c1)C(=O)Oc1ccc(C=NNC(=O)Cc2ccc(cc2)[N+]([O-])=O)cc1

BDBM78653

COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccs2)c1

BDBM78654

NC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)nc(SCc1ccc(Cl)cc1)n(CC=C)c2=O

BDBM78655

Cc1nc2ccccc2c(=O)n1NC(=O)C=Cc1ccc(Br)cc1 |w:15.16|

BDBM78656

CCCOC(=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccnc2)c1

BDBM78657

CCCOc1ccc([CH+][N-]NC(=O)CSCc2ccc(cc2)[N+]([O-])=O)cc1OCC

BDBM78658

COc1ccc(C=NNC(=O)CSCc2ccc(cc2)[N+]([O-])=O)cc1OC

BDBM48732

[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#7+]=O)-[#6]=[#6]-1 |c:17,23|

BDBM48733

CCCCCCCCCCCCCCCC[n+]1cccc(c1)C(=O)N(CC)CC

BDBM78659

Fc1cccc(NC(=O)c2cc(ccc2F)S(=O)(=O)NCCC2=CCCCC2)c1 |t:23|

BDBM78660

CC1(C)CC(=O)C2C(C3=C(N=C2C1)c1ccccc1C3=O)c1ccc(Cl)cc1 |c:8,10|

BDBM78661

CC1=CC(C)(C)N2C(=O)\C(=N/NC(N)=S)c3cccc1c23 |t:1|

BDBM78662

Clc1ccc(cc1Cl)-c1c[n+](CC(=O)N2c3ccccc3Sc3ccccc23)c2CCCn12

BDBM63221

O=C1N=c2ccccc2=C1NNC(=S)NCC1CCCO1 |c:9,t:2|

BDBM78663

O=C(NCCCn1ccnc1)C(=C/c1cn(nc1-c1cccc(OCc2ccccc2)c1)-c1ccccc1)\C#N

BDBM78664

OCc1cc(=O)c(O)c(o1)C(Nc1cccc(c1)[N+]([O-])=O)c1ccccn1

BDBM78214

OC(COc1ccc2ccccc2c1)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

BDBM78665

Cc1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

BDBM67232

CC(C)N1CCc2c(C1)sc(NC(=O)c1cc(nc3ccccc13)-c1cccs1)c2C(N)=O

BDBM78666

CCC(OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c1ccccc1

BDBM51818

CN(C)CCCN(C(=O)c1ccc2CCCCc2c1)c1nc2ccc(Cl)cc2s1

BDBM78667

COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1sc2ccccc2c1Cl

BDBM78668

CN(C)CCCN(C(=O)c1ccc2CCCCc2c1)c1nc2ccc(C)cc2s1

BDBM69013

CCOC(=O)CCCSc1nnc(CCCCCN2C(=O)c3cccc4cccc(C2=O)c34)o1

BDBM76321

CN(C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1nc2ccc(C)cc2s1

BDBM78669

Cc1cc(C)c2=NC(=O)C(NNC(=S)NCC3CCCO3)=c2c1 |c:21,t:5|

BDBM78670

CCNC(=S)NNC1=c2cc(ccc2=NC1=O)C(C)C |c:7,14|

BDBM78671

[O-][N+](=O)c1ccc2[N-]C(=O)C(=[NH+]NC(=S)NCC3CCCO3)c2c1 |w:11.11|

BDBM78672

Clc1ccc(NC(=O)COC(=O)CCCCCN=C2NS(=O)(=O)c3ccccc23)cc1Cl |w:17.16|

BDBM78673

Cc1c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C

BDBM78674

CC(=O)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1

BDBM72267

Cc1cccc(NC(=S)NNC2=c3ccccc3=NC2=O)c1 |c:11,18|

BDBM78675

Oc1ccc2Sc3ccccc3CC(=O)c2c1

BDBM78676

Cc1cccc(Nc2cc(C)c3c(cccc3=O)[nH]2)c1C

BDBM78677

Cc1ccc2N(Cc3ccccc3)C(=O)C(=NNC(N)=S)c2c1 |w:16.17|

BDBM43873

NC(=S)NN=C1C(=O)N(Cc2ccc(F)cc2)c2ccccc12 |w:4.3|

BDBM47598

NC(=S)NNC1=c2cc(F)c(F)cc2=NC1=O |c:5,14|

BDBM78678

CC1CCN(CC1)c1c(NCc2ccc(cc2)C(=O)N2CCN(CC2)C2CCCCC2)c(=O)c1=O

BDBM78679

CCOc1ccc(cc1)-n1c(O)c2n([nH]c(-c3ccccc3)c2c1=O)-c1ccccc1

BDBM78680

CCOc1ccccc1NC(=O)C(OC(=O)c1ccc(O)cc1)c1ccccc1

BDBM78681

Cc1nc(N)sc1C(=O)NN=Cc1ccco1

BDBM72283

Fc1ccc(NC(=O)CNC(=O)CSc2cc(Cl)ccc2Cl)c(F)c1F

BDBM78682

Oc1ccc(C2=NN=C(NCc3ccc4OCOc4c3)SC2)c(O)c1 |t:5,7|

BDBM78683

Cc1ccccc1C(=O)NCC(=O)NNC(=S)NC(=O)c1ccccc1C

BDBM78684

CN1CCN(CC1)c1ccc(cc1NC(=O)c1ccc2ccccc2c1)S(=O)(=O)N1CCCCC1

BDBM50297037

Cn1nc(N)c2c(-c3ccccc3)c(C#N)c(N)nc12

BDBM60025

Cc1ccccc1C(=O)NCC(=O)NNC(=S)NC(=O)c1ccccc1

BDBM63289

Nc1nc(Cl)nc2ccc(Br)cc12

BDBM78685

CC(C)(C)c1ccc(cc1)C(=O)NCCCN1CCN(CCCNC(=O)c2ccc(cc2)C(C)(C)C)CC1

BDBM55637

Cn1nc(N)c2c(-c3ccc(Cl)cc3)c(C#N)c(N)nc12

BDBM78686

FC(F)Oc1ccc(cc1)C(=O)NCc1ccc[n+](CC(=O)Nc2ccc(SC(F)F)cc2)c1

BDBM78687

CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2ccc(cc2)[N+]([O-])=O)CC1

BDBM44064

CC(C)NC(=S)NNC1=c2cc(ccc2=NC1=O)C(C)C |c:8,15|

BDBM78688

[#6]-c1nn2c(nc(-[#7]-3-[#6]-[#6]-[#8]-[#6]-[#6]-3)c3ccccc23)c1\[#6]=[#6](\C#N)C#N

BDBM69054

[#6]-[#8]-c1ccc(cc1-[#8]-[#6])-c1nn(cc1-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])-c1ccccc1 |w:16.18|

BDBM33146

CCOC(=O)C(=Cc1cccc(O)c1)c1nc2sc(C)c(C)c2c(=O)[nH]1 |w:6.6|

BDBM78689

CC(C)OCCCNc1nc2c(nnn2c2ccccc12)-c1ccccc1

BDBM78690

Nc1ccc2Sc3ccccc3CC(=O)c2c1

BDBM78691

CCNC(=S)NNC(=O)c1ccccn1

BDBM75628

COc1ccc(NC(=S)NNC(=O)c2nnn(c2C)-c2ccccc2)cc1

BDBM78692

CC(=O)c1ccc(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc1

BDBM78693

C\C(=[NH+]/NC(=O)CSCc1ccc(cc1)[N+]([O-])=O)[c-]1ccccc1=O

BDBM78694

Cc1c(nnn1-c1ccccc1)C(=O)NNC(=S)Nc1ccc(C)cc1

BDBM78695

COc1ccc(COCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc1OC

BDBM78696

OC(COCc1ccc2OCOc2c1)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1

BDBM78697

CCc1ccc(OCC(O)CN2CCC(CN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc1

BDBM78698

Cc1ccc(NC(=O)c2ccc(NCCN)c(c2)[N+]([O-])=O)cc1Cl

BDBM78699

Fc1ccc(CN2C(=O)c3cccc4cccc2c34)cc1

BDBM78700

OC(COc1ccccc1CC=C)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

BDBM78701

COc1ccccc1[C@H]1[C@@H](N(N=C1c1cccc(C)c1)c1ccccc1)C(=O)N1CCOC1=O |c:12|

BDBM78702

CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCNCC1

BDBM78703

N[C@@H](CO)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCNCC1

BDBM78704

CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCNCC1

BDBM51824

COC(=O)[C@H](CCCCN)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC)C(=O)N1CCNCC1

BDBM78705

CC(=O)Nc1ccc2C(=O)N(C(=O)c2c1)c1cccc(C)c1

BDBM78706

OCc1ccc(CO[C@@H]2C[C@@H](C=C(O2)C(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)c2coc3ccccc3c2=O)cc1 |c:11|

BDBM78707

CCC(=O)NC(=S)NNC(=O)c1ccc(O)cc1

BDBM78708

CCc1ccc(cc1)-c1cc([nH]n1)C(=O)NN=Cc1ccccn1 |w:16.17|

BDBM78709

Clc1ccccc1-c1cc([nH]n1)C(=O)NN=Cc1ccccn1 |w:15.16|

BDBM70906

[O-][N+](=O)c1ccc(CSCC(=O)NN=Cc2cccnc2)cc1

BDBM78710

Cc1c(CN2CCC(CO)(CCOc3ccccc3)CC2)[nH]c2ccc(Cl)cc12

BDBM47603

COc1cc(C=C2SC(Nc3ccc(O)cc3)=NC2=O)cc(OC)c1O |w:5.4,c:17|

BDBM78711

COc1ccc(cc1Br)C(=O)NC(=S)NNC(=O)c1ccc(NC(C)=O)cc1

BDBM78712

OCCNC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23

BDBM78713

CC(C)CCNC(=O)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1)c1ccco1

BDBM78714

O=C1N(CCc2ccccc2)C(=O)c2cccc3cccc1c23

BDBM78715

COc1ccccc1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(CCCN1CCCC1=O)c2=O

BDBM78716

Cc1ccc(NC2=C(OC(=O)c3ccccc3C)OC(=O)C2Cl)cc1 |c:6|

BDBM78717

CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CNCC3CCCO3)cc12

BDBM65267

CCOc1ccc(Nc2nc(NCC3CCCO3)c3ccccc3n2)cc1

BDBM48784

CCN1CCN(CCNC(=O)c2ccc3S\C(=C/c4ccccc4)C(=O)N(Cc4ccc(F)cc4)c3c2)CC1

BDBM53891

C\C(Cl)=C/CN1C(=O)C(=NNC(N)=S)c2ccccc12 |w:9.9|

BDBM78718

Cc1cccc(c1)N(C(C(=O)NCC1CCCO1)c1cccs1)C(=O)c1snc(C(N)=O)c1N

BDBM78719

Cn1c2ncn(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O

BDBM78720

COc1ccccc1NC(=O)c1c(cnn1C)N=Cc1ccccc1O |w:17.18|

BDBM78721

O=C(N1CCOCC1)C(=O)c1cn(Cc2ccccc2)c2ccccc12

BDBM78722

Cc1c(Br)c(nn1CCCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[N+]([O-])=O

BDBM78723

CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CNCCCO)cc12

BDBM78724

COc1ccc(CCNC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(C)c(F)c3)c2=O)cc1OC

BDBM78725

CN1CCN(CC1)c1cc(C)c2cc(NC(=S)N3CCN(CC3)c3cc(C)ccc3C)ccc2n1

BDBM78726

CN1CCN(CC1)c1cc(C)c2cc(NC(=S)N3CCN(CC3)c3ccc(Cl)cc3)ccc2n1

BDBM51332

COc1ccc(C)c2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N(C)C

BDBM78727

Oc1ccccc1Nc1nc(NCc2ccccc2)c2ccccc2n1

BDBM78728

Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCCN2CCOCC2)cc1C

BDBM78729

CCCCN(C)CCNC(=O)c1ccc(Cn2c(=S)[nH]c3ccc(Br)cc3c2=O)cc1

BDBM78730

COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)NCCCN2CCOCC2)c1

BDBM55707

CCN1CCN(CCCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1

BDBM50331082

Cc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccccc2Br)CC1

BDBM64656

CC(C)C1CCC(C)CC1OC(=O)Cn1c(-c2ccc(Br)cc2)[n+](C)c2ccccc12

BDBM78731

NC(=S)NN=C1C(=O)N(CCCl)c2ccc(Cl)cc12 |w:4.3|

BDBM78732

[H]C12CC3([H])CC([H])(C1)CC(CC(=O)OCCc1sc[n+](CC(=O)c4ccccc4)c1C)(C2)C3 |TLB:8:1:33:6.9.5,8:6:33:1.32.2,THB:5:6:32:3.33.2|

BDBM51830

CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(C)c4)C3=O)cc2)CC1

BDBM78733

NC(=S)NN=C1C(=O)N(CCCl)c2ccccc12 |w:4.3|

BDBM78734

NS(=O)(=O)c1ccccc1NC(=O)c1c(O)c2ccccc2n(CC=C)c1=O

BDBM78735

CC(C)CC(N(CC1CCCO1)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C

BDBM78736

[#6]-[#8]-c1cc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:6.6|

BDBM78737

COc1ccccc1NC(=O)c1cc(ccc1F)S(=O)(=O)NCc1ccccc1

BDBM78738

COc1ccc(OC)c(C=CC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1 |w:9.8|

BDBM57801

Cc1ncc(C=O)c(CNNC(=S)Nc2ccc(Cl)c(Cl)c2)c1O

BDBM78739

Clc1ccc(cc1)C(=O)NNC(=O)CCCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O

BDBM78740

COCCCNC(=S)NNC(=O)c1ccccn1

BDBM78741

Cc1cccc(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c1C

BDBM78742

CNCc1cc(Br)c(OCC(=O)Nc2ccccc2OC)c(OC)c1

BDBM78743

Cc1ccccc1C(=O)N1CCN(CC1)c1ccc(NC(=S)NC(=O)c2cccs2)cc1

BDBM78744

Clc1ccccc1Cn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc12

BDBM78745

CC(=O)c1ccccc1OCC(O)CN1CCN(CCN2C(=O)c3cccc4cccc(C2=O)c34)CC1

BDBM78746

Cc1cc(C)c2nc(cc(C(=O)n3cccn3)c2c1)-c1ccccn1

BDBM78747

Fc1ccc(Cn2cc(C(=O)C(=O)N3CCOCC3)c3ccccc23)cc1

BDBM78748

CCCCC(=O)NC(=S)NNC(=O)c1ccc(OC)cc1

BDBM78749

Cc1ccc2cc3CCN(c3nc2c1)c1ccccc1

BDBM78750

O=C(NC(=S)Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1)c1cccs1

BDBM78751

CCOc1ccc(Cl)cc1C=NNC(N)=O |w:11.12|

BDBM78752

NC(=O)c1nsc(C(=O)N(C(C(=O)NCC2CCCO2)c2cccs2)c2ccc(Cl)cc2)c1N

BDBM78753

CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C/c1ccc(o1)-c1cccc(c1)[N+]([O-])=O

BDBM78754

COC(=O)c1c(NC(=S)NN2CCN(C)CC2)sc2CC(C)CCc12

BDBM55735

OC(COc1ccc(Cl)cc1Cl)Cn1c2ccccc2n(Cc2ccccc2)c1=N

BDBM52609

Oc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1 |c:10,17|

BDBM78755

CCCCc1ccc(\C=C(/C#N)C(N)=S)s1

BDBM78756

[H]C12CC3([H])CC(CN)(C1)CC(C2)(C3)c1ccc(Cl)cc1 |THB:12:11:5:1.9.2,12:1:5:11.10.13,2:1:10:3.5.13,14:11:5:1.9.2|

BDBM78757

[O-][N+](=O)c1ccc(CSCC(=O)NN=Cc2ccncc2)cc1

BDBM78758

O=C(CCCCCN1C(=O)c2cccc3cccc(C1=O)c23)NC1CCS(=O)(=O)C1

BDBM78759

COc1cc(cc(OC)c1O)C1C(C#N)C(=N)Oc2[nH]nc(-c3cccs3)c12

BDBM68115

CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12

BDBM78760

CCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1

BDBM78761

CCCCCc1ccc(OCCCC[n+]2cccc(C)c2)c(CCCCC)c1

BDBM78762

CN1CCN(CC1)C(=O)CCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O

BDBM78763

O=C1N(Nc2ccccc2)C(=O)c2cccc3cccc1c23

BDBM78764

CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc2nc(C)sc2c1

BDBM78765

CCOC(=O)c1c(NC(C)=O)sc2c(OCC(O)CNC(C)(C)C)c(Br)ccc12

BDBM78766

[H]C12CC3([H])CC(C)(C1)CC(CC(=O)OCCc1sc[n+](CC(=O)c4ccccc4)c1C)(C2)C3 |TLB:5:3:32:6.9.8,THB:7:6:32:3.33.2,5:6:32:3.33.2,2:3:9:1.32.8|

BDBM78767

CC(C)CC(N(Cc1ccc2OCOc2c1)C(=O)c1snc(C(N)=O)c1N)C(=O)NC1CCCC1

BDBM61534

Cc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1

BDBM51841

CCCCCCOc1ccc(cc1[N+]([O-])=O)[C+](C)[N-]NC1=[NH+]CC[N-]1 |t:21|

BDBM55765

Cc1c(CCOC(=O)C23CC4(C)CC(C)(CC(C)(C4)C2)C3)sc[n+]1CC(=O)c1ccccc1 |TLB:6:8:15:10.18.12,11:10:15:8.19.20,THB:17:16:12:8.20.9,6:8:16.15.18:12,19:16:12:8.20.9,19:8:16.15.18:12,9:8:15:10.18.12|

BDBM78768

CN(C)CCCNC(=S)NCCCNc1nc2c(C)cc(C)cc2cc1C#N

BDBM78769

O=C(CCc1ccccc1)NNC(=O)c1ccccn1

BDBM78770

Cc1cc(C)cc(c1)N(C(C(=O)NCC1CCCO1)c1cccs1)C(=O)c1snc(C(N)=O)c1N

BDBM68124

[H]C12CCCC([H])(CC(C1)NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)N2Cc1ccccc1

BDBM78771

Cc1cc(C)c(NC(=O)C[N+](C)(C)CC(O)COc2cccc3ccccc23)c(C)c1

BDBM78772

CN1CCN(CC1)c1cc(C)c2cc(NC(=S)N3CCN(CC3)c3ccc(F)cc3)ccc2n1

BDBM78773

CCN1CCN(CC1)c1cc(C)c2cc(NC(=S)N3CCN(CC3)c3ccc(F)cc3)ccc2n1

BDBM78774

O=c1n2CCCCCc2nc2ccc(NC(=S)NCCCN3CCC(Cc4ccccc4)CC3)cc12

BDBM78775

CN1CCN(CC1)c1cc(C)c2cc(NC(=S)N3CCN(CC3)c3cccc(Cl)c3)ccc2n1

BDBM63558

CCCC(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NC(C)(C)C

BDBM57871

CCCCCc1ccc(OCCCC[n+]2ccccc2)c(CCCCC)c1

BDBM78776

CN(CCNC(=O)CCCOc1cc(=O)n(C)c2ccccc12)Cc1ccccc1

BDBM78777

O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCC1CCCO1

BDBM78778

Cc1ccccc1C(=O)OC1=C(Nc2ccccc2)C(Cl)C(=O)O1 |c:11|

BDBM78779

CC(=NNC(=O)CSCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |w:2.2|

BDBM78780

O=C(CCCCn1c(=O)n(Cc2ccccc2)c2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1

BDBM78781

Fc1ccccc1Cn1c2ccccc2c(=O)n(CCCCC(=O)NC2CCN(Cc3ccccc3)CC2)c1=O

BDBM78782

Fc1cccc(Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)c1

BDBM78783

COc1ccc(cc1)-n1nc(C(=O)NCc2cc(OC)ccc2OC)c2c3ccccc3n(C)c2c1=O

BDBM78784

Brc1ccc(cc1)C1=NC2(CCCCCC2)NC1=O |t:8|

BDBM78785

O=C(NCCCN1CCCC1)c1ccc2SCCN(Cc3ccccc3)c2c1

BDBM78786

CCC(C)(C)c1ccc(OCCCC[n+]2ccccc2)c(c1)C(C)(C)CC

BDBM78787

Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(cc2)C(O)=O)cc1

BDBM78788

CC(=O)NC(=S)NNC(=O)c1ccc(Br)cc1

BDBM78789

CC1CC(C)CN(CCCNC(=O)C2CCN(CC2)c2ncnc3c2sc2cccc(F)c32)C1

BDBM78790

COc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCCCC(O)=O)cc1

BDBM78791

CCCN(CCC)CCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O

BDBM65397

CCC(C)(C)c1ccc(OCCCC[n+]2ccc(C)cc2)c(c1)C(C)(C)CC

BDBM78792

Brc1ccc2[nH]c(=S)n(-c3ccccc3)c(=O)c2c1

BDBM78793

CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC(C)(C)NC2(C)C

BDBM78794

COC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2c1CC(C)(C)NC2(C)C

BDBM78795

CC(C)N1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(=O)(=O)N1CCc3ccccc13)c2C(N)=O

BDBM78796

COC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc2c1CC(C)(C)NC2(C)C

BDBM55789

CCCCN(CC)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc(C)cc(C)c2s1

BDBM78797

Cc1c(NC(=O)CCCN2C(=O)c3cccc4cccc(C2=O)c34)c(=O)n(-c2ccccc2)n1C

BDBM78798

CN(C)CCOC(=O)c1ccc2[nH]c3CCSCc3c2c1

BDBM78799

CCCC(N(CC1CCCO1)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C

BDBM78800

COc1cc(cc(OC)c1OC)-c1nc2ccc(cc2[nH]1)N1CCN(C)CC1

BDBM78801

CC(C)CC(N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C

BDBM78802

Cc1ccc(o1)C(N(Cc1ccccc1)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C

BDBM54748

OCc1cc(=O)c(O)c(o1)C(Nc1cccc(c1)C(F)(F)F)c1ccccn1

BDBM78803

CCn1c(=O)cc([nH]c1=S)C(F)(F)F

BDBM78804

COc1cccc(Cn2cnc3c(c(C)c(C)cc23)[N+]([O-])=O)c1

BDBM74522

Cc1cc(NC(=O)Cn2c3ccccc3c(=O)n(CCCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)[nH]n1

BDBM78805

Cc1nc(N)sc1C(=O)NN=Cc1cccnc1

BDBM78806

Cc1cccc(n1)-n1cnc(c1)C(=O)NNC(=S)Nc1ccccc1

BDBM78807

S=c1[nH]c2ccccc2c2nc(nn12)-c1cccnc1

BDBM69308

[O-][N+](=O)c1c([nH][nH+]c1-c1cn[nH]c1)-c1cn[n-]c1

BDBM78808

Fc1ccc(SCCc2cc[n+](CC(=O)c3ccccc3)cc2)cc1

BDBM78809

COc1cccc(OCC(O)CN2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)c1

BDBM47665

COc1cc2nc(=S)[nH]c(Nc3ccc(NC(C)=O)cc3)c2cc1OC

BDBM78810

Brc1ccc2[nH]c(=S)n(Cc3ccc(cc3)C(=O)NCCCN3CCCC3)c(=O)c2c1

BDBM50197623

CC1CCN(CCCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccc(Cl)cc2)c3=O)CC1

BDBM66590

O=C(NCCN1CCN(CC1)c1ccccc1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1

BDBM78811

COc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN=C3N2CCNC(=O)CCC2CCCCC2)cc1 |c:20|

BDBM78812

COc1ccc(C[C@H]2CN3[C@H](CN=C3N2CCNC(=O)c2ccc(C)c(Br)c2)C(C)C)cc1 |c:12|

BDBM78813

CCC(C(=O)NCCC[C@H]1CN2[C@@H](Cc3ccc(O)cc3)CN=C2N1CCc1cccc(C)c1)c1ccccc1 |c:23|

BDBM78814

C[C@@H](CN1[C@H](Cc2ccc(O)cc2)CN2[C@@H](Cc3ccccc3)CN=C12)NC(=O)CCC1CCCCC1 |t:26|

BDBM78815

Oc1ccc(C[C@@H]2CN3[C@@H](Cc4ccccc4)CN=C3N2CCNC(=O)CCC2CCCCC2)cc1 |c:19|

BDBM51851

COc1ccc(CNC[C@@H](CCCCN(C)Cc2ccc(OC)cc2)N2C[C@@H](N(CCc3ccc(Cl)c(Cl)c3)C(=O)C2=O)c2ccccc2)cc1

BDBM78816

COc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN=C3N2CCNC(=O)c2ccc(C)c(Br)c2)cc1 |c:21|

BDBM54821

C[C@@H](CN1[C@H](Cc2ccc(O)cc2)CN2[C@H](Cc3ccccc3)CN=C12)NC(=O)c1ccc(C)c(Br)c1 |t:26|

BDBM78817

CCOc1ccc(cc1)-c1csc(NC(=O)c2cccc(c2)-n2c(O)ccc2O)n1

BDBM78818

COc1ccc(C[C@H]2CN3[C@@H](Cc4ccccc4)CN=C3N2CCNC(=O)c2ccc(C)c(Br)c2)cc1 |c:20|

BDBM78819

COc1ccc(C[C@H]2CN3[C@H](Cc4ccccc4)CN=C3N2CCNC(=O)CCC2CCCCC2)cc1 |c:20|

BDBM78820

Cc1ccc(cc1Br)C(=O)NCCN1[C@H](Cc2ccc(O)cc2)CN2[C@H](Cc3ccccc3)CN=C12 |t:37|

BDBM54822

COc1ccc(C[C@H]2CN3[C@H](CN=C3N2C[C@H](C)NC(=O)c2ccc(C)c(Br)c2)C(C)C)cc1 |c:12|

BDBM51852

CCC(C(=O)NCCC[C@H]1CN2[C@H](CN=C2N1CCc1ccc(Cl)c(Cl)c1)C1CCCCC1)c1ccccc1 |c:14|

BDBM78821

CCOc1cc(\C=C\C(=O)Nc2ccc(cc2)C(=O)NCCN(CC)CC)ccc1OCC(C)C

BDBM78822

CC(C)COC(=O)c1sc(N)nc1C

BDBM55768

CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12

BDBM78823

CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1ccc(Cl)cc1

BDBM78824

Clc1ccccc1C(=O)NCCC(=O)Nc1nc2ccccc2s1

BDBM78825

CN(C)CCCNc1nn2c(nc3scc(-c4ccc(C)cc4)c3c2=O)c2ccccc12

BDBM78826

CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)C(=C\c1ccc2OCOc2c1)\C#N

BDBM78827

Clc1ccccc1CNC(=O)COC(=O)Cn1cnc2ccccc2c1=O

BDBM65465

Cc1ccc2nc(sc2c1)-c1ccc(NC(=S)NC2CC(C)(C)NC(C)(C)C2)cc1

BDBM78828

CN(C1CCN(C)CC1)C(=O)\C=C\c1cn(nc1-c1cccs1)-c1ccccc1

BDBM78829

Cc1ccc(NC(=O)C[n+]2ccn(c2)[C-]2C(=O)c3ccccc3C2=O)cc1

BDBM78830

CC(C)c1ccc(NC(=O)C[n+]2ccn(c2)[C-]2C(=O)c3ccccc3C2=O)cc1

BDBM51856

CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccs2)-c2ccccc2)cc1

BDBM78831

Cc1cc(SCC(=O)NC(=O)c2cccn2C)nc2ccccc12

BDBM78832

COc1ccccc1NC(=O)Nc1nc(cs1)C(C)(C)C

BDBM51857

CN(C)CCCn1c(SCC(=O)Nc2nc(cs2)-c2cccc(Br)c2)nc2ccccc2c1=O

BDBM48892

CN(C)CCCn1c(SCC(=O)Nc2nc(cs2)-c2ccc(C)cc2)nc2ccccc2c1=O

BDBM68155

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cn(nc1-c1cccs1)-c1ccccc1 |w:4.3|

BDBM78833

CCOC(=O)C(NNc1cc(Cl)ccc1Cl)=NC1CCS(=O)(=O)C1 |w:16.17|

BDBM78834

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)CC(C)C

BDBM78835

CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C

BDBM78836

CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1

BDBM51858

CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1

BDBM78837

CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)C(C)CC

BDBM78838

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CO)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1

BDBM78839

CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C

BDBM78840

CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)C(C)CC

BDBM78841

CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CC(C)C

BDBM51860

CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1

BDBM78842

CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C

BDBM51861

CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C

BDBM51863

CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C

BDBM51866

CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C

BDBM51867

CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)CO

BDBM51869

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C

BDBM78843

CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1

BDBM78844

CCC(C)C(N)c1cn(nn1)C(Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1ccc(O)cc1)n1cc(nn1)C(N)C(C)CC

BDBM78845

CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(C)C

BDBM51873

CC(C)CC(N)c1cn(nn1)C(Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C(Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)Cc1ccc(O)cc1

BDBM78846

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1

BDBM51874

CCC(C)[C@H](N)c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C

BDBM78847

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H]([C@@H](C)CC)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1)n1cc(nn1)[C@@H](N)CC(C)C

BDBM78848

CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C

BDBM71134

CC(=C)CNC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:8.7|

BDBM78849

COCCNC(=S)NNC1=c2cc(C)cc(C)c2=NC1=O |c:9,18|

BDBM78850

COc1cccc(CNc2nc(nc3ccccc23)-c2cccnc2)c1

BDBM78323

CCCCNC(=S)NNC1=c2ccccc2=NC1=O |c:9,16|

BDBM78851

COc1cc(cc(OC)c1C)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCCC1

BDBM57991

CCOc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1 |c:12,19|

BDBM78852

O=C1CS(=O)(=O)CC1NNC1C(=O)N(Cc2ccccc2)c2ccccc12

BDBM78853

CCN1C(=O)C(=NNC(=S)NCC2CCCO2)c2ccccc12 |w:6.6|

BDBM78854

Cc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)NNCC(=O)Nc1cc(F)ccc1F

BDBM47089

CCn1c2ccccc2c(SCC(=O)N2CCN(CC2)C2CCCCC2)cc1=O

BDBM78855

CN1CCN(CCCNC(=O)c2cn(C3CCCCC3)c(=O)c3n(C)c4ccccc4c23)CC1

BDBM47113

CCn1c2ccccc2c(SCC(=O)NCCCN2CCN(CC2)c2ccc(F)cc2)cc1=O

BDBM47101

CCn1c2ccccc2c(SCC(=O)NCCCN2CCN(CC2)c2ccccc2F)cc1=O

BDBM78856

Fc1ccccc1N1CCN(CCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)CC1

BDBM78857

COc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc2nnc(-c3ccc(F)cc3)n2n1

BDBM78858

Cc1ccc(cc1)-c1noc(CCC(=O)NCC2CCN(Cc3cccc(C)c3)CC2)n1

BDBM78859

COc1ccccc1NC(=O)c1cc(ccc1F)S(=O)(=O)N1CCC2(CC1)OCCO2

BDBM60205

Oc1csc(=S)n1NC(=O)C(=O)Nn1c(O)csc1=S

BDBM78860

NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1

BDBM78861

CC(C)(c1ccccc1)c1ccc(OCC(O)CNC2CCN(Cc3ccccc3)CC2)cc1

BDBM78862

CCN(CC)CCCNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O

BDBM47691

CCNC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:6.5|

BDBM78863

CC(=O)n1cc([C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)Nc2ccccc2)c2ccccc12 |c:21|

BDBM78864

CC(=O)n1cc([C@@H]2C[C@H](OCCCCO)OC(=C2)C(=O)Nc2ccccc2)c2ccccc12 |c:16|

BDBM78865

CC(=O)n1cc([C@@H]2C[C@H](OCc3ccc(CO)cc3)OC(=C2)C(=O)NCC#C)c2ccccc12 |c:21|

BDBM78866

CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)CCCN1C(=O)c2cccc3cccc(C1=O)c23

BDBM51875

CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(cc2)C(=O)OC)cc1 |c:10,t:7|

BDBM78867

CNC(=O)COC(=O)\C=C\c1cn(nc1-c1ccc(C)o1)-c1ccccc1

BDBM54364

CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2C)c(c1)C(C)(C)CC

BDBM78868

CCN(CC)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3CCCCc3c21

BDBM78869

O=C(N1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1)c1ccc(cc1)S(=O)(=O)N1CCCC1

BDBM48845

CCCCCCCCCCCCCCCCn1cc[n+](C)c1

BDBM51876

Cc1ccc(cc1)-c1csc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3CCCc23)n1

BDBM45687

CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3CCCCc3c21

BDBM78870

[O-][N+](=O)c1ccc(cc1)C(=O)Cn1nc(CNc2ccc(Br)cc2)[n+]2CCCCCc12

BDBM55861

CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12

BDBM78871

O=C1N(Cc2cccnc2)C(=O)c2cccc3cccc1c23

BDBM78872

Cc1sc2ncnc(N)c2c1C

BDBM78873

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc2cccc(-[#8]-[#6]-c3ccccc3)c2n1 |w:4.3|

BDBM78874

Brc1ccc2=NC(=O)C(NNC(=S)NCC3CCCO3)=c2c1 |c:20,t:4|

BDBM78875

O=C(CCCCCN1C(=O)c2cccc3cccc(C1=O)c23)NCc1ccco1

BDBM78876

COc1ccccc1NC(=O)c1c(cnn1C)N=Cc1c(O)ccc2ccccc12 |w:17.18|

BDBM56757

CC1CC(C)(C)N2C(=O)\C(=N/NC(N)=S)c3cccc1c23

BDBM78877

O=C(CCCCCN1C(=O)c2cccc3cccc(C1=O)c23)NCc1cccnc1

BDBM78878

Cc1ccc(cc1)S(=O)(=O)n1cc(C=O)c2ccccc12

BDBM58067

Cc1ccc2nc(N=C(N)NC(=O)NC3CCCCC3)nc(C)c2c1 |w:7.6|

BDBM78879

Cc1[nH]c(=S)c(C#N)c(-c2ccccc2)c1C(=O)Nc1ccccc1

BDBM68174

Fc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1

BDBM71175

C(Nc1nc(Nc2ccccc2)nc2ccccc12)c1ccco1

BDBM61559

CN1Cc2c(CC1(C)C)c1c(N)c(sc1nc2N1CCOCC1)C(=O)c1ccc(Br)cc1

BDBM52817

OC(=O)CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O

BDBM78880

CN(C)CCCNc1cc(nc2c(cnn12)-c1ccccc1)C(C)(C)C

BDBM78881

CC(C)(C)c1cc(NCCCn2ccnc2)n2ncc(-c3ccccc3)c2n1

BDBM51877

CN(C)CCCNc1cc(nc2c(cnn12)-c1ccc(Cl)cc1)C(C)(C)C

BDBM46584

C(Nc1nc(NCc2ccccc2)c2ccccc2n1)c1ccccc1

BDBM78882

COc1cc2\C(=N\NC(N)=S)C(=O)N3c2c(c1)C(C)=CC3(C)C |c:20|

BDBM54099

CN1C(=O)C(C2=NN(C(C2)c2ccccc2)C(C)=O)C(=O)N(C)C1=O |t:5|

BDBM78883

CN(C)CCCNc1nc2sc3CCCCCc3c2c(=O)n1CCc1ccccc1

BDBM78884

CCOC(=O)c1cc(nc2ccc(C)cc12)-c1ccccc1

BDBM75100

Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCCN1CCOCC1

BDBM78885

CCN(CC)Cc1cc2[nH]c3c(cnc4cc(Cl)ccc34)c2cc1OC

BDBM78886

COc1ccccc1NC(=O)c1c(cnn1C)\N=C\c1cccc(c1)[N+]([O-])=O

BDBM55880

Cc1cc(N)c2cc(NC(=O)\C=C\c3ccccc3Cl)ccc2n1

BDBM60783

Nc1ccc(OCCCc2c(N)nc(N)nc2N)cc1

BDBM51881

CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)cc1 |w:16.16|

BDBM51882

CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16|

BDBM51883

CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc2OCOc2c1 |w:16.16|

BDBM51885

[O-][N+](=O)c1cc(ccc1C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1)C(=O)Nc1ccc(cc1)C1=[NH+]CC[N-]1 |t:20,36|

BDBM43864

Clc1cc(ccc1C(=O)Nc1ccc(cc1)C1=NCCN1)C(=O)Nc1ccc(cc1)C1=NCCN1 |t:18,34|

BDBM58125

NC(N)=c1ccc(=C\C=C2/C=CC(=CC2=O)C(N)=N)cc1 |c:10,12,(5.33,15.58,;4,14.81,;2.67,15.58,;4,13.27,;5.33,12.5,;5.33,10.96,;4,10.19,;4,8.65,;2.67,7.88,;2.67,6.34,;4,5.57,;4,4.03,;2.67,3.26,;1.33,4.03,;1.33,5.57,;,6.34,;2.67,1.72,;4,.95,;1.33,.95,;2.67,10.96,;2.67,12.5,)|

BDBM50658

Nc1nc(N)c2cc(Sc3ccc4ccccc4c3)ccc2n1

BDBM78887

CCCCN(C(=O)c1ccco1)c1nnc(s1)-c1cc(OC)c(OC)c(OC)c1

BDBM30975

CCN1C(=O)c2cccc3c(NC(=O)c4ccc(cc4)S(=O)(=O)N(C)C)ccc1c23

BDBM78888

CCN1C(=O)c2cccc3c(NC(=O)c4ccc(cc4)S(=O)(=O)N4CCOCC4)ccc1c23

BDBM78889

COc1cc(cc(OC)c1C)C(=O)Nc1nc2ccc(cc2s1)S(C)(=O)=O

BDBM65533

NC1=NC[C@H](Cc2ccccc2)N1CCCCC1CCCCC1 |t:1|

BDBM78890

NC1=NC[C@H](Cc2ccccc2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|

BDBM78891

NC1=NC[C@H](CC2CCCCC2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|

BDBM44248

NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|

BDBM55894

NC1=NC[C@H](Cc2ccc(O)cc2)N1CCc1cccc2ccccc12 |t:1|

BDBM78892

[H]C12CC3([H])CC([H])(C1)CC(CCN1[C@@H](Cc4ccc(O)cc4)CN=C1N)(C2)C3 |c:26,TLB:5:3:27:6.9.8,THB:2:3:9:1.27.8,5:6:27:3.28.2|

BDBM78893

NC1=NC[C@H](Cc2ccc(O)cc2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|

BDBM78894

NC1=NC[C@@H](N1CCCCC1CCCCC1)c1ccccc1 |t:1|

BDBM78895

NC1=NC[C@@H](N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |t:1|

BDBM78896

CCCC[C@@H]1CN=C(N)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:6|

BDBM78897

NC1=NC[C@@H](Cc2ccc(O)cc2)N1CCCCC1CCCCC1 |t:1|

BDBM78898

O=S(=O)([#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)c1ccc(-[#7]-[#6](=S)-[#7]\[#7]=[#6](/[#6]-2-[#6]-[#6]2)-[#6]-2-[#6]-[#6]-2)cc1

BDBM78899

COCCNC(=S)N[NH+]=C1C(=O)[N-]c2ccc(cc12)[N+]([O-])=O |w:8.7|

BDBM78900

O=c1n(-c2ccccc2)c(=S)[nH]c2ccsc12

BDBM51886

CCOC(=O)C1C(N=C(N)N=C1c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 |c:10,t:7|

BDBM78901

Cc1ccc2=NC(=O)C(NNC(N)=S)=c2c1 |c:13,t:4|

BDBM78902

NC(=S)NN=C1C(=O)N(CCCl)c2ccc(Br)cc12 |w:4.3|

BDBM53397

CC(=O)Nc1ccc(cc1)S(=O)(=O)NNC(=O)C(=O)NNc1ccccn1

BDBM78903

Cc1nc(N)sc1C(=O)NN

BDBM78904

Cc1ccc(cc1Br)C(=O)NCCN1[C@H](Cc2ccc(O)cc2)CN2[C@@H](Cc3ccc(O)cc3)CN=C12 |t:38|

BDBM78905

COc1ccc(C[C@H]2CN3[C@H](Cc4ccccc4)CN=C3N2CCNC(=O)c2ccc(C)c(Br)c2)cc1 |c:20|

BDBM78906

COc1ccc(C[C@H]2CN3[C@@H](Cc4ccc(O)cc4)CN=C3N2C[C@H](C)NC(=O)c2ccc(C)c(Br)c2)cc1 |c:21|

BDBM55900

CCCCCCNC(=O)N[C@H](C(C)C)C(=O)NCCC[C@H]1CN2[C@@H](Cc3ccccc3)CN=C2N1CCc1cccc(OC)c1 |c:33|

BDBM78907

C[C@@H](CN1[C@H](Cc2ccc(O)cc2)CN2[C@@H](Cc3ccccc3)CN=C12)NC(=O)c1ccc(C)c(Br)c1 |t:26|

BDBM78908

COc1ccc(C[C@@H]2CN3[C@@H](Cc4ccc(O)cc4)CN=C3N2C[C@H](C)NC(=O)CCC2CCCCC2)cc1 |c:21|

BDBM78909

Cc1ccc(NC(=O)CSc2ncnc3ccccc23)cc1S(=O)(=O)N1CCOCC1

BDBM78910

Cn1c2ccccc2c(OCCCC(=O)NCCN2CCN(CC2)c2ccccc2F)cc1=O

BDBM78911

Brc1ccc2[nH]c(=S)n(CCCC(=O)N3CCN(CC3)c3ccccn3)c(=O)c2c1

BDBM51890

CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)C(=O)c4c[nH]c5ccccc45)cc(OC)c3)cc2C(F)(F)F)CC1

BDBM78912

Cc1ccc(cc1)-c1nc2cc(ccc2c(O)c1O)C(=O)NCCCn1ccnc1

BDBM78913

COC(=O)c1ccc(CN2C(=O)C(=NNC(N)=S)c3ccccc23)o1 |w:13.13|

BDBM78914

CCC(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NC1CCCC1

BDBM78915

CCC(C)[C@H]1CN=C(N)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:6|

BDBM78916

Cc1c(Br)c(nn1C)C(=O)NNC(=O)c1ccc(cc1)C(C)(C)C

BDBM78917

Cc1ccc(cc1)C(=O)NNC(=O)c1nn(ccc1=O)-c1ccc(F)cc1

BDBM50244718

O=C(Nc1ccccc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1

BDBM78918

Fc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)NNC(=O)c1ccccc1Cl

BDBM71251

CN(C)C=Nc1nnc(Sc2cc(C)nc3ccccc23)s1

BDBM78919

Fc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)NNC(=O)c1ccc(Cl)cc1

BDBM78920

Fc1ccc(cc1)-n1ccc(=O)c(n1)C(=O)NNC(=O)c1ccc(cc1)C(F)(F)F

BDBM78921

CCOC(=O)N1CCc2c(C1)sc(NC(=O)CN(CC)CC)c2C#N

BDBM78922

[O-][N+](=O)c1cccc(\C=C2/CSc3ccc(Cl)cc3C2=O)c1

BDBM43497

CC(C)n1cnc2c(nc(nc12)N(CCN(C)C)Cc1ccccc1)N(C)c1ccccc1

BDBM50113682

CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)CCCO

BDBM78923

Clc1ccc(cc1)C1=NOC2(C1)C(=O)c1cc(Cl)ccc1OC21CCNCC1 |t:8|

BDBM51892

CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cnn(c4N)-c4ccccc4)cc(OC)c3)cc2C(F)(F)F)CC1

BDBM50113680

CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 |r|

BDBM55930

CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(c4)-c4ccc(cc4)C#N)cc(OC)c3)cc2C(F)(F)F)CC1

BDBM55932

CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc(n[nH]4)-c4ccc(OC)cc4)cc(OC)c3)cc2C(F)(F)F)CC1

BDBM68193

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cnc5cc(ccc5c4O)C(F)(F)F)c3)cc2C(F)(F)F)CC1

BDBM55933

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)c4cc(n[nH]4)-c4ccc(Br)cc4)c3)cc2C(F)(F)F)CC1

BDBM78924

COc1ccc(cc1)C(CCN1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

BDBM78925

COc1ccc(cc1)C(CCN1CCCC(C)C1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

BDBM78926

CCCCCc1cc(=O)oc2c(C(CCN(CC)CC)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12

BDBM78927

COc1cc(cc(OC)c1OC)C(CCN1CCCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

BDBM78928

CCN(CC)CCC(c1cc(OC)c(OC)c(OC)c1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

BDBM78929

CCCCCc1cc(=O)oc2c(C(CCN3CCCC3)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12

BDBM51895

CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc(OC)cc3)c(OC)cc(OC)c12

BDBM51897

CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc(OC)cc3)c(OC)cc(OC)c12

BDBM78930

CCCCCc1cc(=O)oc2c(C(CCN(CC)CC)c3ccc(OC)cc3)c(OC)cc(OC)c12

BDBM78931

CCN(CC)CCC(c1ccc(cc1)N(C)C)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

BDBM78932

CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3cc(OC)c(OC)c(OC)c3)c(OC)cc(OC)c12

BDBM52944

COc1cc(cc(OC)c1OC)C(CCN1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

BDBM78933

COc1ccc(O)c2c1oc1c3C4C=COC4Oc3cc(OC)c1c2=O |c:14|

BDBM65550

c1cc(c(c2c1[C@@H](O[C@@H](C2)C34CC5CC(C3)CC(C5)C4)CN)O)O

BDBM78934

CC(C)[C@H]1c2ccc(cc2CC[C@@]1(CCN(C)CCCc3[nH]c4ccccc4n3)OC(=O)COC)F

BDBM78935

CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)NC2CCN(CC2)C(=O)OC(C)(C)C)cc1

BDBM78936

CC[C@H](C)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)C(N)CO)n1cc(nn1)C(N)COC(=O)C(F)(F)F

BDBM78937

CC[C@H](C)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)C(N)CC(C)C)n1cc(nn1)C(N)COC(=O)C(F)(F)F

BDBM78938

CCC(C)[C@H]1CN=C(N)N1CCc1cccc2ccccc12 |t:6|

BDBM78939

FC(F)(F)c1cc(CCN2CCNC[C@@H]2Cc2ccccc2)cc(c1)C(F)(F)F

BDBM78940

CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1

BDBM78941

[#6]-[#6@@H]-1-[#8]-[#6@@H](-[#8]-c2c(oc3c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c3c2=O)-c2ccc(-[#8])cc2)-[#6@H](-[#8])-[#6@H](-[#8])-[#6@H]-1-[#8]

BDBM66679

Oc1ccc(C[C@H]2CNCCN2CCCCC2CCCCC2)cc1

BDBM78942

Oc1ccc(C[C@@H]2CNCCN2CCCCC2CCCCC2)cc1

BDBM78943

C([C@@H]1CNCCN1CC1(CC1)c1ccccc1)c1cccc2ccccc12

BDBM78944

CC(C)(C)CN1CCNC[C@H]1Cc1cccc2ccccc12

BDBM78945

FC(F)(F)c1cc(CCN2CCNC[C@H]2Cc2cccc3ccccc23)cc(c1)C(F)(F)F

BDBM78946

C(C1CCCCC1)N1CCNC[C@H]1Cc1cccc2ccccc12

BDBM78947

[H]C12CC3([H])CC([H])(C1)CC(CCN1CCNC[C@@H]1Cc1ccccc1)(C2)C3 |TLB:5:3:26:6.9.8,THB:5:6:26:3.27.2,2:3:9:1.26.8|

BDBM78948

C(CCN1CCNC[C@@H]1Cc1ccccc1)CC1CCCCC1

BDBM78949

COc1ccc(NC(=O)c2[nH]cnc2C(=O)NCc2ccccc2)cc1

BDBM78950

CCC(C)[C@H]1CNCCN1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM78951

[#6]\[#6]=[#6]-1/[#6]-[#8]C([#6]=[#6]-1\[#6]=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)([#6](=O)-[#7]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-1)C(F)(F)F |c:6|

BDBM78952

Cc1ncc(c(N)n1)S(=O)(=O)c1ccc(Cl)cc1

BDBM78953

Nc1ncc(cc1S(=O)(=O)c1ccccc1)[N+]([O-])=O

BDBM78954

CN(C)CCC(=O)C(Cc1ccccc1)c1ccccc1

BDBM78955

ClCCN1CCN(CC1)c1ccnc2cc(Cl)ccc12

BDBM78956

Cc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1C

BDBM78957

CN(C)CCCNC(=O)C(\NC(=O)c1ccc(C)cc1)=C\c1ccc(o1)-c1cccc(c1)[N+]([O-])=O

BDBM78958

COc1ccc(cc1)-c1csc(NC(C)c2nc3cc(ccc3n2Cc2ccc(C)cc2)C(=O)NCCCO)n1

BDBM51900

CCCCCCCCCCOC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc12

BDBM51901

CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12

BDBM78959

NCCNc1ccc(cc1[N+]([O-])=O)C(=O)N1c2ccccc2Sc2ccccc12

BDBM78960

OCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12

BDBM78961

Cc1ccnc(NCc2c(O)ccc3ccccc23)c1

BDBM51902

COc1ccc2nc(C)cc(N=NCc3ccc(F)cc3)c2c1 |w:11.10|

BDBM51903

CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc12

BDBM51904

CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12

BDBM78962

[#7]\[#6](-[#7])=[#7]\c1nc(-c2ccccc2)c2cc(Cl)ccc2n1

BDBM78963

CCCCCCOc1ccc(cc1)C(C)=NNC1=NCCN1 |w:15.16,t:18|

BDBM76133

COc1ccc(CN=Nc2cc(C)nc3ccc(OC)cc23)c(OC)c1 |w:8.8|

BDBM78964

Cc1cccc2N(C3OC(CO)C(O)C(O)C3O)C(=O)C(=NNC(N)=S)c12 |w:21.22|

BDBM53484

CC[n+]1c(\C=C\N(C)c2ccccc2)n(-c2ccccc2)c2ccc(cc12)-c1nc2ccccc2s1

BDBM78965

CCCC(N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C

BDBM58339

Cc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CC=C

BDBM51907

COc1ccc2nc(C)cc(N=NCc3cccc(OC)c3O)c2c1 |w:11.10|

BDBM78966

CC(C)CC(N(Cc1ccccc1Cl)C(=O)c1snc(C(N)=O)c1N)C(=O)NC(C)(C)C

BDBM78967

Cc1nc(N)c2c(Cc3cccc4ccccc34)nn(c2n1)C(C)(C)C

BDBM78968

CNCC(O)c1cc(F)c(OCc2ccccc2)c(OCc2ccccc2)c1F

BDBM78969

Oc1ccc(Cl)cc1Nc1nc(NCC2CCCO2)c2ccccc2n1

BDBM18456

COc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCCC1

BDBM78970

OCCNc1nc(Nc2cc(Cl)ccc2OC2CCCC2)nc(n1)N1CCCC1

BDBM18482

CC(C)Oc1ccc(Cl)cc1Nc1nc(NCCO)nc(n1)N1CCCC1

BDBM78971

CNCC(O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1F

BDBM51908

COc1ccc(CN=Nc2cc(C)nc3ccc(Br)cc23)cc1 |w:8.8|

BDBM51909

CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc12

BDBM78972

Oc1c(Cc2cnc[nH]2)[nH]c(=S)n1-c1ccccc1

BDBM78973

C[C@]12CCC3C(CC[C@H]4CCCC[C@]34C)C1CC[C@@]2(O)CNCCO

BDBM67655

CCCCCCCCCCOC(=O)Cn1c(COc2ccc(Cl)cc2)[n+](C)c2ccccc12

BDBM78974

Oc1ccc2ccccc2c1CNc1ccccn1

BDBM78975

CCCCCCCCC(=O)N1CCN(CC1)c1cc2n(CC)cc(C(O)=O)c(=O)c2cc1F

BDBM78976

COc1ccc(cc1)C1c2ccc3ccccc3c2Oc2ncn(CCCN(C)C)c(=N)c12

BDBM58367

CCCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12

BDBM51912

CCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12

BDBM78977

CN(C)CCCn1cnc2Oc3c(ccc4ccccc34)C(c3ccccc3)c2c1=N

BDBM78978

CN(C)CCn1cnc2Oc3c(ccc4ccccc34)C(c3ccccc3)c2c1=N

BDBM51758

CN1CCCC1CCNc1ccc2c(c1)oc1cc(C)c(C)cc1c2=O

BDBM78979

COc1ccc2[nH]cc(CCNC(=O)Nc3ccccc3)c2c1

BDBM61575

CN(C)CCNC(=O)c1cc2CSc3cc(Cl)ccc3-c2s1

BDBM78980

CCN(CC)CCNC(=O)c1cc2CSc3ccccc3-c2s1

BDBM78981

CCCCN(CC)CCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O

BDBM78982

CCOCCCNC(=O)c1cn(CC(C)C)c(=O)c2n(C)c3ccccc3c12

BDBM78983

CCCCN(C)CCNC(=O)c1cc2c(nn(C)c2s1)-c1cccc(OC)c1

BDBM78984

CCN(CC)CCNC(=O)c1cc2c(s1)c1ccccc1n(C)c2=O

BDBM78985

COc1ccc(Nc2cc(Nc3cc(OC)c(OC)c(OC)c3)ncn2)cc1

BDBM58414

CC(C)(C)c1ccc(cc1)C(=O)NN=Cc1ccccn1

BDBM51914

CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1cc2ccccc2oc1=O |w:16.16|

BDBM78986

COc1cccc(c1)-c1nn(C)c2sc(cc12)C(=O)NCCCN(C)Cc1ccccc1

BDBM78987

CCN(CC)CCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O

BDBM78988

CCCCN(CC)CCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O

BDBM78989

CCCN(CCC)CCCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O

BDBM78990

COc1ccc(cc1)C(=O)Nn1c(C)nc2ccccc2c1=O

BDBM78991

CN1CCC(CN)(CC1)N1CCN(CC1)c1ccccc1

BDBM78992

CCCCN(C)CCCNC(=O)c1cc(nc2ccccc12)-c1cccs1

BDBM78993

CCCCN(CC)CCCNC(=O)c1cc2c(s1)c1ccccc1n(CC)c2=O

BDBM78994

CCc1ccc(cc1)C(=O)Nn1c(C)nc2ccccc2c1=O

BDBM78995

CCn1c2ccccc2c2sc(cc2c1=O)C(=O)NCCN(C)C

BDBM78996

COC(=O)c1cc(nc2ccccc12)-c1cccs1

BDBM78997

[O-][N+](=O)c1cccc(COC(=O)c2cccnc2Cl)c1

BDBM78998

CN(C)C(CNC(=O)c1coc2ccccc2c1=O)c1ccccc1

BDBM78999

CN(C)S(=O)(=O)c1cccc(COc2ncnc3c(Cl)cc(Cl)cc23)c1

BDBM79000

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(-[#8]-[#6]-c2ccccc2)c(-[#8]-[#6]-c2ccccc2)c1 |w:4.3|

BDBM58452

CN(C)CCCNC(=S)NCC(c1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl

BDBM51917

CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12

BDBM79001

Fc1cccc(CN2C(=O)c3cccc4cccc2c34)c1

BDBM65629

CCOC(=O)c1c(oc2ccc(OCC(O)CN(C)C)cc12)-c1ccccc1

BDBM51918

CCOC(=O)c1c(NC(=O)CNCCN(C)C)scc1-c1ccc(cc1)-c1ccccc1

BDBM79002

CCOC(=O)c1c(oc2ccc(OCC(O)CNCCN(C)C)cc12)-c1ccccc1

BDBM65630

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc(cc1)-[#7](-c1ccccc1)-c1ccccc1 |w:4.3|

BDBM79003

CCCC(=O)N(CCN1CCOCC1)c1nc2c(C)cccc2s1

BDBM79004

CCC(C)NC(C(=O)c1c[nH]c2c(CC)cccc12)c1ccccc1

BDBM79005

Cc1ccc(C)c(c1)S(=O)(=O)c1c[nH]c(=S)[nH]c1=O

BDBM79006

CCNC(C(=O)c1c[nH]c2c(CC)cccc12)c1ccccc1

BDBM61639

CCN(CC)CCCNc1ccc(cn1)-c1nnc(o1)-c1ccc(OCC(C)C)cc1

BDBM79007

COc1ccnc2n(C)c(=O)n(Cc3cccc(F)c3)c(=O)c12

BDBM79008

COc1ccc(CN2C(=O)c3cccc4cccc2c34)cc1F

BDBM79009

CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cn(nc2-c2cccc(OC)c2)-c2ccc(F)cc2)cc1

BDBM79010

COc1ccnc2n(C)c(=O)n(Cc3ccc(Cl)cc3)c(=O)c12

BDBM64749

Fc1cccc(c1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=S

BDBM79011

CN(C)c1ccc(NC(=O)CN2CCC(CC2)NC(=O)C2CCCCC2)cc1

BDBM79012

CCOc1ccccc1NC(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1

BDBM79013

Cc1cccc(c1)N(C(C(=O)NCC1CCCO1)c1c[nH]c2ccccc12)C(=O)c1snc(C(N)=O)c1N

BDBM79014

NCCc1nc2ccc(Cc3ccc4nc(CCN)[nH]c4c3)cc2[nH]1

BDBM79015

CCN(CCCNC(=O)c1cc2c(nn(C)c2s1)-c1cccc(OC)c1)Cc1ccccc1

BDBM53218

Nc1ccc2nc([nH]c2c1)-c1cccc(n1)-c1nc2ccc(N)cc2[nH]1

BDBM79016

COc1cc2nc(Nc3ccc(C)c(Cl)c3)nc(N)c2cc1OC

BDBM79017

COCCNc1nc2c(nnn2c2ccccc12)-c1cccc(c1)C(F)(F)F

BDBM79018

CCOC(=O)c1c(NC(=O)C(NCCN(C)C)c2ccccc2)sc2CCCCc12

BDBM79019

COc1cc(cc(OC)c1OC)-c1cc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c2ccccc2n1

BDBM79020

Cc1nc2cc(Cl)c(cc2n1CCN1CCCCC1)N1CCN(CC1)c1nc(cs1)-c1ccc(C)cc1

BDBM79021

CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12

BDBM79022

CCCCCN=C(N)NN=Cc1c[nH]c2ccc(OC)cc12 |w:5.4,9.8|

BDBM61587

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccc(OC)cc2)=N[C@H]1c1cccc(F)c1 |c:4,27|

BDBM51924

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(c2)C(F)(F)F)=N[C@H]1c1cccc(F)c1 |c:4,29|

BDBM79023

[H][C@]12[C@H](N(C(=O)CNCCCC)[C@@](C)(C(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@]1([H])C(=O)N(CC)C2=O)c1ccc(OC)cc1

BDBM69909

CCN1CCN(CCCNC(=O)c2ccc3S\C(=C\c4cccc(C)c4)C(=O)Nc3c2)CC1

BDBM79024

CC1CCCN(CCCNC(=O)c2cc3COc4cccc(C)c4-c3s2)C1

BDBM79025

CC1CCN(CCCNC(=O)c2cc3COc4cccc(C)c4-c3s2)CC1

BDBM79026

CC1CC(C)CN(CCCNC(=O)c2cc3COc4ccccc4-c3s2)C1

BDBM79027

CCCN1CCN(CCCNC(=O)c2cc3COc4cccc(C)c4-c3s2)CC1

BDBM69912

Cc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCC2)c1

BDBM79028

Brc1cccc(Cn2c(=S)[nH]c3cc(ccc3c2=O)C(=O)NCCCN2CCOCC2)c1

BDBM79029

CCOc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(CCCC(=O)NC3CCN(Cc4ccccc4)CC3)c2=O)cc1

BDBM79030

CN1CCN(CCCNC(=O)c2ccc(\C=C3/Oc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1

BDBM54990

Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCCCN4CCCCCC4)nn3c2C)cc1

BDBM79031

COc1ccc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCCN2CCCC2)cc1

BDBM79032

CC1CCN(CCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccc(Cl)cc2)c3=O)CC1

BDBM79033

CC1CCCCN1CCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccc(Cl)cc1)c2=O

BDBM69940

COc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCCCC2)c1

BDBM69942

COc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCCCC2)cc1

BDBM79034

COc1ccccc1NC(=O)c1cc(ccc1F)S(=O)(=O)N1CCCCCC1

BDBM79035

Clc1ccc(CN2CCC(CNC(=O)C3CCCN(C3)c3ncnc4n5CCCCCc5nc34)CC2)cc1

BDBM79036

O=C(NCCCN1CCCCC1)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12

BDBM79037

Cc1ccccc1CN1CCC(CNC(=O)C2CCCN(C2)c2ncnc3n4CCCCCc4nc23)CC1

BDBM79038

NS(=O)(=O)c1ccc(CCNC(=O)C2CCN(CC2)c2ncnc3n4CCCCCc4nc23)cc1

BDBM79039

Fc1ccc(CN2CCC(CNC(=O)C3CCCN(C3)c3ncnc4n5CCCCCc5nc34)CC2)cc1

BDBM79040

Clc1cccc(CN2CCC(CNC(=O)C3CCCN(C3)c3ncnc4n5CCCCCc5nc34)CC2)c1

BDBM79041

Fc1ccc(NC(=O)C2CCN(CC2)c2ncnc3n4CCCCCc4nc23)cc1Cl

BDBM79042

CCOC(=O)c1cccc(NS(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCCCC2)c1

BDBM48033

COc1ccc(cc1)-c1cc2n(cnn(CC(=O)NCCCN3CCC(Cc4ccccc4)CC3)c2=O)n1

BDBM79043

CCC(C)N(CCNC(=O)c1ccc2Sc3ccccc3C(=O)Nc2c1)C1CCCCC1

BDBM79044

Cc1ccc(C)c(c1)N1CCN(CCCNC(=O)CCC(=O)N2CCOc3ccc(Cl)cc23)CC1

BDBM79045

CC1CN(C(=O)CCC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c2cc(Cl)ccc2O1

BDBM65890

CCCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1

BDBM66855

CC(C)c1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccc(C)cc2)s1

BDBM65894

CCCc1nnc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)s1

BDBM79046

CCc1ccc(cc1)-c1cc2n(n1)c(C)nn(CC(=O)NCCCN1CCC(Cc3ccccc3)CC1)c2=O

BDBM79047

Cc1ccc(CN2CCC(CNC(=O)c3ccc(NC(=O)C4=CSCCO4)cc3)CC2)cc1 |t:21|

BDBM67677

Fc1ccc(cc1)N1CCN(CCCNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)CC1 |t:25|

BDBM79048

Cc1ccc2OCCN(C(=O)CCC(=O)NCCCN3CCC(Cc4ccccc4)CC3)c2c1

BDBM79049

Cc1nn(C(=O)CCCC(=O)NCc2ccccc2C)c2ccccc12

BDBM79050

O=C(NCCCN1CCN(CC1)c1ccccc1)C1CCCN(C1)c1ncnc2n3CCCCCc3nc12

BDBM79051

Cc1ccc(NC(=O)C2CCN(CC2)c2ncnc3n4CCCCCc4nc23)cc1Cl

BDBM79052

CN1CCN(CC1)C(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12

BDBM79053

COc1ccnc2n(C)c(=O)n(Cc3ccc(F)cc3)c(=O)c12

BDBM79054

COc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N

BDBM79055

CCOc1ccc(cc1)N(C(C(C)C)C(=O)NC1CCCC1)C(=O)c1snc(C(N)=O)c1N

BDBM79056

Cc1cccc(c1)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N

BDBM79057

CC(C)c1ccc(cc1)N(C(C(=O)NCC1CCCO1)c1ccc(C)o1)C(=O)c1snc(C(N)=O)c1N

BDBM79058

CCOc1ccc(cc1)N(C(CC)C(=O)NC1CCCC1)C(=O)c1snc(C(N)=O)c1N

BDBM79059

CCC(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(OC)cc1)C(=O)NC1CCCC1

BDBM79060

COc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccc2ncccc2c1)C(=O)c1snc(C(N)=O)c1N

BDBM79061

COc1cccc(c1)N(C(C(=O)NCC1CCCO1)c1c[nH]c2ccccc12)C(=O)c1snc(C(N)=O)c1N

BDBM79062

Cc1ccc(cc1)N(C(C(=O)NCC1CCCO1)c1c[nH]c2ccccc12)C(=O)c1snc(C(N)=O)c1N

BDBM79063

Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)c(C)c1)C(=O)NCC1CCCO1

BDBM79064

CCc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N

BDBM79065

Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1)C(=O)NC1CCCC1

BDBM79066

Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F)C(=O)NCC1CCCO1

BDBM58573

COc1cc(\C=C\c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1

BDBM64312

NC(=O)c1nsc(C(=O)N(C(C(=O)NC2CCCC2)c2ccco2)c2cccc(F)c2)c1N

BDBM79067

CCOc1ccc(cc1)N(C(C(=O)NCC1CCCO1)c1c[nH]c2ccccc12)C(=O)c1snc(C(N)=O)c1N

BDBM79068

Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1cccc(C)c1)C(=O)NC1CCCC1

BDBM79069

NC(=O)c1nsc(C(=O)N(C(C(=O)NCC2CCCO2)c2c[nH]c3ccccc23)c2ccc(F)cc2)c1N

BDBM79070

CCc1ccc(cc1)N(C(C(=O)NCC1CCCO1)c1ccco1)C(=O)c1snc(C(N)=O)c1N

BDBM79071

Cc1ccc(cc1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NCC1CCCO1

BDBM51929

CC[C@@H](C)[C@H](CNC)NC[C@@H](Cc1cccc2ccccc12)NCCc1cccc(c1)C(F)(F)F

BDBM79072

CCC[C@H](CN[C@@H](CNC)[C@H](C)CC)NCCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM79073

[H]C12CCC(CCN[C@H](CCCC)CN[C@@H](CNC)[C@H](C)CC)(CC1)C2

BDBM79074

CNC[C@@H](CC1CCCCC1)NC[C@H](CC(C)C)NCCc1cccc(c1)C(F)(F)F

BDBM79075

CCC[C@@H](CN[C@@H](CNC)[C@H](C)CC)NCC1CCC(CC1)C(C)(C)C |wU:3.13,wD:6.5,10.10,(12.42,-4.62,;11.08,-3.85,;11.08,-2.31,;9.75,-1.54,;8.41,-2.31,;8.41,-3.85,;7.08,-4.62,;5.75,-3.85,;4.41,-4.62,;3.08,-3.85,;7.08,-6.16,;8.41,-6.93,;5.75,-6.93,;5.75,-8.47,;9.75,,;11.08,.77,;11.08,2.31,;9.75,3.08,;9.75,4.62,;11.08,5.39,;12.42,4.62,;12.42,3.08,;11.08,6.93,;11.08,8.47,;12.62,6.93,;9.54,6.93,)|

BDBM79076

CCOc1ccc(cc1)N(C(C(=O)NCC1CCCO1)c1ccc(C)o1)C(=O)c1snc(C(N)=O)c1N

BDBM79077

Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc(F)cc1)C(=O)NCC1CCCO1

BDBM79078

COc1ccc(cc1OC)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N

BDBM79079

NC(=O)c1nsc(C(=O)N(C(C(=O)NCC2CCCO2)c2c[nH]c3ccccc23)c2cccc(F)c2)c1N

BDBM79080

CCN1CCN(CCNC(=O)c2ccc3nc(-c4cccc(C)c4)c(nc3c2)-c2cccc(C)c2)CC1

BDBM79081

O=C(CCCn1c(=S)[nH]c2ccsc2c1=O)NCCc1ccccc1

BDBM79082

Cc1cccc(C)c1NC(=O)Cn1c2ccccc2c(=O)n(CCCC(=O)NC2CCN(Cc3ccccc3)CC2)c1=O

BDBM65651

CN1CCN(CCCNC(=O)c2ccc(\C=C3/Oc4ccccc4N(Cc4ccc(Cl)cc4)C3=O)cc2)CC1

BDBM70011

COc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCN2CCCC2)c1

BDBM64345

Cc1nn(CC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c(=O)c2cc(nn12)-c1ccccc1

BDBM79083

COc1ccc(cc1)-c1cc2n(n1)c(C)nn(CC(=O)NCCCN1CCC(CC1)N1CCCCC1)c2=O

BDBM79084

CCCS(=O)(=O)c1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1

BDBM71472

CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1

BDBM79085

Fc1ccccc1N1CCN(CCCNC(=O)CCC(=O)N2CCOc3ccc(Cl)cc23)CC1

BDBM79086

CCN1[C@H](C)[C@H]([C@H](CCc2ccccc2)N=C1NCc1ccc(OC)cc1)C(=O)NCc1ccc(OC)cc1 |c:16|

BDBM70025

Clc1cccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)NCCCN2CCOCC2)c1

BDBM79087

COc1ccc(cc1)N(C(C(=O)NC1CCCCC1)c1ccc(C)o1)C(=O)c1snc(C(N)=O)c1N

BDBM79088

CCC(C)(C)NC(=O)C(N(Cc1ccc2OCOc2c1)C(=O)c1snc(C(N)=O)c1N)c1ccc(C)o1

BDBM79089

Cc1ccc(o1)C(N(C(=O)c1snc(C(N)=O)c1N)c1cc(C)cc(C)c1)C(=O)NCC1CCCO1

BDBM79090

NC(=O)c1nsc(C(=O)N(C(C(=O)NCc2ccc(F)cc2)c2ccc(O)cc2)c2ccccc2F)c1N

BDBM79091

CCOc1ccc(cc1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1F)C(=O)NCC1CCCO1

BDBM79092

Cc1ccc(cc1)N(C(C(=O)NC1CCCC1)c1ccco1)C(=O)c1snc(C(N)=O)c1N

BDBM79093

COc1ccc(cc1OC)N(C(C(=O)NC1CCCC1)c1cccs1)C(=O)c1snc(C(N)=O)c1N

BDBM79094

CCCC[C@@H](CNC)NC[C@H](NCCCCC1CCCCC1)C(C)C

BDBM79095

CNC[C@@H](Cc1ccccc1)NC[C@@H](CC1CCCCC1)NCCCc1ccccc1

BDBM79096

[H][C@]12C(N(C(=O)CNC3CCCCC3)[C@@](C)(C(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[C@@]1([H])C(=O)N(CC)C2=O)c1ccc(OC)cc1

BDBM79097

CC[C@H](C)[C@@H](CN[C@H](C)CNC)NCCC(c1ccccc1)c1ccccc1

BDBM79098

CC[C@@H](C)[C@H](CN[C@H](CNC)C(C)C)NC[C@@H](C)c1ccc(CC(C)C)cc1

BDBM71479

CC(=O)Nc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1

BDBM79099

NC(=O)c1nsc(C(=O)N(C(C(=O)NC2CCCC2)c2ccc(O)cc2)c2cccc(F)c2)c1N

BDBM79100

CCOc1ccc(cc1)C(N(C(=O)c1snc(C(N)=O)c1N)c1ccc2OCCOc2c1)C(=O)NCC1CCCO1

BDBM79101

Fc1ccc(cc1)N1CCN(CCCNC(=O)C2CCCN(C2)c2ncnc3n4CCCCCc4nc23)CC1

BDBM79102

CC1CCCC(C)N1CCCNC(=O)C1CCCN(C1)c1ncnc2n3CCCCCc3nc12

BDBM79103

Fc1ccccc1CN1CCC(CNC(=O)C2CCCN(C2)c2ncnc3n4CCCCCc4nc23)CC1

BDBM79104

CN1CCN(CCNC(=O)c2ccc3nc(-c4cccc(C)c4)c(nc3c2)-c2cccc(C)c2)CC1

BDBM79105

CCOC(=O)N1CCN(CC1)C(=O)c1ccc2SCCN(Cc3ccccc3)c2c1

BDBM79106

CCOC(=O)N1CCN(CC1)C(=O)c1ccc2SCCN(Cc3ccc(F)cc3)c2c1

BDBM79107

Clc1ccc2OCCN(C(=O)CCC(=O)NCCCN3CCC(Cc4ccccc4)CC3)c2c1

BDBM79108

COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(cc2)[N+]([O-])=O)cc1

BDBM79109

CCCN1CCN(CC1)C(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12

BDBM79110

CCC1CCCCN1CCCNC(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12

BDBM58623

CNC[C@H](Cc1ccccc1)NC[C@@H](Cc1cccc2ccccc12)NCCc1ccc(C)cc1

BDBM51933

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)C(=O)c4c[nH]c5ccccc45)c3)cc2C(F)(F)F)CC1

BDBM51934

Cc1nc(Nc2cnc(\C=C\c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)cc(n1)N1CCNCC1

BDBM58638

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(\C=C\c4cnc(Nc5cc(nc(C)n5)N5CCNCC5)cn4)c3)cc2C(F)(F)F)CC1

BDBM51935

CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cncc(c4)-c4cccs4)cc(OC)c3)cc2C(F)(F)F)CC1

BDBM79111

Clc1ccccc1\C=C1/SC(=S)N(CCC(=O)NCCCN2CCOCC2)C1=O

BDBM47925

NC(=O)CCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccccc2[n+]1[O-]

BDBM79112

CCOC(=O)c1c(NC(=O)COc2ccccc2C#N)sc2c1CC(C)(C)NC2(C)C

BDBM79113

CCOc1ccc(cc1)-c1nc(c(NC)o1)S(=O)(=O)c1ccccc1

BDBM79114

Brc1cccc(c1)-c1nc(cc2c3ccccc3[nH]c12)C(=O)NCCCN1CCOCC1

BDBM79115

CCCCCCCNC(=O)C1(CC2CC(=NO2)c2ccc(Cl)cc2)CCNCC1 |c:14|

BDBM64762

Cc1cc(C)cc(OCC(=O)NNC(=S)NC(=O)C2CC2)c1

BDBM58678

COc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)cc1

BDBM79116

CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)cc1

BDBM79117

CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)N1CCCC1)c2C(N)=O

BDBM79118

CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)NCCCN1CCOCC1)c2C(N)=O

BDBM79119

CCOC(=O)N1CCN(CC1)C(=O)C(=O)Nc1sc2COC(C)(C)Cc2c1C(N)=O

BDBM79120

CC1(C)Cc2c(CO1)sc(NC(=O)C(=O)NCC1CCCO1)c2C(N)=O

BDBM79121

NC(=O)c1c(NC(=O)C(=O)NCCCN2CCOCC2)sc2CCCCc12

BDBM79122

COc1ccc(Cl)cc1C=NNC(=O)c1c(C)onc1-c1ccccc1

BDBM79123

COc1ccc(CCN(C)C(=O)c2ccc(COc3ccccc3)o2)cc1OC

BDBM79124

COC(=O)c1c(NC(=O)C(=O)N2CCCC2)sc2COC(C)(C)Cc12

BDBM79125

CCc1ccc(OCC(=O)NNC(=O)c2cnccn2)c(Br)c1

BDBM64766

Cc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)c(C)c1

BDBM79126

CN(CCNC(=O)C1CCN(CC1)c1ncnc2n3CCCCCc3nc12)Cc1ccccc1

BDBM79127

CCN(CC(=O)NCc1cccs1)C(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1OC

BDBM79128

COc1cc(cc(OC)c1OC)-c1nc(cc2c3ccccc3[nH]c12)C(=O)NC1CCN(Cc2ccccc2)CC1

BDBM79129

Brc1cccc(c1)C1=NOC(CC2(CCNCC2)C(=O)NCC2CCCCC2)C1 |t:8|

BDBM79130

CSCCC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1csc(n1)N1CCOCC1

BDBM79131

CCCCCCCNC(=O)C1(CC2CC(=NO2)c2cccc(Br)c2)CCNCC1 |c:14|

BDBM79132

COc1ccc(cc1)C(CNC(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1F)N(C)C

BDBM79133

Clc1ccc(cc1)C1=NOC(CC2(CCNCC2)C(=O)NCC2CCCCC2)C1 |t:8|

BDBM55354

CCN(CC)CCOc1ccc(cc1)/C(=C(\c2ccccc2)/Cl)/c3ccccc3

BDBM79134

CCCCCCSc1cc(ccc1OC)-c1nc2cc(C)ccn2c1NC1CCCCC1

BDBM79135

CC1(C)Cc2c(C(N)=O)c(NC(=O)COc3ccc(Cl)cc3Cl)sc2C(C)(C)N1

BDBM76142

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2cc(C)cc(C)c2s1

BDBM79136

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)C1CCCCC1)c1nc2cc(C)cc(C)c2s1

BDBM79137

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1)c1nc2cc(C)cc(C)c2s1

BDBM71520

CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc(C)cc(C)c2s1

BDBM79138

CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc3OCCOc3cc2s1

BDBM79139

CN(C)CCCN(C(=O)c1ccc(cc1)C(=O)c1ccccc1)c1nc2cc3OCCOc3cc2s1

BDBM79140

CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)C(=O)c1ccccc1

BDBM76143

COc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

BDBM79141

COc1cc2nc(sc2cc1OC)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

BDBM79142

CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1ccccc1OCC

BDBM51939

CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

BDBM79143

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1nc2ccc(Br)cc2s1

BDBM79144

CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N(CC)Cc1ccccc1

BDBM79145

CN(C)CCCN(C(=O)c1ccc(cc1)C(=O)c1ccccc1)c1nc2cc3OCOc3cc2s1

BDBM66945

COc1ccc2sc(nc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

BDBM66946

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(F)cc2s1

BDBM79146

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1)c1nc2cc3OCOc3cc2s1

BDBM79147

Cc1cccc2sc(nc12)N(CCN1CCOCC1)C(=O)CCS(=O)(=O)c1ccccc1

BDBM64465

COc1ccc(OC)c2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

BDBM65874

Cc1ccc(O)c(CNCCNCc2cc(C)ccc2O)c1

BDBM79148

CCc1ccc(O)c(CNCCNCc2cc(CC)ccc2O)c1

BDBM71524

CCCCCCCCCCOCn1c[n+](Cc2ccccc2)c2ccccc12

BDBM79149

CC1(C)Cc2c(sc(NC(=O)c3ccc4OCCOc4c3)c2C(N)=O)C(C)(C)N1

BDBM79150

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1)c1nc2cc3OCOc3cc2s1

BDBM79151

COc1ccc2sc(nc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1

BDBM66950

CCc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

BDBM79152

CNC(=O)c1ccsc1NC(=O)C1CCCN1S(=O)(=O)c1cccs1

BDBM79153

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1nc2cc3OCCOc3cc2s1

BDBM79154

CCOc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)C(=O)c1ccccc1

BDBM76149

CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc1ccccc1

BDBM66953

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(C)cc2s1

BDBM76150

CCOc1ccc2nc(sc2c1)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

BDBM79155

CCN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCCN(C)C)c1nc2cc3OCOc3cc2s1

BDBM79156

CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCC1)c1nc2ccc(Br)cc2s1

BDBM79157

CN(C)CCCNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1cccs1

BDBM79158

CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)c1ncc(Cl)c(Cl)c1Cl |c:11|

BDBM79159

Cc1ncc(C=O)c(CNNC(=O)c2cccc(c2)S(=O)(=O)N2CCCC2)c1O

BDBM79160

CC(NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1)c1ccc(cc1)-n1ccnc1

BDBM79161

COc1ccc(cc1)-c1cc(C(=O)NCCCN2CCCC2=O)c2ccccc2n1

BDBM79162

COc1ccc(cc1)C(CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(F)c2)c1)N1CCCC1

BDBM79163

CC1CN(CC(C)O1)S(=O)(=O)c1cccc(c1)C(=O)N(Cc1nnc(o1)-c1ccccc1Cl)C1CC1

BDBM79164

Nc1c(Cl)cc(cc1Cl)C(=O)c1n(CCC[NH3+])[n+]([O-])c2ccccc12

BDBM79165

NC(=O)CCCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccc(cc2[n+]1[O-])[N+]([O-])=O

BDBM79166

NC(=O)CCCn1c(C(=O)c2cc(Cl)c(N)c(Cl)c2)c2ccc(cc2[n+]1[O-])C(F)(F)F

BDBM79167

CCOc1ccc(cc1)C(=O)C(C)OC(=O)c1nc(Cl)ccc1Cl

BDBM79168

CCOC(=O)C1C(C)NC(=O)N=C1COC(=O)c1cc(OC)c(OC)c(OC)c1 |c:11|

BDBM83205

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O

BDBM20607

CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3

BDBM79169

COC(=O)[C@@]12CCCCN1[C@@H]([C@@H]1[C@H]2C(=O)N(C)C1=O)c1ccc(-c2cc(cs2)C(C)=O)c(OC)c1

BDBM50308020

Cc1cc2nc(NCCCO)n(CC(=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c2cc1C

BDBM71545

CCN(CC)CCOc1ccc(cc1)C(=C(/Cl)c1ccccc1)\c1ccccc1

BDBM79170

c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@@H]([C@H]3CCCCN3)O

BDBM79171

Nc1c(Cl)cc(cc1Cl)C(=O)c1n(CCC[NH3+])[n+]([O-])c2cc(ccc12)C(F)(F)F

BDBM79172

OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

BDBM79173

Clc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)Nc1sccc1C#N

BDBM79174

CSCCC(NC(=O)c1ccccc1Cl)C(=O)NNC(=O)c1csc(n1)N1CCOCC1

BDBM58941

CCCCCCCCCCCCCCCC[N+](C)(C)C

BDBM19441

Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1

BDBM79175

FC(F)(F)C1CCCN(C1)C(=O)c1cccc(c1)S(=O)(=O)N1CCCC1

BDBM64773

NC(Nc1ccc(Cl)cc1)=NC(N)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,10.11,23.23|

BDBM79176

CSCCC(NC(=O)c1ccccc1Br)C(=O)NNC(=O)c1csc(n1)N1CCOCC1

BDBM78433

OCCN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1

BDBM79177

CCC(C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)C(C)CC

BDBM79178

CC(C)C[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CO

BDBM79179

CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)CC(C)C)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1

BDBM22879

CC(C)(C)c1ccc(cc1)[C@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1

BDBM67714

CCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1

BDBM78434

CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)Cl

BDBM18957

CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I

BDBM79180

CCOC(=O)C1=C(COCCN)N=C(C)C(C1c1ccccc1Cl)C(=O)OC |c:5,t:12|

BDBM79181

CN1CCN(CC1)CCCN2c3ccccc3Sc4c2cc(cc4)C(F)(F)F

BDBM79182

CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1

BDBM76231

CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1

BDBM79183

CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCCCN)nn1)n1cc(CCCCCN)nn1

BDBM79184

[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6@@H](-[#6])-[#6]-[#6])-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#7])nn1

BDBM79185

NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1

BDBM79186

NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n2cc(CCCCCN)nn2)nn1

BDBM79187

C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(C)nn1

BDBM79188

[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1cc(-[#6]-[#6]-[#6]-[#6]-[#6]-[#7])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1

BDBM76233

CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1)n1cc(CCO)nn1

BDBM79189

NCCCCCc1cn(nn1)[C@H](CCC(O)=O)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1

BDBM79190

NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1

BDBM79191

CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCC(O)=O)n1cc(CCCCCN)nn1)n1cc(CCO)nn1

BDBM79192

CSCC[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CO)n1cc(CCCCCN)nn1)n1cc(CCO)nn1

BDBM76234

[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6@H](-[#6])-[#8])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1

BDBM76235

[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#16]-[#6])-n1cc(-[#6]-[#6]-[#8])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1

BDBM79193

CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCOCC1)n1cc(CCCCCN)nn1

BDBM79194

NCCCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCOCC1

BDBM79195

BDBM79196

[#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-n1cc(-[#6]-[#6@@H](-[#6])-[#8])nn1

BDBM76237

BDBM79197

NCCCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCCC(O)=O)nn1)n1cc(CCCC(O)=O)nn1

BDBM79198

NCCCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCCC(O)=O)nn1)n1cc(CCO)nn1

BDBM79199

BDBM66019

BDBM79200

NCCCC[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1)n1cc(CCO)nn1

BDBM79201

[#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-n1cc(-[#6]-[#6@@H](-[#6])-[#6]-[#6])nn1

BDBM79202

[#6]-[#6]-[#6@H](-[#6])-[#6]-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#7]-[#6](=O)-[#8]C([#6])([#6])[#6])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#8]C([#6])([#6])[#6]

BDBM79203

CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCNCC1

BDBM79204

CC(C)C[C@H]1CN=C(Nc2ccccc2)N1CC1CCC(CC1)C(C)(C)C |wU:4.3,t:6,(11.01,-6.78,;9.86,-5.75,;8.4,-6.23,;10.18,-4.25,;9.04,-3.22,;7.53,-3.54,;6.76,-2.2,;7.79,-1.06,;7.47,.45,;6.01,.92,;5.69,2.43,;4.22,2.91,;3.08,1.87,;3.4,.37,;4.86,-.11,;9.2,-1.69,;10.53,-.92,;10.53,.62,;9.2,1.39,;9.2,2.93,;10.53,3.7,;11.87,2.93,;11.87,1.39,;10.53,5.24,;10.53,6.78,;12.07,5.24,;8.99,5.24,)|

BDBM79205

CN(C)[C@H]1[C@@H]2[C@@H](O)C3C(C(=O)c4c(O)ccc(Cl)c4C3=C)C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O

BDBM79206

Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1

BDBM59083

CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1

BDBM79207

Cc1cc(ccc1OCCOCC[N+](C)(C)Cc1ccccc1)C(C)(C)CC(C)(C)C

BDBM79208

COc1cc2CC[C@H](N)c3cc(=O)c(O)ccc3-c2c(OC)c1OC

BDBM79209

OCCN1CCN(CC\C=C2\c3ccccc3Sc3ccc(Cl)cc23)CC1

BDBM79210

CN1[C@H]2CC[C@@H]1CC(C2)OC1c2ccccc2CCc2ccccc12

BDBM78436

CCSc1ccc2Sc3ccccc3N(CCCN3CCN(C)CC3)c2c1

BDBM79211

CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1

BDBM76238

Clc1ccc(cc1)C(c1ccc(Cl)cc1)n1cc[n+](CC(OCc2ccc(Cl)cc2Cl)c2ccc(Cl)cc2Cl)c1

BDBM79212

[H]C12CCN(CC1)[C@H](C(c1ccccc1)c1ccccc1)[C@@H]2NCc1ccccc1I |wD:21.25,7.8,TLB:8:7:2.3:6.5,THB:22:21:2.3:6.5,(14.16,2.4,;13.66,3.85,;9.83,2.16,;10.6,.83,;13.27,2.37,;16.09,1.2,;16.49,2.69,;11.76,5.16,;10.27,5.56,;9.87,7.05,;10.96,8.14,;10.56,9.62,;9.08,10.02,;7.99,8.93,;8.39,7.45,;8.88,4.91,;7.61,5.79,;6.22,5.14,;6.08,3.61,;7.35,2.72,;8.74,3.37,;13.09,5.93,;13.49,7.42,;14.98,7.82,;15.38,9.31,;14.29,10.39,;14.69,11.88,;16.18,12.28,;17.26,11.19,;16.87,9.7,;17.95,8.61,)|

BDBM50131436

OC(C1CCCC[NH2+]1)c1cc(nc2c(cccc12)C(F)(F)F)C(F)(F)F

BDBM79213

FC(F)(F)c1cc(CO[C@@H]2CCCN[C@@H]2c2ccccc2)cc(c1)C(F)(F)F

BDBM50005836

COC1CN(CCCOc2ccc(F)cc2)CCC1NC(=O)c1cc(Cl)c(N)cc1OC

BDBM50203812

CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1

BDBM79214

CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(ccc12)C(F)(F)F

BDBM50017672

CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1

BDBM79215

COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1

BDBM59086

CCCCC(CC)CN=C(N)NC(N)=NCCCCCCN=C(N)NC(N)=NCC(CC)CCCC |w:27.27,8.7,14.14,21.20|

BDBM79216

[H][C@@]12Oc3c4c(C[C@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(cc12)N=C(N)N)ccc3O

BDBM79217

C#CCOCCOCCOCCNc5nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n1cc(CCCCN)nn1)CC2)nc(N4CCN(C(=O)[C@H]([C@@H](C)CC)n3cc(CCC/N=C(N)\N)nn3)CC4)n5

BDBM79218

COc1ccc(C)cc1NC(=O)c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCCCC1

BDBM79219

CC(C)n1ncc2c(cc(nc12)C1CC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O

BDBM79220

COc1ccc(OCCCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1

BDBM79221

Cc1cccc(OCCCC(=O)NNC(=O)c2ccccn2)c1

BDBM79222

Cc1ccc(OCCCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)cc1

BDBM79223

CCN1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccco1

BDBM79224

CC(C)(C)c1cc(c(O)c(c1)C(C)(C)C)-c1nc(N)nc(N)n1

BDBM79225

FC(F)(F)c1cccc(c1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccncc1

BDBM79226

CCC1(C)NC(=O)N(CC(=O)N2CCC(Cc3ccccc3)CC2)C1=O

BDBM79227

COc1ccccc1OCCNC(=O)c1cccc(c1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1

BDBM79228

NC(=O)c1ccc(Cn2c(C(=O)c3cc(Cl)c(N)c(Cl)c3)c3ccccc3[n+]2[O-])cc1

BDBM79229

COc1ccc(cc1)C(CNC(=O)c1cc2CC(C)CCc2s1)N1CCCC1

BDBM79230

COc1ccccc1C(CNC(=O)CNC(=O)c1ccccc1Cl)N1CCCC1

BDBM79231

CCN(C1CCS(=O)(=O)C1)C(=O)CSc1nnc(-c2ccccc2)n1CC=C

BDBM79232

CC1CCc2[nH]c3ccc(cc3c2C1)C(=O)N(C)CC(=O)Nc1ccc(C)cc1

BDBM79233

Fc1ccc(cc1)C(=O)N1CCC(CC1)C(=O)Nc1sccc1C#N

BDBM79234

CCOc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)NCCCN2CCOCC2)cc1

BDBM79235

COc1ccc(cc1)C(CNC(=O)COc1c(C)cc(C)cc1C)N1CCOCC1

BDBM79236

COc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1S(=O)(=O)N1CCOCC1

BDBM79237

CSCCC(NC(=O)COc1ccccc1)C(=O)N1CCC(CC1)C(N)=O

BDBM79238

CCC1(NC(=O)N(CC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)C1=O)c1ccccc1

BDBM79239

CC(NC(=O)C1CCN(CC1)C(=O)c1ccccc1C)c1ccc(cc1)S(N)(=O)=O

BDBM79240

Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1

BDBM79241

O=C(Nc1cccc(c1)C1=NCCN1)Nc1cccc(c1)C1=NCCN1 |t:10,24|

BDBM79242

CCc1ccc(OCCNc2cc(ccc2[N+]([O-])=O)N2CCNC(C)C2)cc1

BDBM79243

NCCCCc1ccc2ccc3cccc4ccc1c2c34

BDBM79244

COC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)N1CCC1

BDBM79245

COc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)NNCc1c(O)c(C)ncc1C=O

BDBM79246

Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccccn2)c1

BDBM79247

COc1ccccc1NC(=O)COc1ccc(cc1OC)C(=O)NCc1ccccc1

BDBM79248

COc1ccccc1NC(=O)COC(=O)c1cc(C)nc2ccccc12

BDBM79249

CN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1

BDBM79250

CC(=O)c1ccc(OCCCC(=O)NNC(=O)c2ccccn2)cc1

BDBM50086503

N#CSc1ccc2oc(cc2c1)C1=NCCN1 |t:14|

BDBM22872

CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(Cl)cc12

BDBM79252

CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1

BDBM79253

NCCCC[C@@H](C(=O)N1CCNCC1)n1cc(CN)nn1

BDBM79254

BDBM79255

[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1

BDBM79256

CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(CCCCCN)nn1

BDBM79257

C[C@@H](O)Cc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n2cc(CCCCCN)nn2)nn1

BDBM79258

CC[C@@H](C)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(C[C@@H](C)O)nn1)n1cc(CCCCCN)nn1

BDBM79259

C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C)nn1)n1cc(C)nn1

BDBM79260

C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCCC(O)=O)nn1)n1cc(C)nn1

BDBM79261

CC[C@H](C)[C@@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCCC(O)=O)nn1)n1cc(CCCCCN)nn1

BDBM66022

CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1

BDBM79262

CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)Cn1cc(CCCCCN)nn1

BDBM79263

NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

BDBM79264

COc1ccc2nc(C)cc(N=NCc3ccccc3)c2c1 |w:11.10|

BDBM79265

CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@@H](CCC(O)=O)n1cc(CCCCCN)nn1

BDBM76245

C[C@@H](O)Cc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(CC2)c2nc(NCCOCCOCCOCC#C)nc(n2)N2CCN(CC2)C(=O)CCCCCCCCCCNC(=O)Cn2cc(CCCCCN)nn2)nn1

BDBM79266

C[C@H](O)[C@H](C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1)n1cc(C)nn1

BDBM75699

[#6]-[#6]-[#6@H](-[#6])-[#6@@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-n1cc(-[#6]-[#6]-[#6]-[#16]-[#6])nn1)-n1cc(-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])nn1

BDBM79267

NS(=O)(=O)c1ccc(CCNC(=O)c2cc(nc3ccccc23)-c2ccco2)cc1

BDBM79268

CCN(CC)CCNC(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccncc2)cc1

BDBM79269

COc1ccc(NS(=O)(=O)c2cc(ccc2C)C(=O)N2CCC2)cc1

BDBM79270

BDBM79271

CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(c1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1

BDBM79272

COc1ccc(CN(C)C(=O)Cc2ccc(OC)c(c2)S(=O)(=O)N2CCOCC2)cc1OC

BDBM79273

[O-][N+](=O)c1cccc(NC(=O)COC(=O)c2c[nH]c(=O)[nH]c2=O)c1

BDBM79274

CCN1CCN(CC1)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)N(C)Cc1cccs1

BDBM79275

COc1ccc(cc1)C(CNC(=O)c1ccc(o1)-c1nc2ccccc2s1)N1CCCC1

BDBM79276

NC(=O)NC(CC(=O)NNC(=O)c1ccccn1)c1ccc(Cl)cc1

BDBM79277

COc1cccc(NC(=O)CN(C)C(=O)c2cccnc2Nc2cccc(c2)C(F)(F)F)c1

BDBM79278

COc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)c2)cc1

BDBM79279

NC(=O)NC(CC(=O)NNC(=O)c1ccccn1)c1ccccc1Cl

BDBM79280

CC1CC2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)C2=O

BDBM79281

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccc(Br)cc1 |c:4,31|

BDBM79282

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCC(C)C)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,21|

BDBM79283

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2cccnc2)=N[C@H]1c1ccc(Br)cc1 |c:4,26|

BDBM79284

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2c[nH]c3ccccc23)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,30|

BDBM79285

CCN1C(C)=C([C@@H](N=C1N(C)CCc1c[nH]c2ccccc12)c1cccc(c1)C(F)(F)F)C(=O)OC |c:4,7|

BDBM79286

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(c2)C(F)(F)F)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,29|

BDBM79287

Brc1ccc(cc1)C(=O)Cn1c2ccccc2n(Cc2ccccc2)c1=N

BDBM79288

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1CCc1ccccc1 |c:4,31|

BDBM79289

COC(=O)C1=C(C)N(Cc2ccccc2)C(N[C@H]1c1cccc(F)c1)=NCCc1c[nH]c2ccccc12 |w:25.28,c:4|

BDBM79290

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,25|

BDBM79291

C(CC1CCCCC1)CN1[C@@H](Cc2ccccc2)CN=C1Nc1ccccc1 |c:21|

BDBM79292

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(Cl)c2)=N[C@H]1c1ccccc1 |c:4,26|

BDBM79293

COC(=O)C1=C(C)N(CC2CC2)C(NCc2cccc(c2)C(F)(F)F)=N[C@H]1c1ccccc1 |c:4,26|

BDBM79294

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2ccccn2)=N[C@H]1c1cccc(c1)C(F)(F)F |c:4,26|

BDBM79295

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cccc(Cl)c2)=N[C@H]1c1cccc(F)c1 |c:4,26|

BDBM79296

CC(C)(C)C1CCC(CN2[C@@H](Cc3ccccc3)CN=C2Nc2ccccc2)CC1 |wU:10.10,c:20,(10.53,7.78,;10.53,6.24,;12.07,6.24,;8.99,6.24,;10.53,4.7,;9.2,3.93,;9.2,2.39,;10.53,1.62,;10.53,.08,;9.2,-.69,;9.04,-2.23,;10.18,-3.26,;9.86,-4.76,;8.4,-5.24,;8.08,-6.75,;9.22,-7.78,;10.69,-7.3,;11.01,-5.79,;7.53,-2.55,;6.76,-1.21,;7.79,-.07,;7.47,1.44,;6.01,1.91,;5.69,3.42,;4.22,3.9,;3.08,2.87,;3.4,1.36,;4.86,.88,;11.87,2.39,;11.87,3.93,)|

BDBM79297

CN(c1ccc(NC(=O)C=C)cc1)c1ccnc(Nc2ccc(cc2)N2CCN(C)CC2)n1

BDBM67694

CN(C)C\C=C\C(=O)Nc1cccc(c1)-c1c[nH]c2ncnc(Oc3ccc(NC(=O)CC(=O)Nc4ccc(F)cc4)cc3F)c12

BDBM67695

CCN1c2cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc2N(C2CCCC2)C(CC1=O)c1ccccc1

BDBM79298

CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

BDBM79299

CC(C)(C)OC(=O)[C@H](CCCC[NH3+])NC(=O)c1nc[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

BDBM79300

CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](CCCC[NH3+])C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

BDBM79301

CSCCCc1cn(nn1)[C@@H](CO)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(CCO)nn1

BDBM79302

[#6]-[#6@H]-1-[#6]-[#6@@H](\[#6]=[#6](\[#6])-[#6])-c2c(-[#6])c(-[#8])c(-[#8]-[#6@@H]-3-[#8]-[#6@@H](-[#6])-[#6@@H](-[#8]-[#6](-[#6])=O)-[#6@@H](-[#8])-[#6@@H]-3-[#8])c3-[#6@@H](-[#6])-[#6]-[#6]-[#6@H]-1-c23

BDBM79303

CN1CCN(CC1)C1CCN(Cc2ccc(O)c3ncccc23)CC1

BDBM30040

COc1ccc(cc1OC1CCCC1)C1=Nn2c(SC1)nnc2-c1ccccc1F |t:16|

BDBM79304

Cc1ccsc1CNc1ncnc2ccc(cc12)-c1c(C)noc1C

BDBM79305

CCC(=O)NC(c1cccs1)c1cc(Cl)c2ccccc2c1O

BDBM79306

CCC(=O)NC(C)c1cc(Cl)c2ccccc2c1O

BDBM79307

CCC(=O)NC(C(C)C)c1cc(Cl)c2ccccc2c1O

BDBM79308

CCC(=O)NC(C1CC1)c1cc(Cl)c2ccccc2c1O

BDBM79309

CC(NC(C)=O)c1cc(Cl)c2ccccc2c1O

BDBM79310

CC(C)C(NC(C)=O)c1cc(Cl)c2ccccc2c1O

BDBM79311

CC(=O)NC(c1ccco1)c1cc(Cl)c2ccccc2c1O

BDBM79312

CC(=O)NC(c1cccs1)c1cc(Cl)c2ccccc2c1O

BDBM79313

COc1ccccc1-c1oc2ccccc2c1C#CC1(N)CCCCC1

BDBM78443

COc1ccc(cc1)-c1sc2cc3OCOc3cc2c1C#CC1(N)CCCCC1

BDBM79314

CN1CCN(CC1)c1cc(ccn1)-c1cc(O)c2ncccc2c1

BDBM47022

Oc1ccc(-c2csc(Nc3ccc(C#N)c(c3)C(F)(F)F)n2)c(O)c1

BDBM79315

COc1cc(OC)cc(c1)C#Cc1c(-c2cncn2C)n(C)c2ccc(Br)cc12 |(8.87,6.78,;8.4,5.32,;9.42,4.17,;10.93,4.49,;11.96,3.34,;13.47,3.66,;13.94,5.12,;11.48,1.88,;9.97,1.56,;8.95,2.71,;9.5,.1,;9.02,-1.37,;8.54,-2.83,;9.44,-4.07,;10.98,-4.07,;11.88,-2.82,;13.35,-3.3,;13.35,-4.84,;11.88,-5.32,;11.41,-6.78,;8.54,-5.31,;9.02,-6.77,;7.08,-4.84,;5.75,-5.61,;4.41,-4.84,;4.41,-3.3,;3.08,-2.53,;5.75,-2.53,;7.08,-3.3,)|

BDBM79316

COc1ccc(cc1)-c1c(oc(=O)c2cc(OC)c(OC)cc12)-c1ccc(cc1)C#N

BDBM79317

C(CCN1CCNC[C@H]1Cc1cccc2ccccc12)CC1CCCCC1

BDBM79318

C(Cc1cccc2ccccc12)N1CCNC[C@H]1Cc1cccc2ccccc12

BDBM79319

FC(F)(F)c1cc(CCN2CCNC[C@@H]2c2ccccc2)cc(c1)C(F)(F)F

BDBM79320

FC(F)(F)c1cc(CCN2CCNC[C@@H]2CC2CCCCC2)cc(c1)C(F)(F)F

BDBM79321

NC[C@H](Cc1ccccc1)NCCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

BDBM79322

C[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:21|

BDBM79323

C[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |c:21|

BDBM79324

CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2[C@@H](Cc3ccccc3)CN=C2N)C(=N)N1CCCC1CCCC1 |c:28|

BDBM79325

CC(C)[C@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:23|

BDBM79326

CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2[C@@H](Cc3ccccc3)CN=C2N)C(C)C)C(=N)N1CCCC1CCCC1 |c:27|

BDBM79327

CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:23|

BDBM79328

CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |c:23|

BDBM79329

CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:23|

BDBM77606

CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](Cc2ccccc2)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N |c:23|

BDBM79330

CC(C)C[C@@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |t:6|

BDBM79331

CC(C)C[C@@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |t:6|

BDBM79332

CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2[C@H](CC(C)C)CN=C2N)C(=N)N1CCc1ccc(Cl)c(Cl)c1 |c:24|

BDBM79333

Oc1cc(cc2cccnc12)-c1ccc(cc1)C(=O)N1CCNCC1

BDBM79334

CN(C)CCCNC(=O)c1ccc(cc1)-c1cc(O)c2ncccc2c1

BDBM79335

Oc1cc(Nc2ccncc2)cc2cccnc12

BDBM79336

C[C@@H]1CCCCCCCCC(=O)OCCN[C@H](C)CCCCCCCCC(=O)OCCN[C@H](C)CCCCCCCCC(=O)OCCN1

BDBM79337

[H][C@@]12Cc3ccc(Oc4cc(C[C@]5([H])N(C)CCc6ccc7Oc8c(OC)cc(CCN1C)c2c8Oc7c56)ccc4OC)cc3

BDBM79338

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1 |t:4,TLB:2:4:11:8.9|

BDBM79339

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1OCc1ccccc1 |t:4,TLB:2:4:11:8.9|

BDBM79340

[H]C12CC3([H])CC([H])(C1)CC(CCN1CCNC[C@H]1Cc1cccc4ccccc14)(C2)C3 |TLB:8:1:31:6.9.5,8:6:31:1.30.2,THB:2:1:9:3.31.5|

BDBM79341

CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2[C@@H](Cc3ccccc3)CN=C2N)C(=N)N1CCc1ccc(Cl)c(Cl)c1 |c:28|

BDBM79342

COC(=O)c1c(sc2ccc(OC)cc12)-c1ccc(SC)cc1

BDBM79343

COc1ccc(cc1)-c1oc(=O)c2cc(OC)c(OC)cc2c1C#CC1(O)CCCCC1

BDBM79344

[H]C12CC3([H])CC(Br)(C1)CC(C2)(C3)C(=O)OCC(=O)Nc1ccccc1OC |TLB:7:6:12:1.11.2,8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|

BDBM79345

[H]C12CC3([H])CC([H])(C1)CC(CC(=O)NCC(=O)Nc1ccccc1OC)(C2)C3 |TLB:8:1:28:6.9.5,8:6:28:1.27.2,THB:5:6:27:3.28.2|

BDBM79346

CC(Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccccn1

BDBM79347

CC1CC(OC2OC(C)C(OC3OC(COC(C)=O)C(O)C(O)C3O)C(O)C2O)[C@]2(C)C(CCC=C2C)[C@@]1(C)CC[C@](C)(OC1OC(C)C(O[C@@H]2O[C@@H](C)C(O)C(O)[C@H]2O)C(O)C1O)C=C |c:36|

BDBM79348

NCCCC[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1)n1cc(CN)nn1

BDBM79349

[#6]-[#6]-[#6@@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(-[#6]-[#7])nn1

BDBM79350

NCCCC[C@H](N)c1cn(nn1)[C@@H](CCC(O)=O)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1

BDBM79351

C[C@@H](O)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1)n1cc(nn1)[C@@H](N)CCCCN

BDBM79352

CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(CN)nn1

BDBM79353

NCCCC[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCOCC1)n1cc(CN)nn1

BDBM79354

[#6]-[#6]-[#6@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-n1cc(nn1)-[#6](-[#7])-[#6@H](-[#6])-[#6]-[#6]

BDBM79355

[#6]-[#6]-[#6@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6](-[#6@@H](-[#6])-[#8])-n1cc(nn1)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7]

BDBM79356

[#6]-[#6]-[#6@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-n1cc(nn1)-[#6@@H](-[#7])-[#6]-[#6](-[#7])=O

BDBM79357

[#6]-[#6]-[#6@H](-[#6])-[#6](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-n1cc(nn1)-[#6@@H](-[#7])-[#6]-[#6](-[#7])=O

BDBM79358

[#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7])-c1cn(nn1)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nc(-[#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]C#C)nc(n1)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-n1cc(nn1)-[#6](-[#7])-[#6@@H](-[#6])-[#6]-[#6]

BDBM79359

CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)[C@@H](N)CCCCN

BDBM79360

C[C@@H](O)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C([C@@H](C)O)n1cc(nn1)[C@@H](N)CCCCN)n1cc(nn1)[C@@H](N)CCCCN

BDBM79361

C[C@@H](O)C(C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(N)=O)n1cc(nn1)[C@@H](N)CCCCN

BDBM79362

CC(C)[C@H](N)c1cn(nn1)[C@@H](CO)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)C([C@@H](C)O)n1cc(nn1)[C@@H](N)CCCCN

BDBM79363

NCCCC[C@@H](C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(N)=O)n1cc(nn1)[C@@H](N)CC(N)=O

BDBM79364

CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCCCN)n1cc(nn1)[C@@H](N)CC(N)=O

BDBM79365

CC[C@@H](C)[C@H](N)c1cn(nn1)[C@@H](CCCCN)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CO)n1cc(nn1)[C@@H](N)C(C)C

BDBM79366

COc1ccc(cc1)-c1sc2ccccc2c1C#Cc1cncn1C

BDBM79367

COc1ccc2sc(c(C#Cc3cncn3C)c2c1)-c1ccccc1OC

BDBM79368

COc1ccc2sc(c(C#CC3(N)CCCCC3)c2c1)-c1cc(OC)cc(OC)c1

BDBM79369

COc1ccccc1-c1sc2cc3OCOc3cc2c1C#Cc1cncn1C

BDBM79370

Cn1cncc1C#Cc1c(sc2ccccc12)-c1ccc(cc1)S(C)(=O)=O

BDBM67058

COc1cc2sc(c(C(=O)NCCCCO)c2cc1OC)-c1ccc(cc1)S(C)(=O)=O

BDBM79371

CS(=O)(=O)c1ccc(cc1)-c1sc2cc3OCOc3cc2c1C(=O)NCCCN1CCOCC1

BDBM77957

COC(=O)c1c(sc2ccc(OC)cc12)-c1ccc(cc1)S(C)(=O)=O

BDBM79372

COc1ccccc1-c1sc2cc3OCOc3cc2c1-c1ccc(OCCN2CCCCC2)cc1

BDBM75438

COc1cccc(c1)-c1sc2ccc(OC)cc2c1-c1ccc(OCCN(C)C)cc1

BDBM79373

COc1ccccc1-c1sc2cc(OC)c(OC)cc2c1-c1ccc(OCCN2CCCCC2)cc1

BDBM76254

C(CN1CCCCC1)Oc1ccc(cc1)-c1c(sc2ccccc12)-c1ccsc1

BDBM79374

CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccsc1

BDBM79375

COc1ccc2sc(c(-c3ccc(OCCN4CCCC4)cc3)c2c1)-c1ccccc1OC

BDBM75439

CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1

BDBM75440

COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCCC2)cc1

BDBM75441

COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1

BDBM75442

COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1

BDBM79376

COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN2CCOCC2)cc1

BDBM75443

COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1

BDBM79377

Cc1c(CCOC(=O)c2ccc(Cl)cc2Cl)sc[n+]1CC(=O)c1ccc(Br)cc1

BDBM79378

CC1CCCC(NC(=O)CSc2ncnc3ccccc23)C1C

BDBM79379

COc1ccccc1NS(=O)(=O)c1cccc(c1)C(=O)NNC(=O)c1ccc(Cl)nc1

BDBM79380

CCCCOc1ccc(cc1OC)C(=O)NNC(=O)c1cnccn1

BDBM79381

Clc1cccc(NC(=O)COC(=O)c2cc(=O)[nH]c(=O)[nH]2)c1

BDBM79382

[O-][N+](=O)c1ccc(Cl)c(c1)S(=O)(=O)N1CCC(CC1)C(=O)NCCCn1ccnc1

BDBM79383

Cc1ccc(OCCCC(=O)NNC(=O)c2ccccn2)cc1

BDBM79384

O=C(COc1ccc(cc1)C#N)NNC(=S)NC(=O)C1CC1

BDBM79385

CCc1nc2ccccc2c(C(=O)OCc2nc3ccccc3c(=O)[nH]2)c1C

BDBM79386

CCOc1ccccc1NC(=O)COc1cccnc1[N+]([O-])=O

BDBM79387

CC(C)C[C@@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@@H](C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |t:6|

BDBM79388

CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2[C@H](CC(C)C)CN=C2N)C(C)C)C(=N)N1CCc1ccc(Cl)c(Cl)c1 |c:23|

BDBM79389

CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2[C@H](CC(C)C)CN=C2N)C(C)C)C(=N)N1CCCC1CCCC1 |c:23|

BDBM67396

CCC[C@@H](CN1CCC[C@H]1CN1[C@H](CC(C)C)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:19|

BDBM79390

CCCCN1[C@H](Cc2ccccc2)CN([C@@H](CCC)CN2CCC[C@H]2CN2[C@H](CC(C)C)CN=C2N)C1=N |c:35|

BDBM79391

CCC[C@@H](CN1CCC[C@H]1CN1[C@H](CC(C)C)CN=C1N)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |c:19|

BDBM79392

CCC[C@@H](CN1CCC[C@H]1CN1[C@H](CC(C)C)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCc2ccc(Cl)c(Cl)c2)C1=N |c:19|

BDBM79393

CCC[C@@H](CN1CCC[C@H]1CN1[C@H](CC(C)C)CN=C1N)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N |c:19|

BDBM79394

CC(C)[C@@H]1CN=C(N)N1C[C@@H]1CCCN1C[C@H](C)N1C[C@@H](Cc2ccccc2)N(CCc2ccc(Cl)c(Cl)c2)C1=N |t:5|

BDBM79395

CC[C@@H](C)[C@@H]1CN([C@@H](C)CN2CCC[C@H]2CN2[C@@H](CN=C2N)C(C)C)C(=N)N1CCc1ccc(Cl)c(Cl)c1 |c:20|

BDBM79396

CC(C)[C@H](CN1CCC[C@H]1CN1[C@@H](CN=C1N)C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |c:15|

BDBM79397

CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2[C@@H](CN=C2N)C(C)C)C(C)C)C(=N)N1CCc1ccc(Cl)c(Cl)c1 |c:19|

BDBM79398

CC[C@@H](C)[C@@H]1CN([C@@H](CN2CCC[C@H]2CN2[C@@H](CN=C2N)C(C)C)C(C)C)C(=N)N1CCCC1CCCC1 |c:19|

BDBM79399

CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](CN=C1N)C(C)C)N1C[C@@H](Cc2ccccc2)N(CCCC2CCCC2)C1=N |c:15|

BDBM79400

CCC[C@@H](CN1CCC[C@H]1CN1[C@@H](CN=C1N)C(C)C)N1C[C@@H]([C@H](C)CC)N(CCCC2CCCC2)C1=N |c:15|

BDBM79401

NC1=NC[C@@H](CC2CCCCC2)N1CCc1cc(cc(c1)C(F)(F)F)C(F)(F)F |t:1|

BDBM79402

Cc1ccc2N(C3CC[N+](C)(CC(=O)c4ccc(Cl)cc4Cl)CC3c2c1)C(=O)c1ccc(F)cc1

BDBM79403

C(CCNCCCN)CNCCCN

BDBM79404

C[C@]12CCC3C(CC[C@H]4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2OC(=O)[C@H](N)CCCCN

BDBM79405

CC(C)[C@H](N)c1cn(nn1)[C@@H](CO)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](CCC(O)=O)n1cc(nn1)[C@@H](N)CCCCN

BDBM50365463

CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|