SMILES for Histone acetyltransferase KAT2B

Cn1ncc(NC2CN3CCC2CC3)c(Cl)c1=O |(4.67,-.77,;3.33,,;3.33,1.54,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-3.33,-.77,;-3.97,.19,;-3.97,1.35,;-3.33,2.31,;-4.67,1.54,;-4.67,,;.67,,;-.67,-.77,;2,-.77,;2,-2.31,)|

BDBM371531

CN1NC=C(NC2CCCOC2)C(Cl)=C1 |c:14,t:3|

BDBM371533

CN1CCCCC(C1)Nc1cnn(C)c(=O)c1Br

BDBM371534

CC(C)n1ncc(NC2CCCCN(C)C2)c(Cl)c1=O

BDBM371535

CCn1ncc(NC2CCCCN(C)C2)c(Cl)c1=O

BDBM371536

CN1CCCCC(C1)Nc1cnn(CC2CC2)c(=O)c1Cl

BDBM371537

C\C=C\CN1NC=C(NC2CCCCN(C)C2)C(Cl)=C1 |c:19,t:6|

BDBM50234932

CC(C)C[C@H]1C[C@H](CN(C)C1)Nc1cnn(C)c(=O)c1Cl |r|

BDBM371539

CC(C)C[C@@H]1C[C@@H](CN(C)C1)Nc1cnn(C)c(=O)c1Cl |r|

BDBM371541

CC1CC(CN(C)C1)Nc1cnn(C)c(=O)c1Cl

BDBM371542

C[C@H]1C[C@H](CN(C)C1)Nc1cnn(C)c(=O)c1Cl

BDBM371543

C[C@@H]1C[C@@H](CN(C)C1)Nc1cnn(C)c(=O)c1Cl

BDBM371544

CN1CC(CC(C1)c1ccccc1)Nc1cnn(C)c(=O)c1Cl

BDBM371545

CC1CCC(CN1C)Nc1cnn(C)c(=O)c1Cl

BDBM371546

C[C@@H]1CC[C@H](CN1C)Nc1cnn(C)c(=O)c1Cl |r|

BDBM371547

C[C@@H]1CC[C@@H](CN1C)Nc1cnn(C)c(=O)c1Cl |r|

BDBM371548

C[C@H]1CC[C@@H](CN1C)Nc1cnn(C)c(=O)c1Cl |r|

BDBM371549

C[C@H]1CC[C@H](CN1C)Nc1cnn(C)c(=O)c1Cl |r|

BDBM371550

COCCN1CCCC(C1)Nc1cnn(C)c(=O)c1Cl

BDBM371551

Cn1ncc(NC2CCCN(C2)C2COC2)c(Cl)c1=O

BDBM371552

CC(C)N1CCCC(C1)Nc1cnn(C)c(=O)c1Cl

BDBM371553

Cn1ncc(NC2CCCN(Cc3ccccn3)C2)c(Cl)c1=O

BDBM371554

Cn1ncc(NC2CCCN(Cc3ccccc3)C2)c(Cl)c1=O

BDBM371555

C[C@@H](N1CCCC(C1)Nc1cnn(C)c(=O)c1Cl)c1ccccc1 |r|

BDBM371556

C[C@H](N1CCCC(C1)Nc1cnn(C)c(=O)c1Cl)c1ccccc1 |r|

BDBM371557

Cn1ncc(N[C@@H]2CCCCN(Cc3ccccc3)C2)c(Cl)c1=O |r|

BDBM371558

Cn1ncc(N[C@H]2CCCCN(Cc3ccccc3)C2)c(Cl)c1=O |r|

BDBM371559

Cn1ncc(Cl)c(N[C@@H]2Cc3ccccc3CNC2=O)c1=O |r|

BDBM371560

CN1CCCCCC(C1)Nc1cnn(C)c(=O)c1Cl

BDBM371561

Cn1ncc(NC2CCCN(CCCc3ccccc3)C2)c(Cl)c1=O

BDBM371562

Cn1ncc(NC2CCCN(Cc3c(F)cccc3F)C2)c(Cl)c1=O

BDBM371563

CN(C)c1ccc(CN2CCCC(C2)Nc2cnn(C)c(=O)c2Cl)cc1

BDBM371564

Cn1ncc(NC2CCCN(Cc3cccc(OC(F)F)c3)C2)c(Cl)c1=O

BDBM371565

Cn1ncc(NC2CCCN(Cc3ccc(cc3)-n3ccnc3)C2)c(Cl)c1=O

BDBM371566

Cn1ncc(NC2CCCN(Cc3cc(Cl)cc(Cl)c3)C2)c(Cl)c1=O

BDBM371567

Cn1ncc(NC2CCCN(Cc3ccccc3N3CCOCC3)C2)c(Cl)c1=O

BDBM371568

Cn1ncc(NC2CCCN(Cc3ncc[nH]3)C2)c(Cl)c1=O

BDBM371569

Cn1ncc(NC2CCCN(Cc3c[nH]cn3)C2)c(Cl)c1=O

BDBM371570

Cn1ncc(NC2CCCN(Cc3cncnc3)C2)c(Cl)c1=O

BDBM371571

Cn1cc(CN2CCCC(C2)Nc2cnn(C)c(=O)c2Cl)cn1

BDBM371572

Cn1ccnc1CN1CCCC(C1)Nc1cnn(C)c(=O)c1Cl

BDBM371573

Cc1cncc(CN2CCCC(C2)Nc2cnn(C)c(=O)c2Cl)c1

BDBM371574

Cc1nc(CN2CCCC(C2)Nc2cnn(C)c(=O)c2Cl)[nH]c1C

BDBM371575

Cn1ncc(NC2CCCN(Cc3nc(no3)-c3ccc(Cl)cc3)C2)c(Cl)c1=O

BDBM371576

Cn1ncc(NC2CCCN(Cc3ccc(F)cc3)C2)c(Cl)c1=O

BDBM371577

CN1CCCC[C@@H](C1)Nc1cnn(C)c(=O)c1Cl

BDBM371578

CN1CCCC[C@H](C1)Nc1cnn(C)c(=O)c1Cl

BDBM50234945

CN1CCC[C@@H](C1)Nc1cnn(C)c(=O)c1Cl |r|

BDBM50234944

CN1CCC[C@H](C1)NC2=C(C(=O)N(N=C2)C)Cl

BDBM748346

CC(C)(C(=O)O)c1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@@]3(F)CNC4(CCC4)C3)C2)c(-c2cccc(F)c2C2CCC2)c1

BDBM748351

CC(C)(C(=O)O)c1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@]3(F)CNC4(CCCC4)C3)C2)c(-c2cccc(F)c2C2CCC2)c1

BDBM748361

CC1(C)CNC[C@](F)(C(=O)N[C@@H]2CC[C@@H](Oc3ccc(C(C)(C)C(=O)O)cc3-c3cccc(F)c3C3CCC3)C2)C1

BDBM748368

CC1(C)CNC[C@](F)(C(=O)N[C@@H]2CC[C@@H](Oc3ccc(CC(=O)O)cc3-c3cccc(F)c3C3CCC3)C2)C1

BDBM748387

CCS(=O)(=O)CC(=O)C(C)(C)c1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@]3(F)CNC4(CCC4)C3)C2)c(-c2cccc(F)c2C2CCC2)c1

BDBM748389

CC(C)S(=O)(=O)NC(=O)C(C)(C)c1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@]3(F)CNC4(CCC4)C3)C2)c(-c2cccc(F)c2C2CCC2)c1

BDBM748398

CCS(=O)(=O)NC(=O)C(C)(C)c1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@@]3(F)CNC(C)(C)C3)C2)c(-c2cccc(F)c2C2CCC2)c1

BDBM748405

CCS(=O)(=O)NC(=O)C(C)(C)c1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@@]3(F)CNC4(CCCC4)C3)C2)c(-c2cccc(F)c2C2CCC2)c1

BDBM748413

CC1(C)CNC[C@](F)(C(=O)N[C@@H]2CC[C@@H](Oc3ccc(C(C)(C)C(=O)NS(=O)(=O)C4CC4)cc3-c3cccc(F)c3C3CCC3)C2)C1

BDBM748423

CC(C)(C(=O)NS(=O)(=O)N1CCC1)c1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@@]3(F)CNC4(CCC4)C3)C2)c(-c2cccc(F)c2C2CCC2)c1

BDBM748424

CC(C)(C(=O)NS(C)(=O)=O)c1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@@]3(F)CNC4(CCCC4)C3)C2)c(-c2cccc(F)c2C2CCC2)c1

BDBM748425

CC1(C)C[C@@](F)(C(=O)N[C@@H]2CC[C@@H](Oc3ccc(C(C)(C)C(=O)NS(C)(=O)=O)cc3-c3cccc(F)c3C3CCC3)C2)CN1

BDBM748426

CC1(C)C[C@](F)(C(=O)N[C@@H]2CC[C@@H](Oc3ccc(C(C)(C)C(=O)NS(C)(=O)=O)cc3-c3cccc(F)c3C3CCC3)C2)CN1

BDBM748427

CC1(C)C[C@@](F)(C(=O)N[C@@H]2CC[C@@H](Oc3ccc(C(C)(C)C(=O)NS(=O)(=O)N4CCC4)cc3-c3cccc(F)c3C3CCC3)C2)CN1

BDBM748429

CN(C)S(=O)(=O)NC(=O)C(C)(C)c1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@@]3(F)CNC(C)(C)C3)C2)c(-c2cccc(F)c2C2CCC2)c1

BDBM748431

CCc1c(F)cccc1-c1cc(C(C)(C)C(=O)NS(C)(=O)=O)ccc1O[C@@H]1CC[C@@H](NC(=O)[C@]2(F)CNC3(CCC3)C2)C1

BDBM748433

CC(C)(C(=O)NS(C)(=O)=O)c1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@]3(F)CNC4(CCC4)C3)C2)c(-c2cccc(F)c2C2CC2)c1

BDBM748435

CC(C)(C(=O)NS(C)(=O)=O)c1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@@]3(F)CNC4(CCCC4)C3)C2)c(-c2cccc(F)c2C2CCC2)c1

BDBM748437

CCc1c(F)cccc1-c1cc(C(C)(C)C(=O)NS(=O)(=O)C(C)C)ccc1O[C@@H]1CC[C@@H](NC(=O)[C@@]2(F)CNC3(CCC3)C2)C1

BDBM748438

CC(C)c1c(F)cccc1-c1cc(C(C)(C)C(=O)NS(C)(=O)=O)ccc1O[C@@H]1CC[C@@H](NC(=O)[C@@]2(F)CNC3(CCC3)C2)C1

BDBM748440

CC(C)(C(=O)NS(=O)(=O)C1(C)CC1)c1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@@]3(F)CNC4(CCC4)C3)C2)c(-c2cccc(F)c2C2CC2)c1

BDBM748443

CCc1c(F)cccc1-c1cc(C(C)(C)C(=O)NS(=O)(=O)CC)ccc1O[C@@H]1CC[C@@H](NC(=O)[C@@]2(F)CNC3(CCCC3)C2)C1

BDBM748444

CCc1c(F)cccc1-c1cc(C(C)(C)C(=O)NS(=O)(=O)CC)ccc1O[C@@H]1CC[C@@H](NC(=O)[C@@]2(F)CNC3(CCCC3)C2)C1

BDBM748446

CCc1c(F)cccc1-c1cc(C(C)(C)C(=O)NS(C)(=O)=O)ccc1O[C@@H]1CC[C@@H](NC(=O)[C@@]2(F)CNC3(CCCC3)C2)C1

BDBM748448

CCc1c(F)cccc1-c1cc(C(C)(C)C(=O)NS(=O)(=O)C(C)C)ccc1O[C@@H]1CC[C@@H](NC(=O)[C@@]2(F)CNC3(CCCC3)C2)C1

BDBM748458

CC(C)S(=O)(=O)NC(=O)Cc1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@]3(F)CNC4(CCC4)C3)C2)c(-c2cccc(F)c2C2CCC2)c1

BDBM748511

CN1CC(C)(C)C[C@H]1C(=O)N[C@@H]1CC[C@@H](Oc2ccc(C(C)(C)C(=O)O)cc2-c2cccc(F)c2C2CCC2)C1

BDBM748513

CC(C)c1ccccc1-c1cc(C(=O)O)ccc1O[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC(C)(C)CN2C)C1

BDBM748515

CC(C)c1c(F)cccc1-c1cc(C(=O)O)ccc1O[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC(C)(C)CN2C)C1

BDBM748518

CN1CC(C)(C)C[C@H]1C(=O)N[C@@H]1CC[C@@H](Oc2ccc(CC(=O)O)cc2-c2cccc(F)c2C2CCC2)C1

BDBM748525

CN1CC(C)(C)C[C@H]1C(=O)N[C@@H]5CC[C@@H](Oc2ccc(C(C)(C)C(=O)NS(C)(=O)=O)cc2c3cccc(F)c3C4CCC4)C5

BDBM748527

CN1CC(C)(C)C[C@H]1C(=O)N[C@@H]1CC[C@@H](Oc2ccc(CC(=O)NS(=O)(=O)N(C)C)cc2-c2cccc(F)c2C2CCC2)C1

BDBM748528

CN1CC(C)(C)C[C@H]1C(=O)N[C@@H]1CC[C@@H](Oc2ccc(C(C)(C)C(=O)NS(=O)(=O)N(C)C)cc2-c2cccc(F)c2C2CCC2)C1

BDBM748544

CN1CC(C)(C)C[C@H]1C(=O)N[C@@H]1CC[C@@H](Oc2cccc(C(=O)O)c2-c2cccc(F)c2C2CCC2)C1

BDBM748547

CN1CC(C)(C)C[C@H]1C(=O)N[C@@H]1CC[C@@H](Oc2cccc(CC(=O)O)c2-c2ccccc2C2CCC2)C1

BDBM748550

CC1(C)C[C@H](C(=O)N[C@@H]2CC[C@@H](Oc3cccc(C(=O)O)c3-c3cccc(F)c3C3CCC3)C2)CN1

BDBM748565

CN1CC(C)(C)C[C@H]1C(=O)N[C@@H]1CC[C@@H](Oc2cccc(C(=O)NS(=O)(=O)N3CC(F)C3)c2-c2cccc(F)c2C2CCC2)C1

BDBM748574

COC(=O)c1nn(C)cc1-c1ccc(O[C@@H]2CC[C@@H](NC(=O)[C@@H]3CC(C)(C)CN3C)C2)c(-c2cccc(F)c2C2CCC2)c1

BDBM748580

Cn1cc(-c2ccc(O[C@@H]3CC[C@@H](NC(=O)[C@]4(F)CNC5(CCC5)C4)C3)c(-c3cccc(F)c3C3CCC3)c2)c(C(C)(C)C(=O)O)n1

BDBM748583

Cn1cc(-c2ccc(O[C@@H]3CC[C@@H](NC(=O)[C@]4(F)CNC5(CCC5)C4)C3)c(-c3cccc(F)c3C3CCC3)c2)c(C(=O)O)n1

BDBM748586

CCn1cc(-c2ccc(O[C@@H]3CC[C@@H](NC(=O)[C@@]4(F)CNC5(CCC5)C4)C3)c(-c3cccc(F)c3C3CCC3)c2)c(C(=O)O)n1

BDBM748592

CN1CC(C)(C)C[C@H]1C(=O)N[C@H]1C[C@H](Oc2ccc(C(=O)O)cc2-c2cccc(F)c2C2CCC2)C[C@H]1O

BDBM748593

CN1CC(C)(C)C[C@H]1C(=O)N[C@H]1C[C@H](Oc2ccc(CC(=O)O)cc2-c2cccc(F)c2C2CCC2)C[C@H]1O

BDBM220447

CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2cc[nH]3)C)Oc4ccc(cc4F)F

BDBM342597

Cc1[nH]c(c2CCCC(=O)c12)-c1cc(NS(C)(=O)=O)ccc1Oc1ccccc1

BDBM50249797

CCc1cc2cc(NS(=O)(=O)c3ccc(cc3)C#N)ccc2n(CC)c1=O

BDBM50157646

CN1c2ccccc2C=CC1=O

BDBM50269847

CNC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1

BDBM50269849

CC(=O)N1CCc2c(c(nn2C3CCOCC3)N4CCCc5c4cc(c(c5)c6cnn(c6)C)C(F)F)C1

BDBM50303931

CN(C)c1ccc(O)c2ccccc12

BDBM50282490

CS(=O)(=O)Nc1ccc(O)c2ccccc12

BDBM50425036

Oc1ccc([N+]([O-])=O)c2ccccc12

BDBM43307

Cc1ccc(cc1)S(=O)(=O)Nc1ccc(O)c2ccccc12

c1cc(ccc1N)O

Nc1ccc(O)c2ccccc12

Nc1ccc(O)c2ccncc12

COc1ccc(N)c2ccccc12

CCCCCCCCCC(=O)Nc1ccc(O)c2ccccc12

BDBM50282493

Oc1ccc(NC(=O)Cc2ccccc2)c2ccccc12

BDBM50282492

COc1cc(O)c2ccccc2c1N

BDBM50311261

COc1ccc2n(cc(C(=O)Nc3cc(cc(c3)-c3ccco3)C(O)=O)c2c1)C(C)=O

BDBM50311384

COc1ccc2n(cc(C(=O)Nc3cc(cc(c3)-c3cnn(C)c3)C(O)=O)c2c1)C(C)=O

BDBM50311385

COc1ccc2n(cc(C(=O)Nc3cc(cc(-c4cnn(C)c4)c3F)C(O)=O)c2c1)C(C)=O

BDBM50311387

CC(=O)n1cc(C(=O)Nc2cccc(c2)C(O)=O)c2ccccc12

BDBM50311440

CC(=O)n1cc(C(=O)Nc2cc(ccc2F)C(O)=O)c2ccccc12

BDBM50311438

CC(=O)n1cc(C(=O)Nc2cc(COC3CCCCO3)cc(c2)C(O)=O)c2ccccc12

BDBM50311439

CC(=O)n1cc(C(=O)Nc2cc(cc(c2)-c2ccco2)C(O)=O)c2ccccc12

BDBM188519

COc1ccc(CCc2nc3cc(ccc3n2C[C@H](C)N2CCOCC2)-c2c(C)noc2C)cc1Cl |r|

BDBM50366670

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Nc3cc(nn3C)C3CC3)c21 |(86.87,-46.33,;85.61,-45.43,;84.21,-46.07,;84.06,-47.6,;82.66,-48.24,;81.41,-47.34,;81.56,-45.82,;82.95,-45.18,;83.09,-43.65,;81.94,-42.63,;80.43,-42.97,;82.55,-41.22,;84.08,-41.36,;84.42,-42.87,;85.83,-43.48,;80.17,-48.26,;80.66,-49.73,;79.89,-51.06,;80.66,-52.39,;79.89,-53.73,;82.21,-52.4,;82.97,-51.06,;84.51,-51.06,;85.28,-52.39,;84.66,-53.8,;85.81,-54.83,;87.14,-54.06,;86.82,-52.56,;87.85,-51.41,;85.64,-56.36,;84.75,-57.61,;86.28,-57.77,;82.2,-49.71,)|

BDBM179481

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)|

BDBM50453949

CNC(=O)c1ccc(cn1)-c1cc2cccc(-c3nn(C4CCOCC4)c4CCN(Cc34)C(C)=O)c2cn1

BDBM50455480

CC(=O)N1c2ccc(cc2N(C[C@@H]1C3CC3)Cc4ccccc4CO)C5=CCNCC5

BDBM50255522

[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8])([#8])=O)-n1cnc2c(-[#7])ncnc12)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|

BDBM50366305

[#6]\[#6](-[#6])=[#6]\[#6]-[#6@H](-[#6][C@]12[#6]-[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)=[#6]1-[#8])[#6]2=O)-[#6](-[#6])=[#6] |r,c:37,TLB:40:39:26.37.24:15.8.9|

BDBM50240436

CCCCCCCCCCCCCCCc1cccc(O)c1C(O)=O

BDBM50346554

Fc1ccc(cc1)-n1sc2ncccc2c1=O

BDBM50506380

Cn1cc(cn1)-c1ccc2c(CC[C@]22NC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C(F)(F)F)C2=O)c1 |r|

BDBM249277

Cc1noc(C)c1-c1cc(-c2c(C)ccc3ncccc23)c2[nH]c(nc2c1)C1CC1 |(1.89,3.57,;.56,4.34,;.08,5.8,;-1.46,5.8,;-1.94,4.34,;-3.27,3.57,;-.69,3.44,;-.69,1.9,;.64,1.13,;.64,-.41,;1.98,-1.18,;3.31,-.41,;3.31,1.13,;4.65,-1.18,;4.65,-2.72,;3.31,-3.49,;3.31,-5.03,;1.98,-5.8,;.64,-5.03,;.64,-3.49,;1.98,-2.72,;-.69,-1.18,;-1.01,-2.69,;-2.54,-2.85,;-3.17,-1.45,;-2.02,-.41,;-2.02,1.13,;-3.31,-4.19,;-4.65,-4.96,;-3.31,-5.73,)|

BDBM50511789

CC(C)(C)c1ccc(cc1)-c1cc(CNCC2CCNCC2)sc1-c1ccc(cc1)C(C)(C)C

BDBM50234930

NCCCNCc1ccc(NCCCN)[n+]([O-])c1

BDBM50512954

CN1C[C@@H](C[C@@H](C1)c1ccc(Cl)c(c1)C(F)(F)F)Nc1nc2cc[nH]c2c(=O)n1C |r|

BDBM50512955

C[C@H]1CC[C@@H](CC1)NC(=O)c1nn(C)c(=O)c2ccccc12 |r,wU:1.0,wD:4.7,(48.95,-4.33,;50.28,-5.1,;51.62,-4.34,;52.95,-5.1,;52.95,-6.65,;51.62,-7.42,;50.28,-6.64,;54.28,-7.42,;55.62,-6.64,;55.61,-5.1,;56.95,-7.41,;56.95,-8.95,;58.28,-9.71,;58.28,-11.25,;59.61,-8.95,;60.94,-9.72,;59.6,-7.41,;60.94,-6.65,;60.95,-5.11,;59.61,-4.34,;58.28,-5.1,;58.28,-6.63,)|

BDBM50512956

CC=CCn1c(N[C@@H]2C[C@@H](CN(C)C2)c2ccccc2)nc2cc[nH]c2c1=O |r|

BDBM50512957

[H][C@]12CC[C@]([H])(C[C@H](C1)Nc1nc3cc[nH]c3c(=O)n1C)N2Cc1ccccc1 |r,TLB:22:21:7.8.6:2.3|

BDBM50512958

CN1C[C@@H](C[C@@H](C1)c1ccc(OC(F)(F)F)cc1)Nc1nc2cc[nH]c2c(=O)n1C |r|

BDBM50512959

CCCCc1ccc(cc1)[C@H]1C[C@H](CN(C)C1)Nc1nc2cc[nH]c2c(=O)n1C |r|

BDBM50512960

CN1C[C@@H](C[C@@H](C1)c1cccc(Br)c1)Nc1nc2cc[nH]c2c(=O)n1C |r|

BDBM50512961

[H][C@]12CCC[C@]([H])(C[C@H](C1)Nc1nc3cc[nH]c3c(=O)n1C)N2 |r|

BDBM50512962

[H][C@]12CCC[C@]([H])(C[C@@H](C1)Nc1nc3cc[nH]c3c(=O)n1C)N2C |r,TLB:23:22:3.2.4:8.7.9|

BDBM50512963

C[C@@H](CO)Cn1cc(C(C)=O)c2ccccc12 |r|

BDBM50512964

CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc5c(c4)OCCO5

BDBM50512965

CN1C[C@@H](C[C@@H](C1)c1cccc(c1)-c1ccccc1)Nc1nc2cc[nH]c2c(=O)n1C |r|

BDBM50512966

CN1C[C@@H](C[C@@H](C1)c1ccc(O)cc1)Nc1nc2cc[nH]c2c(=O)n1C |r|

BDBM50512967

CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc(cc4)OCc5ccccc5

BDBM50512968

COc1ccc(cc1)[C@H]1C[C@H](CN(C)C1)Nc1nc2cc[nH]c2c(=O)n1C |r|

BDBM50512969

Cn1c(N[C@@H]2C[C@@H](CN(CC=C)C2)c2ccccc2)nc2cc[nH]c2c1=O |r|

BDBM50512970

CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1nc2ccsc2c(=O)n1C |r|

BDBM50512971

Cn1ccc2c1C(=O)N(C(=N2)N[C@@H]3C[C@@H](CN(C3)C)c4ccccc4)C

BDBM50512972

CCn1c(N[C@@H]2C[C@@H](CN(C)C2)c2ccccc2)nc2cc[nH]c2c1=O |r|

BDBM50512973

[H][C@]12CCC[C@]([H])(C[C@@H](C1)Nc1nc3cc[nH]c3c(=O)n1C)N2C[C@H](O)c1ccccn1 |r,TLB:23:22:3.2.4:8.7.9|

BDBM50512974

[H][C@]12CCC[C@]([H])(C[C@@H](C1)Nc1nc3cc[nH]c3c(=O)n1C)N2 |r|

BDBM50512975

CN1C[C@H](C[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccccc4

BDBM311486

C[C@@H](Nc1nn(C)c(=O)c2cccnc12)[C@H](N(C)C)c1ccccc1 |r|

BDBM50234931

C[C@H](Nc1nn(C)c(=O)n(C)c1=O)[C@@H](N(C)C)c1ccc(cc1)S(=O)(=O)c1ccccc1 |r|

BDBM50512976

CN1C[C@@H](C[C@@H](C1)c1ccc(Oc2ccccc2)cc1)Nc1nc2cc[nH]c2c(=O)n1C |r|

BDBM50512977

CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1nc2cc[nH]c2c(=O)n1CC=C |r|

BDBM50512978

CN1CC[C@@H](C[C@@H](C1)c1ccccc1)Nc1nc2cc[nH]c2c(=O)n1C |r|

BDBM50512979

CN1C[C@@H](C[C@@H](C1)c1ccc2ccccc2c1)Nc1nc2cc[nH]c2c(=O)n1C |r|

BDBM50512980

Cc1nnc2n1nc(c3c2cccc3)N[C@@H](C)[C@H](c4ccccc4)N(C)C

BDBM50512981

CN1CCC[C@H](C1)NC2=Nc3cc[nH]c3C(=O)N2C

BDBM50512982

Cn1c(N[C@@H]2C[C@@H](CN(CCc3ccccc3)C2)c2ccccc2)nc2cc[nH]c2c1=O |r|

BDBM50512983

CN1C[C@@H](C[C@@H](C1)c1ccccc1)Nc1nc2cc[nH]c2c(=O)n1CCC=C |r|

BDBM50512984

[H][C@]12CCC[C@]([H])(C[C@@H](C1)Nc1nc3cc[nH]c3c(=O)n1C)N2C[C@H](O)c1ccccc1 |r,TLB:23:22:3.2.4:8.7.9|

BDBM50512985

CN1C[C@H](C[C@H](C1)c1ccccc1)Nc1nc2cc[nH]c2c(=O)n1C |r|

BDBM50398244

Cc1ccc(c(c1)[N+](=O)[O-])NCCCN

BDBM50512986

CN1C[C@H](C[C@H](C1)c1ccc2OCCOc2c1)Nc1nc2cc[nH]c2c(=O)n1C |r|

BDBM50512987

Cn1c(N[C@@H]2C[C@@H](CN(CCO)C2)c2ccccc2)nc2cc[nH]c2c1=O |r|

BDBM50512988

[H][C@]12CCC[C@]([H])(C[C@@H](C1)Nc1nc3cc[nH]c3c(=O)n1C)N2C(=O)OC(C)(C)C |r,TLB:23:22:3.2.4:8.7.9|

BDBM50012070

CC1=CC(=O)c2c(cccc2O)C1=O

BDBM50070942

c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O)O)OC(=O)c4cc(c(c(c4)O)O)O

BDBM50528257

[O-][N+](=O)c1ccc(cc1)-n1sc(Cl)cc1=O

BDBM50539801

CCS(=O)(=O)Nc1cc(cc2n(ccc12)C(C)(c1ccccn1)c1ccccn1)-c1cn(C)c2c1cc[nH]c2=O

BDBM50234942

CNC1=C(C(=O)N(N=C1)C)Cl

BDBM50234934

Cn1ncc(NCc2ccccc2)c(Cl)c1=O

BDBM50504160

CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1

BDBM50346559

FC(F)(F)c1ccc(Cn2sc3ncccc3c2=O)cc1

BDBM50573197

Cn1ncc(Nc2ccc(CCN)cc2)c(Cl)c1=O

BDBM50573200

Cn1ncc(Nc2ccc(CCN)cc2)c(Br)c1=O

BDBM50573201

CN(C)CCCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1

BDBM50573203

NCc1ccc(Nc2cnn(CC#N)c(=O)c2Cl)cc1

BDBM50576416

CCc1nnc2c3ccccc3n(CC(=O)Nc3ccccc3)c(=O)n12

BDBM50576417

CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(OC)cc3)c(=O)n12

BDBM50576418

CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(C)cc3)c(=O)n12

BDBM50576419

CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(Br)cc3)c(=O)n12

BDBM50576420

CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(Cl)cc3)c(=O)n12

BDBM50576421

CCc1nnc2c3ccccc3n(CC(=O)Nc3ccc(cc3)[N+]([O-])=O)c(=O)n12

BDBM50576422

CCc1nnc2c3ccccc3n(CC(=O)Nc3cccc4ccccc34)c(=O)n12

BDBM50579798

COC1=C(Cc2ccc(s2)-c2cn(C)cc(C(O)=O)c2=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|

BDBM50579801

COC1=C(Cc2ccc(s2)-c2cn(Cc3ccccc3)cc(C(O)=O)c2=O)C(=O)N(C1)c1ccc2ccccc2c1 |c:2|

BDBM50580965

CNC(=O)Nc1ccc2c(CC[C@@]22OC(=O)N(CC(=O)N3Cc4cc(F)ccc4OC[C@H]3C3CC3)C2=O)c1 |r|

BDBM50584925

Cc1nnc2n1nc(cc2NC3CCN(CC3)CC(C)(C)F)C(=O)N4[C@H]5Cc6ccccc6[C@@H]4[C@H](NC5=O)C(C)C

BDBM50567476

C(Oc1cnc(-c2ccc(cc2)-c2ccoc2)c(n1)-c1ccc(cc1)-c1ccoc1)C1CCNCC1

BDBM50600305

COc1ccc(cc1)C2(CCCC2)C(=O)N3CS(=O)(=O)C[C@@H]3C(=O)Nc4cccc5c4cn[nH]5

BDBM50346552

Cc1cc(-c2ccc(C=c3c(=C)[nH]n(-c4ccc(cc4)C(O)=O)c3=O)o2)c(cc1C)[N+]([O-])=O |w:8.7|

BDBM50510872

Cc1noc2[C@H](CC(N)=O)N=C(c3ccc(Cl)cc3)c3ccccc3-c12 |r,t:10|

BDBM50615275

COc1cc(ccc1-c1cn(C\C=C\C)c(=O)c2[nH]ccc12)C(C)(C)O

BDBM321437

COc1cc(c(OC)cc1-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12)C(C)(C)O

BDBM50615276

C\C=C\Cn1cc(-c2ccc(cc2)C(=O)N2CCOCC2)c2cc[nH]c2c1=O

BDBM321424

COc1cc(c(OC)cc1C(=O)N1CCOCC1)-c1cn(C\C=C\C)c(=O)c2[nH]c(C)cc12

BDBM50616185

COc1ccc(cc1)C1(CCC(F)(F)CC1)C(=O)N1C[C@H](F)C[C@@H]1C(=O)Nc1ccc2[nH]ncc2n1 |r|

BDBM50631967

NNc1nn2c(nnc2c2ccccc12)C(F)(F)F

BDBM50631968

Oc1ccc(\C=N\Nc2nn3c(nnc3c3ccccc23)-c2ccc(Cl)cc2)cc1

BDBM50247820

CCn1sc(Cl)cc1=O

BDBM50247837

CCCCCn1sc(Cl)cc1=O

BDBM50247838

COC(=O)Cn1sc(Cl)cc1=O

BDBM50247839

COC(=O)CCn1sc(Cl)cc1=O

BDBM50247840

COC(=O)CCCn1sc(Cl)cc1=O

BDBM50247841

COC(=O)CCCCn1sc(Cl)cc1=O

BDBM50247842

COC(=O)CCCCCn1sc(Cl)cc1=O

BDBM50247843

CCOC(=O)CCn1sc(Cl)cc1=O

BDBM50247844

Fc1ccc(cc1Cl)-n1sc(Cl)cc1=O

BDBM50247845

Clc1cc(=O)n(CCNC(=O)OCc2ccccc2)s1

CCn1sccc1=O

CCCCCn1sccc1=O

COC(=O)CCn1sccc1=O

COC(=O)CCCn1sccc1=O

COC(=O)CCCCCn1sccc1=O

BDBM50247868

Fc1ccc(cc1Cl)-n1sccc1=O

BDBM50247869

COC(=O)CCn1c(=O)cc(Cl)s1=O

BDBM50247870

COC(=O)CCNc1cc(Cl)sn1

BDBM50247871

COC(=O)CCn1sc(Cl)c(NC(=O)OCc2ccccc2)c1=O

BDBM50300415

CCCCCCCCCCCCSc1c(Cl)c(=O)n(CCC(=O)OC)s1=O

BDBM50300416

CCCCCCCCCCCCSc1cc(=O)n(CCC(=O)OC)s1=O

BDBM50300417

CCCCCCCCCCCCSc1cc(=O)n(s1=O)C(C)(C)C

BDBM50300418

CC(C)(C)n1c(=O)cc(Cl)s1=O

BDBM50300419

COC(=O)CCn1c(=O)c(C)c(Cl)s1=O

BDBM50300420

COC(=O)CCn1c(=O)c(Cl)c(Cl)s1=O

BDBM50300421

CCn1c(=O)c(C)c(Cl)s1=O

BDBM50300422

CCn1c(=O)c(Cl)c(Cl)s1=O

BDBM50300423

CCn1c(=O)cc(Cl)s1=O

BDBM50300424

COC(=O)CCn1sc(Cl)c(C)c1=O

BDBM50300425

COC(=O)CCn1sc(Cl)c(Cl)c1=O

BDBM50300426

CCn1sc(Cl)c(C)c1=O

BDBM50300427

CCn1sc(Cl)c(Cl)c1=O

BDBM50292429

OC(=O)c1c(O)cccc1CCCCCCC\C=C/C\C=C/CC=C

BDBM50324038

CCCCCOc1ccc(\C=C/c2cccc(O)c2C(O)=O)cc1

BDBM50346555

COc1ccc(cc1)-n1sc2ncc(cc2c1=O)[N+]([O-])=O

BDBM50346556

Cc1cnc2sn(-c3ccc(cc3)[N+]([O-])=O)c(=O)c2c1

BDBM50346557

[O-][N+](=O)c1ccc(cc1)-n1sc2ncccc2c1=O

BDBM50346558

[O-][N+](=O)c1ccc(cc1)-n1sc2ncc(cc2c1=O)[N+]([O-])=O

BDBM50346560

[O-][N+](=O)c1ccc2c(c1)sn(Cc1ccccc1)c2=O

BDBM50346561

Cc1cnc2sn(-c3ccc(Br)cc3)c(=O)c2c1

BDBM50346562

Brc1ccc(cc1)-n1sc2ncccc2c1=O

BDBM50346563

[O-][N+](=O)c1cnc2sn(-c3ccc(Br)cc3)c(=O)c2c1

BDBM50346564

Cc1cnc2sn(-c3ccc(Oc4ccccc4)cc3)c(=O)c2c1

BDBM50346565

COc1ccc(cc1)-n1sc2ncccc2c1=O

BDBM50346566

CCCCc1ccc(cc1)-n1sc2ncccc2c1=O

BDBM50037078

O=c1n(sc2ncccc12)-c1ccccc1

BDBM50346567

Clc1ccc(cc1)-n1sc2ncccc2c1=O

BDBM50346568

Clc1ccc(cc1Cl)-n1sc2ncccc2c1=O

BDBM50346569

Fc1ccc(cc1F)-n1sc2ncccc2c1=O

BDBM50346570

Cc1ccc(cc1)-n1sc2ncccc2c1=O

BDBM50346571

COc1cccc(c1)-n1sc2ncccc2c1=O

BDBM50346572

O=c1n(Cc2ccccc2)sc2ncccc12

BDBM50346573

Clc1ccc(Cn2sc3ncccc3c2=O)cc1

BDBM50346574

Clc1ccc(Cn2sc3ncccc3c2=O)cc1Cl

BDBM50346575

Fc1ccc(Cn2sc3ncccc3c2=O)cc1

BDBM50346576

Fc1ccc(Cn2sc3ncccc3c2=O)cc1F

BDBM50346577

Cc1ccc(Cn2sc3ncccc3c2=O)cc1

BDBM50346578

COc1cccc(Cn2sc3ncccc3c2=O)c1

BDBM50346579

Cc1ccc(cc1)-n1sc2cc(F)ccc2c1=O

BDBM50346580

[O-][N+](=O)c1cc(ccc1Cl)-n1sccc1=O

BDBM50346581

COc1ccc(cc1)-n1sc2ncc(C)cc2c1=O

BDBM50241990

[#6]\[#6](-[#6])=[#6]\[#6]-[#6@@H](-[#6][C@@]12[#6]-[#6@@H](-[#6]\[#6]=[#6](\[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6]1=O)[#6]2=O)-[#6](-[#6])=[#6] |r,TLB:40:39:26.24.37:15.8.9|

O=c1ccsn1-c1ccccc1

O=c1ccsn1-c1ccccn1

O=c1ccsn1-c1cccnc1

O=c1ccsn1-c1ccncc1

CN(C)c1ccc(cc1)-n1sccc1=O

BDBM50247909

O=c1ccsn1-c1ccc(cc1)N1CCOCC1

BDBM50247910

OCc1cc(=O)n(s1)-c1ccccc1

BDBM50247914

CC(=O)OCc1cc(=O)n(s1)-c1ccccc1

BDBM50247583

O=C(Nc1ccccc1)OCc1cc(=O)n(s1)-c1ccccc1

BDBM50247585

[N-]=[N+]=NCc1cc(=O)n(s1)-c1ccccc1

BDBM50247586

Cc1cc(=O)n(s1)-c1ccccc1

BDBM50247587

O=c1cc(sn1-c1ccccc1)-c1ccccc1

BDBM50247588

Cc1csn(-c2ccccc2)c1=O

BDBM50247589

COCc1csn(-c2ccccc2)c1=O

BDBM50247590

[N-]=[N+]=NCc1csn(-c2ccccc2)c1=O

BDBM50247600

Cc1c(Cl)sn(-c2ccccc2)c1=O

BDBM50247614

COc1sn(-c2ccccc2)c(=O)c1C

BDBM50247615

Fc1cc(cc(F)c1F)-n1sccc1=O

BDBM50247616

Fc1c(Cl)cccc1-n1sccc1=O

BDBM50255524

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50255525

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50255526

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50255527

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CO)NC(C)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(O)=O |r|

BDBM50255528

[#6]-[#6@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-1-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-1-[#8]P([#8])([#8])=O)-n1cnc2c(-[#7])ncnc12)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r|

BDBM50367033

CC(C)(CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCS)O

BDBM50255529

CC(=O)N[C@@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(N)=O |r|

BDBM50443232

Cc1cc(c(cc1O)N)/N=N/c2ccc(cc2)S(=O)(=O)Nc3ccccn3

BDBM50445037

[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8]P([#8])([#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-n1cc(-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8]P([#8])([#8])=O)-n2cnc3c(-[#7])ncnc23)nn1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|

BDBM50445038

[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-n1cc(-[#6]-[#16]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#6]-[#7]-[#6](=O)-[#6@@H](-[#8])C([#6])([#6])[#6]-[#8]P([#8])(=O)[#8]P([#8])(=O)[#8]-[#6]-[#6@H]-2-[#8]-[#6@H](-[#6@H](-[#8])-[#6@@H]-2-[#8]P([#8])([#8])=O)-n2cnc3c(-[#7])ncnc23)nn1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r|

BDBM50028142

C[C@H]1C[C@@H](Nc2ccc(Cl)cc2)c2cc(ccc2N1C(C)=O)-c1ccc(cc1)C(O)=O |r|

BDBM50098305

Cc1cncc(c1)-c1ccc(N[C@@H]2CCNC[C@H]2OCC2CCS(=O)(=O)CC2)c2[nH]c(=O)c(C)cc12 |r|

BDBM50098311

CN1CC[C@@H](Nc2ncc(-c3cncc(C)c3)c3cc(C)c(=O)[nH]c23)[C@@H](C1)OCC1CCS(=O)(=O)CC1 |r|

BDBM50150068

CNC(=O)c1cc(ccc1OC2CCOCC2)OCC(=O)Nc3ccccc3

BDBM50150060

CC1=CC(=O)N(c2c1ccc(c2)NS(=O)(=O)C)C

BDBM50151650

CNC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(C)NC(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(NC(=O)CNC(=O)CNC(=O)NC(CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1OP(O)(O)=O)n1cnc2c(N)ncnc12)C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(O)=O)C(C)O)C(C)O)C(C)O

BDBM50151653

[#6]-[#6](-[#6])\[#6]=[#6]\[#6@@H](-[#6][C@@]12[#6]-[#6@@H](\[#6]=[#6]/[#6](-[#6])-[#6])C([#6])([#6])[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)=[#6]1-[#8])[#6]2=O)-[#6](-[#6])=[#6] |r,c:37,THB:40:39:26.37.24:15.8.9|

BDBM50078850

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)O)O

BDBM50151658

[#6]-[#8]-c1ccc(cc1)S(=O)(=O)[#8]\[#7]=[#6]-1/[#6]=[#6](-[#6])-[#6](=O)-[#6](-[#6])=[#6]-1 |c:21,t:15|

BDBM50151659

COc1ccc(cc1OC)C1CC(=NN1c1nc(cs1)-c1ccc(cc1)N1C(=O)c2ccccc2C1=O)c1cccs1 |c:13|

BDBM50151660

S(Sc1ccns1)c1ccns1

BDBM50200385

CC(=O)N1CCc2c(c(n[nH]2)Nc3ccccc3)C1

BDBM50200384

CC(=O)N1CCc2c(C1)c(Nc1ccc(cc1F)-c1cnn(C)c1)nn2[C@@H]1CCOC1 |r|