SMILES for Signal transducer and activator of transcription 1-alpha/beta

CC1CCc2c(O)n(c(O)c2C1)-c1ccccc1OC(=O)c1ccccc1 |(3.08,4.19,;4.41,3.42,;4.41,1.88,;5.75,1.11,;7.08,1.88,;8.54,1.41,;9.02,-.05,;9.44,2.65,;8.54,3.89,;9.02,5.35,;7.08,3.42,;5.75,4.19,;10.98,2.65,;11.75,3.98,;13.29,3.98,;14.06,2.65,;13.29,1.32,;11.75,1.32,;10.98,-.02,;11.75,-1.35,;13.29,-1.35,;10.98,-2.69,;9.44,-2.69,;8.67,-4.02,;9.44,-5.35,;10.98,-5.35,;11.75,-4.02,)|

BDBM43561

CC1Cc2ccccc2N1Cc1cc(=O)n2ccsc2n1

BDBM518386

CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1cc(Cl)cc(Cl)c1 |c:19|

BDBM50189952

CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:19|

BDBM50189973

CC1Sc2nnc(-c3cc(n[nH]3)-c3ccc(F)cc3)n2N=C1c1ccccc1 |c:23|

BDBM50189972

CC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1 |c:22|

BDBM43568

CCC(=O)NCCSc1c[nH]c2ccccc12

BDBM43566

CCC(C(=O)Nc1ccccc1OC)n1c(cc2ccsc12)C(=O)OC

BDBM46415

CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2)c(c1)C(C)(C)CC

BDBM438792

CCC(C)C1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(OC)cc1 |c:22|

BDBM438793

CCC(C)C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccc(OC)cc1 |c:25|

BDBM46414

CCC(C)NC(=S)Nc1ccc(cc1)C(=O)OC

BDBM67130

CCC(C)c1ccc(cc1)-c1csc(Cn2c(CN3CCN(C)CC3)nc3ccccc3c2=O)n1

BDBM43616

CCC(CC)NC(=O)Cc1ccccc1[N+]([O-])=O

BDBM67119

CCC(N1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1)C(=O)Nc1ccccc1

BDBM46409

CCC1N(Cc2nc(oc2C)-c2ccc(cc2)-c2ccccc2)CCNC1=O

BDBM50569071

CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccc(OC)cc4)sc3c2)c(OC)c1C |r|

BDBM50569070

CCCC(C)Oc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N[C@@H](C)c4ccccc4)sc3c2)c(OC)c1C |r|

BDBM438794

CCCCC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:22|

BDBM46410

CCCCCCCc1ccc(nc1)-c1ccc(O)cc1

BDBM20282

CCCCCCNC(=O)c1nc(oc1Cc1ccc(OP(O)(O)=O)cc1)-c1cccc2ccccc12

BDBM46349

CCCCOc1ccc(cc1)C(=O)Nc1ccncc1

BDBM43614

CCCN(CCC)C(=O)Cn1c2ccccc2c2nc(=O)cc(C)n12

BDBM43615

CCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n12

BDBM40249

CCCNC(=O)c1ccc(s1)-c1nc2ccccc2s1

BDBM46401

CCCOc1cc[c-](C=[NH+]NC(=S)Nc2ccccc2[N+]([O-])=O)c(=O)c1 |w:9.9|

BDBM46392

CCCOc1ccc(CSc2nc3ccccc3[nH]2)cc1

BDBM43562

CCCSc1nnc(Sc2nnnn2-c2ccccc2)s1

BDBM43577

CCCc1cc(no1)C(=O)Nc1cc(OC)c(Cl)cc1OC

BDBM43597

CCCc1nnc(s1)N1C(=O)c2cccc3cccc(C1=O)c23

BDBM43542

CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(nc3ccccc23)-c2ccccn2)c1

BDBM43588

CCN(CC)S(=O)(=O)c1ccc(cc1)-c1nnc2sc3cccc(C)c3n12

BDBM46351

CCN(CC)c1ccc(NC(=O)CN2C(=O)CSc3ncccc23)c(C)c1

BDBM30718

CCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1

BDBM43589

CCN1CCN(CC1)C(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1

BDBM43686

CCOC(=O)C(=C\c1cc(C)n(c1C)-c1ccccc1)\C#N

BDBM43511

CCOC(=O)C(C=Nc1cc(C)nn1-c1ccccc1)C(=O)OCC |w:7.7|

BDBM43642

CCOC(=O)C1(CC2CCCCO2)CCN(Cc2cc3ccccc3[nH]2)CC1

BDBM33082

CCOC(=O)C1=C(Cc2ccc(C)cc2)C(=O)c2ccccc2C1=O |c:5|

BDBM43593

CCOC(=O)CC1N(CCNC1=O)C(=O)c1cc2c(nc3c(C)cccn3c2=O)s1

BDBM43506

CCOC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1

BDBM46341

CCOC(=O)Cc1csc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1

BDBM43540

CCOC(=O)N1CCN(CC1)C(=O)\C=C\c1c(C)nn(c1Cl)-c1ccc(F)cc1

BDBM43523

CCOC(=O)N1CCN(CC1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1

BDBM43505

CCOC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O

BDBM67127

CCOC(=O)Nc1ccc2c(CSc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1

BDBM43514

CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(OC)cc4)c3=O)c2c1-c1ccc(OC)cc1

BDBM46350

CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1

BDBM67110

CCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1

BDBM39003

CCOC(=O)c1oc2ccc(cc2c1C)S(=O)(=O)Nc1ccc2n(C)c(=O)n(C)c2c1

BDBM43559

CCOC(=O)c1sc(NCc2ccco2)c(c1N)-c1nc2ccccc2s1

BDBM46364

CCOC(=O)c1sc2nc(CC(=O)OC)nc(NCc3ccc(Cl)cc3)c2c1C

BDBM43539

CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1ccc(cc1)C#C)C(=O)OCC=C |c:5|

BDBM43515

CCOc1cc(cc(OCC)c1OCC)-c1noc(N)c1C#N

BDBM43572

CCOc1cc(ccc1N)-c1ccc(N)c(OCC)c1

BDBM46384

CCOc1cc(ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=S)N1CCOCC1

BDBM43639

CCOc1ccc(CN2CCN(Cc3cc4ccccc4[nH]3)CC2CCO)cc1

BDBM67099

CCOc1ccc(cc1)-c1csc(Cn2c(CN3CCN(C)CC3)nc3ccccc3c2=O)n1

BDBM50103749

CCOc1ccc2c(C)nc(NC3=NC(C)=CC(C)(C)N3)nc2c1 |c:15,t:12|

BDBM50103643

CCOc1ccc2nc(NC3=NC(C)=CC(C)(C)N3)nc(C)c2c1 |c:13,t:10|

BDBM50103886

CCOc1ccc2nc(Nc3nc(=O)c(C)c(C)[nH]3)nc(C)c2c1

BDBM50103884

CCOc1ccc2nc(Nc3nc(=O)c(Cc4ccccc4)c(C)[nH]3)nc(C)c2c1

BDBM50103885

CCOc1ccc2nc(Nc3nc(=O)cc(C)[nH]3)nc(C)c2c1

BDBM50103883

CCOc1ccc2nc(Nc3nc(=O)cc([nH]3)-c3ccccc3)nc(C)c2c1

BDBM67134

CCOc1ccc2oc(=O)cc(CSc3nc4ccccc4c(=O)[nH]3)c2c1

BDBM43603

CCOc1ccccc1-c1nnc(S)o1

BDBM43629

CCOc1ccccc1C1CC(=NN1S(C)(=O)=O)c1cccs1 |c:12|

BDBM43626

CCOc1ccccc1CN1CCN(Cc2cc3ccccc3[nH]2)CC1CCO

BDBM67107

CCOc1ccccc1NC(=O)C(N1CCN(CC1)S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1

BDBM46405

CCOc1ncccc1C(=O)OCC(=O)Nc1ccc(cc1)-c1nc2ccc(C)cc2s1

BDBM46416

CC[n+]1ccccc1\C=C\c1ccc(cc1)N(C)C

BDBM46347

CCc1c(C)c2ccc(OCC(=O)OC(C)C)c(C)c2oc1=O

BDBM43549

CCc1cc2c(NCCC(O)=O)nc(C)nc2s1

BDBM43590

CCn1c(cc2sc(Cl)cc12)C(=O)Nc1ccsc1C(=O)OC

BDBM37480

CCn1c2ccccc2c2sc(cc2c1=O)C(=O)N1CCCC1

BDBM43610

CN(C)C(=O)COC(=O)\C=C\c1ccccc1[N+]([O-])=O

BDBM67124

CN(C)C(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12

BDBM43556

CN(C)C(CN1C(=O)C2CC=CCC2C1=O)c1cn(C)c2ccccc12 |c:10|

BDBM67103

CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(cs1)-c1cccc(c1)[N+]([O-])=O

BDBM67141

CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(cs1)C(C)(C)C

BDBM46389

CN(C)S(=O)(=O)Oc1cccc(c1)C(=O)Nc1ccc(Cl)cc1

BDBM37205

CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nc(cs1)-c1cccs1

BDBM37164

CN(C)\C=C\c1onc(C)c1S(=O)(=O)N1CCc2ccccc12

BDBM50382459

CN(CC(=O)N(Cc1ccc(cc1)-c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1

BDBM50353445

CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1c(C)cc(C)cc1C

BDBM50353441

CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1

BDBM50353435

CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(Cl)cc1

BDBM50353444

CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(cc1)-c1ccccc1

BDBM50382461

CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)S(=O)(=O)c1ccc(cc1)C#N)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1

BDBM50382462

CN(CC(=O)N(Cc1ccc(cc1)C1CCN(CC1)c1ccc(cc1)C(N)=O)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1ccc(C)cc1

BDBM43552

CN(Cc1c[nH]c2ccccc12)Cc1ccccc1

BDBM67121

CN(Cc1ccccc1N1CCCC1)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12

BDBM46365

CN(c1ccc(cc1)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)S(=O)(=O)c1ccc(C)cc1

BDBM43516

CN(c1cccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccccc2)c1)S(C)(=O)=O

BDBM46426

CN1C(=CC(=O)C[n+]2ccc(cc2)C(=O)c2ccccc2)C(C)(C)c2ccccc12 |w:3.3|

BDBM46424

CN1C(=CC(=O)C[n+]2ccc3ccccc3c2)C(C)(C)c2ccccc12 |w:3.3|

BDBM43655

CN1C(=O)\C(=C/c2cc(Br)cs2)c2ccccc12

BDBM43567

CN1C(C(C(=O)NCCCN2CCCC2=O)c2ccccc2C1=O)c1c[nH]c2ccccc12

BDBM43646

CN1CCN(CC1)C(=O)CNc1ccc(cc1[N+]([O-])=O)C(F)(F)F

BDBM67093

CN1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O

BDBM43585

CN1CCN(CCCNC(=O)c2cc3c(nn(C)c3s2)-c2ccc(Cl)cc2)CC1

BDBM43520

CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2ccc3ccccc3c2)CC1

BDBM43541

CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)CC1

BDBM43519

CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2ccccc2F)CC1

BDBM43622

CN1N=C(CCC1=O)C(=O)N1CCc2c([nH]c3ccccc23)C1c1c(F)cccc1Cl |c:2|

BDBM46406

CNC(=O)Oc1cccc(c1)-c1cn2cc(Cl)ccc2n1

BDBM67125

CNC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12

BDBM46404

CNc1ccccc1C(C)(C)c1cc(no1)-c1ccc(F)cc1

BDBM43565

COC(=O)C(NC=O)C(O)(Cc1ccccc1)C(F)(F)F

BDBM43530

COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C1c1cccs1)C(=O)OC |c:19,t:4|

BDBM43513

COC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1

BDBM43633

COC(=O)NNC(=O)c1ccccc1OC

BDBM46377

COC(=O)Oc1ccc(C=NNC(=O)CSCc2ccccc2Br)cc1OC |w:10.10|

BDBM46336

COC(=O)c1cccc(NC(=O)CSc2nc3cccnc3n2C)c1

BDBM50382460

COC(=O)c1cccc(c1)-c1ccc(cc1)-c1ccc(CN(C(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c2ccc(C(O)=O)c(O)c2)cc1

BDBM43550

COC(=O)c1n[nH]c2ccccc12

BDBM67126

COC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12

BDBM46374

COC(=O)c1nn(cc1O)-c1ccc2N(CCc2c1)C(C)=O

BDBM30930

COC(=O)c1sccc1NC(=O)c1cc2CCCCc2s1

BDBM43021

COC(=O)c1sccc1NC(=O)c1ccc(Br)s1

BDBM43501

COCC(C)NC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(OC)cc1

BDBM43576

COCCCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1

BDBM43651

COCCCNc1nc2c(nnn2c2ccccc12)-c1cccc(c1)C(F)(F)F

BDBM43643

COCCNC(=O)C(=O)NNC(=O)c1ccccc1OC

BDBM43582

COCCNC(=O)c1cc2c(nn(C)c2s1)-c1ccc(Cl)cc1

BDBM43631

COCCSc1ccccc1C(=O)NCCc1ccccc1

BDBM43546

COCc1cc(=O)n2c(n[nH]c2n1)-c1ccccc1OC

BDBM43648

COCc1cc(C)nc2sc(C(=O)NN)c(-n3cccc3)c12

BDBM43569

COc1cc(NC(=O)c2cc(on2)-c2ccco2)c(OC)cc1Cl

BDBM43599

COc1cc(NC(=O)c2cc(on2)C(C)C)c(OC)cc1Cl

BDBM43604

COc1cc(NC(=O)c2cc(on2)C2CC2)c(OC)cc1Cl

BDBM46353

COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1)-c1nc2ccccc2o1

BDBM46402

COc1cc(OC)cc(c1)C(=O)Nc1nnc(NC(=S)Nc2ccccc2)s1

BDBM67140

COc1cc2nc(CN3CCOCC3)n(Cc3cc(no3)-c3ccccc3OC)c(=O)c2cc1OC

BDBM67139

COc1cc2nc(CN3CCOCC3)n(Cc3coc(n3)-c3ccccc3)c(=O)c2cc1OC

BDBM67138

COc1cc2nc(CN3CCOCC3)n(Cc3nnc(o3)-c3ccc(Cl)cc3)c(=O)c2cc1OC

BDBM43607

COc1ccc(Br)cc1C(=O)Nc1cccc(C)c1

BDBM46360

COc1ccc(Br)cc1C(C)=NNC1=NCCN1 |w:11.12,t:14|

BDBM46342

COc1ccc(C)cc1-n1nnnc1SCn1nnc2ccccc2c1=O

BDBM67106

COc1ccc(C)cc1NC(=O)C(N1CCN(CC1)S(=O)(=O)c1ccc(F)cc1)c1ccccc1

BDBM30793

COc1ccc(C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C

BDBM43640

COc1ccc(C2N(CCc3c2[nH]c2ccccc32)C(=O)c2cc3ncccn3n2)c(F)c1

BDBM43636

COc1ccc(C2N(CCc3c2[nH]c2ccccc32)C(=O)c2ccc(=O)n(C)n2)c(F)c1

BDBM46422

COc1ccc(C=NNC(=S)Nc2cccc(c2)C(O)=O)cc1 |w:7.7|

BDBM46400

COc1ccc(C=NNC(=S)Nc2ccccc2[N+]([O-])=O)cc1O |w:7.7|

BDBM46427

COc1ccc(CC(=O)Nc2cccc(SC)c2)cc1OC

BDBM31347

COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC

BDBM43522

COc1ccc(CCNC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)cc3)c2=O)cc1OC

BDBM43535

COc1ccc(CCNc2ncnc3cc(OC)c(OC)cc23)cc1OC

BDBM43601

COc1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)cc1Br

BDBM43537

COc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1OC

BDBM43578

COc1ccc(Cl)cc1-c1nc(no1)-c1ccc(Br)o1

BDBM43600

COc1ccc(Cl)cc1NC(=O)Nc1ccc(Br)cn1

BDBM40021

COc1ccc(Cl)cc1NC(=O)c1oc(C)nc1C

BDBM43575

COc1ccc(NC(=O)N2CCn3c2nc2ccccc32)cc1

BDBM46394

COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(cc3)N(C)S(C)(=O)=O)cc2)cc1

BDBM43736

COc1ccc(cc1)-c1cc(C)nc2c(cnn12)-c1ccccc1

BDBM43697

COc1ccc(cc1)-c1csc(n1)-n1c(O)c[nH]c1=S

BDBM43571

COc1ccc(cc1)-c1nc2scc(-c3ccccc3)n2n1

BDBM31699

COc1ccc(cc1)-c1nnc(Nc2nc3c(OC)cccc3s2)o1

BDBM50189929

COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:9|

BDBM50189930

COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:9|

BDBM50190100

COc1ccc(cc1)C1=Nn2c(SC1C(C)C)nnc2-c1[nH]nc2CCCc12 |t:9|

BDBM50189953

COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1[nH]nc2CCCc12 |t:9|

BDBM50189975

COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(Cl)cc1 |t:9|

BDBM50189974

COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(F)cc1 |t:9|

BDBM518333

COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:9|

BDBM50190102

COc1ccc(cc1)C1=Nn2c(SC1CC(C)C)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:9|

BDBM67098

COc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O

BDBM46366

COc1ccc(cc1NC(=O)COc1ccc(C)cc1)-c1nn(C)c(=O)c2ccccc12

BDBM43531

COc1ccc(cc1OC)-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cc(C)on1)C(F)(F)F

BDBM43525

COc1ccc(cc1OC)-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cccc(O)c1)C(F)(F)F

BDBM43453

COc1ccc(cc1OC)-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cccnc1Cl)C(F)(F)F

BDBM43533

COc1ccc(cc1OC)-n1c(SCc2cccnc2)nc2CCSc2c1=O

BDBM46369

COc1ccc(cc1OC)C(=O)Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1

BDBM43598

COc1ccc(cc1OC)S(=O)(=O)Nc1nc2ccccc2s1

BDBM50131053

COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1

BDBM50103637

COc1ccc2c(C)nc(Nc3nc(C)cc(O)n3)nc2c1

BDBM46397

COc1ccc2cc(ccc2c1)-c1cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2n1

BDBM50103648

COc1ccc2nc(Nc3nc(=O)c(Cc4ccccc4)c(C)[nH]3)nc(C)c2c1

BDBM50103747

COc1ccc2nc(Nc3nc(=O)cc(C)[nH]3)nc(C)c2c1

BDBM46340

COc1ccc2nc3n(CC(C)C)nc(NC(=O)c4cccs4)c3cc2c1

BDBM67108

COc1cccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccc(C)cc2)c2ccccc2)c1

BDBM20279

COc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(OP(O)(O)=O)cc2)NC(=O)c2ccc(cc2)C#N)c1 |r|

BDBM46344

COc1cccc(c1)-c1cc(no1)C(=O)Nc1cccc(O)c1

BDBM67136

COc1cccc(c1)-c1csc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)n1

BDBM43558

COc1cccc(c1O)-c1nc(N2CCCCC2C)c2ccccc2n1

BDBM40201

COc1cccc2sc(Nc3nnc(o3)-c3ccc(F)cc3)nc12

BDBM43507

COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)N1CCOCC1)C(F)(F)F

BDBM43454

COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cccnc1Cl)C(F)(F)F

BDBM43509

COc1ccccc1-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F

BDBM43581

COc1ccccc1-c1nnc(SCC(=O)NC2CCCCC2)o1

BDBM43634

COc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1

BDBM43632

COc1ccccc1C(=O)NNC(=S)Nc1ccccc1

BDBM43554

COc1ccccc1C(=O)Nc1cc(Cl)ccc1O

BDBM43536

COc1ccccc1CNc1ncnc2cc(Cl)ccc12

BDBM43560

COc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C

BDBM38926

COc1ccccc1OCC(=O)c1[nH]c(C)c(C(C)=O)c1C

BDBM43524

CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1

BDBM31063

CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1

BDBM31064

CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1

BDBM46367

CSc1ccc(NC(=O)N2CCN(CC2)c2nc3ccccc3s2)cc1

BDBM50286739

C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O |r,t:33|

BDBM50240982

C[C@H]1CCC[C@@H](O)CCC\C=C\c2cc(O)cc(O)c2C(=O)O1 |r,t:10|

BDBM46356

C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:45|

BDBM46355

C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C |t:46|

BDBM43627

Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=O)NC1=O |(11.48,2.91,;10.05,2.33,;8.74,3.14,;7.56,2.15,;6.07,2.53,;5.64,4.01,;4.15,4.38,;3.08,3.27,;3.5,1.79,;5,1.42,;8.14,.73,;7.32,-.58,;9.68,.83,;10.67,-.35,;12,-1.12,;12,-2.66,;10.67,-3.43,;13.33,-3.43,;14.67,-2.66,;16,-3.43,;14.67,-1.12,;13.33,-.35,;13.33,1.19,)|

BDBM43647

Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C=c2ccccc2=N1 |w:13.14,c:24,t:17|

BDBM43547

Cc1c(C#N)c2ccccc2n1CC(O)=O

BDBM43534

Cc1c([nH][nH]c1=O)C(=O)NN=CC(Br)=Cc1ccccc1 |w:10.10,14.15|

BDBM43613

Cc1cc(-c2ccc(Cl)cc2)c(C#N)c(N)n1

BDBM68332

Cc1cc(-c2ccc(F)cc2)n2ncc(-c3ccccc3)c2n1

BDBM68333

Cc1cc(-c2ccncc2)n2ncc(-c3ccccc3)c2n1

BDBM43508

Cc1cc(=O)n(cn1)C(NC(=O)c1ccccc1)C(=O)c1ccccc1

BDBM50103647

Cc1cc(=O)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[nH]1

BDBM50103645

Cc1cc(=O)nc(Nc2nc(C)c3cc4OCOc4cc3n2)[nH]1

BDBM50103760

Cc1cc(C)c2nc(Nc3nc(=O)c(CC=C)c(C)[nH]3)nc(C)c2c1

BDBM50103761

Cc1cc(C)c2nc(Nc3nc(=O)cc([nH]3)-c3ccccc3)nc(C)c2c1

BDBM50103829

Cc1cc(C)c2nc(Nc3nc(C)c(C)c(O)n3)nc(C)c2c1

BDBM50103759

Cc1cc(C)c2nc(Nc3nc(C)cc(O)n3)nc(C)c2c1

BDBM46386

Cc1cc(C)n(Cc2ccc(NC(=O)c3ccc(COc4ccccc4Br)cc3)cc2)n1

BDBM43574

Cc1cc(C)n(n1)-c1nnc2SCC(=Nn12)c1c[nH]c2ccccc12 |c:14|

BDBM38996

Cc1cc(NC(=O)CCCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)-c2cccs2)no1

BDBM37289

Cc1cc(NC(=O)c2cc(on2)-c2cccs2)nn1Cc1ccc(Cl)cc1

BDBM46370

Cc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Br

BDBM46354

Cc1cc(OCC(=O)Nc2ccncc2)ccc1Br

BDBM50103644

Cc1cc2nc(Nc3nc(=O)c(C)c(C)[nH]3)nc(C)c2cc1C

BDBM67128

Cc1cc2oc(=O)cc(CSc3nc4ccccc4c(=O)[nH]3)c2cc1Cl

BDBM67116

Cc1ccc(C)c(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2C#N)c2ccccc2)c1

BDBM67102

Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1

BDBM43608

Cc1ccc(CC(=O)Nc2nc3CCCCc3s2)cc1

BDBM50103765

Cc1ccc(CNc2nc(C)c3ccccc3n2)o1

BDBM67112

Cc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1

BDBM46421

Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1

BDBM46417

Cc1ccc(c(C)c1)-n1ncc2c(SCc3cccnc3)ncnc12

BDBM46373

Cc1ccc(c(C)c1)-n1nnnc1SCn1nnc2ccccc2c1=O

BDBM46407

Cc1ccc(cc1)-c1cn2cc(ccc2n1)[N+]([O-])=O

BDBM36973

Cc1ccc(cc1)-c1csc2ncnc(Sc3nnc(CN4CCCCCC4=O)o3)c12

BDBM43529

Cc1ccc(cc1)C1=NNC(c2ccncc2)=c2ccc3ccccc3c2=N1 |c:30,t:8,18|

BDBM50382463

Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C

BDBM50440967

Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)Cc1ccccc1C(F)(F)F

BDBM50382464

Cc1ccc(cc1)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)c1ccc(C(O)=O)c(O)c1)C(=O)OC(C)(C)C

BDBM43521

Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1

BDBM20283

Cc1ccc(cc1)S(=O)(=O)OCC(=O)Nc1ccc(C(O)=O)c(O)c1

BDBM43512

Cc1ccc(cc1C)-n1nc(C(O)=O)c2ccccc2c1=O

BDBM67123

Cc1ccc(cc1Cl)-n1nc(C(O)=O)c2ccccc2c1=O

BDBM50000029

Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

BDBM39043

Cc1ccc(nc1)N1C(O)c2ccccc2C1=O

BDBM43676

Cc1ccc(s1)C(=O)Nc1nc2ccccc2s1

BDBM43503

Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(Cc2ccccc2)CC1

BDBM50103646

Cc1ccc2c(C)nc(Nc3nc(=O)c(C)c(C)[nH]3)nc2c1

BDBM50103649

Cc1ccc2c(C)nc(Nc3nc(=O)cc(C)[nH]3)nc2c1

BDBM46393

Cc1ccc2c(C)nc(Nc3nc(CSc4nc5ccccc5[nH]4)cc(=O)[nH]3)nc2c1

BDBM67129

Cc1ccc2oc(=O)cc(CSc3nc(-c4ccccc4)c4ccccc4n3)c2c1

BDBM46368

Cc1cccc(C)c1NC(=O)N1CCN(CC1)c1nc2ccccc2s1

BDBM43649

Cc1cccc(NC(=O)c2cc(ccc2Cl)[N+]([O-])=O)c1O

BDBM43518

Cc1cccc(\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1

BDBM46398

Cc1cccc(c1)-c1nc2cc(NC(=O)C3CCCO3)ccc2o1

BDBM43596

Cc1cccc2\C(=C\C(=O)c3cccs3)C(=O)Nc12

BDBM43504

Cc1ccccc1-c1noc(N)c1C#N

BDBM43637

Cc1ccccc1C1N(CCc2c1[nH]c1ccccc21)C(=O)c1ccc(=O)n(C)n1

BDBM46362

Cc1ccccc1OCCCCn1cnc2ccccc12

BDBM39665

Cc1ccsc1\C=C1/CCc2ccccc2C1=O

BDBM46375

Cc1csc(NC(=O)c2cc3CCCCc3s2)n1

BDBM46345

Cc1nc(CNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cs1

BDBM43555

Cc1nc(NC(N)=Nc2ccccc2)nc2ccccc12 |w:7.7|

BDBM50103762

Cc1nc(NC2CCCCC2)nc2ccccc12

BDBM50103650

Cc1nc(NCCN2CCOCC2)nc2ccccc12

BDBM50103639

Cc1nc(NCCc2c[nH]c3ccccc23)nc2ccccc12

BDBM50103746

Cc1nc(NCc2ccc3OCOc3c2)nc2ccccc12

BDBM50103766

Cc1nc(NCc2cccc3ccccc23)nc2ccccc12

BDBM50103638

Cc1nc(NCc2ccccc2)nc2ccccc12

BDBM50103641

Cc1nc(Nc2ccccc2)nc2ccccc12

BDBM50103764

Cc1nc(Nc2ccccn2)nc2ccccc12

BDBM50103750

Cc1nc(Nc2nc(=O)c(C)c(C)[nH]2)nc2cc3OCOc3cc12

BDBM50103748

Cc1nc(Nc2nc(=O)c(Cc3ccccc3)c(C)[nH]2)nc2cc3OCOc3cc12

BDBM50103751

Cc1nc(Nc2nc(=O)cc([nH]2)-c2ccccc2)nc2cc3OCOc3cc12

BDBM43612

Cc1nc2c(C(=O)c3ccccc3C2=O)n1C1CCCCC1

BDBM43557

Cc1nc2ccccc2cc1O

BDBM46388

Cc1nc2ccccc2cc1OCc1ccc(F)cc1

BDBM46390

Cc1nc2ccccc2cc1OCc1ccccc1

BDBM37095

Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1

BDBM67120

Cc1nn(-c2ccc(cc2)C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2ccccc12

BDBM43564

Cc1nn(c(N)c1C(O)(CSc1nccn1C)C(F)(F)F)-c1ccc(Cl)cc1

BDBM46420

Cc1nn2cc(cnc2c1Br)-c1ncc(cc1Cl)C(F)(F)F

BDBM43611

Cc1nnc(NC(=O)c2oc3c(ccc4ccccc34)c2C)s1

BDBM43694

Cc1nnc(SCC(=O)Nc2ccc(cc2)-c2nc3ccccc3s2)s1

BDBM36974

Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C

BDBM43625

Cc1nonc1CC(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccc1F

BDBM46348

Clc1cc(NC(=O)c2cc3ccccc3o2)ccc1N1CCN(CC1)C(=O)c1ccco1

BDBM46337

Clc1ccc(CSc2nnc(Cn3cnc4ccccc34)o2)cc1

BDBM46387

Clc1ccc(OCc2cc(no2)-c2ccccc2)c(Cl)c1

BDBM43528

Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12

BDBM50189924

Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:8|

BDBM79531

Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc([nH]n1)-c1ccccc1 |t:8|

BDBM438765

Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:8|

BDBM50189922

Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:9|

BDBM50189923

Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:9|

BDBM50190103

Clc1ccc(cc1Cl)C1=Nn2c(SC1Cc1ccccc1)nnc2-c1[nH]nc2CCCc12 |t:9|

BDBM518397

Clc1ccc(cc1Cl)C1=Nn2c(SC1c1ccccc1)nnc2-c1[nH]nc2CCCc12 |t:9|

BDBM46399

Clc1ccc(cn1)C(=O)Nc1cccc(c1)S(=O)(=O)Nc1ccccc1Cl

BDBM37028

Clc1ccc(s1)-c1csc(NC(=O)c2ccncc2)n1

BDBM50189933

Clc1ccc(s1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:7|

BDBM50189934

Clc1ccc(s1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:7|

BDBM46383

Clc1ccc2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3)c2c1

BDBM32325

Clc1cccc(NC(=O)Nc2ccnc(n2)-c2cccnc2)c1

BDBM50189925

Clc1cccc(c1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:8|

BDBM50189926

Clc1cccc(c1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:8|

BDBM43641

Clc1cccc(c1)C1N(CCc2c1[nH]c1ccccc21)C(=O)CCN1CCOCC1

BDBM43606

Clc1ccccc1-c1nnc(NC(=O)c2nc3ccccc3s2)o1

BDBM46391

Clc1ccccc1C(=O)Oc1cccc(Nc2ncnc3ccccc23)c1

BDBM46371

Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc12

BDBM43584

Cn1c(CNc2ccccc2O)nc2ccccc12

BDBM43538

Cn1c(cc2c1c1ccccc1[nH]c2=O)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O

BDBM37177

Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCC(C1)C(=O)N1CCC(=CC1)c1ccccc1 |c:28|

BDBM43579

Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCC1CCCO1

BDBM43587

Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCCCN1CCCC1

BDBM43586

Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCCCN1CCOCC1

BDBM43591

Cn1nc(-c2ccc(Cl)cc2)c2cc(sc12)C(=O)NCCN1CCOCC1

BDBM38079

Cn1nnnc1Sc1ncnc2scc(-c3ccc(F)cc3)c12

BDBM67109

FC(F)(F)c1cc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2)c2ccccc2)ccc1Cl

BDBM46418

FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(nc1)N1CCOCC1

BDBM67114

Fc1ccc(NC(=O)C(N2CCN(CC2)C(=O)c2ccccc2)c2ccccc2)cc1

BDBM67113

Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccc(cc2)C#N)c2ccccc2)cc1

BDBM67105

Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccc3OCCOc3c2)c2ccccc2)cc1

BDBM67100

Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)cc1

BDBM67101

Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2)c2ccccc2)cc1

BDBM67115

Fc1ccc(NC(=O)C(N2CCN(CC2)S(=O)(=O)c2ccccc2C#N)c2ccccc2)cc1

BDBM67097

Fc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O

BDBM67133

Fc1ccc(cc1F)-c1csc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)n1

BDBM67132

Fc1ccccc1-c1csc(Cn2c(CN3CCOCC3)nc3ccccc3c2=O)n1

BDBM43623

Fc1ccccc1C1N(CCc2c1[nH]c1ccccc21)C(=O)Cc1cnc2ncnn2c1

BDBM46385

Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)n1

BDBM46378

Fc1ccccc1Cn1ccc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)n1

BDBM43723

Fc1ccccc1N=CCC(=O)c1ccc(Br)cc1 |w:7.7|

BDBM43688

N#C\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1

BDBM46428

NC(=O)C1CCN(CC1)c1ccc(cn1)S(=O)(=O)N1CCC(Cc2ccccc2)CC1

BDBM43551

NC(=O)CSc1c[nH]c2ccccc12

BDBM67118

NC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1

BDBM46379

NNC(=O)c1cccc(COc2ccccc2Br)c1

BDBM43654

NNc1ncnc2sc3CCCc3c12

BDBM46339

Nc1c(nsc1C(=O)OCC(=O)NC1CCCCC1)C(=O)NC1CCCCC1

BDBM46382

Nc1cc(nn1Cc1ccc(Cl)cc1)-c1ccccc1

BDBM46413

Nc1cc(nn1Cc1ccccc1)-c1ccc(Br)cc1

BDBM43657

Nc1ccccc1Sc1nc2ccccc2[nH]1

BDBM43652

Nc1nc(nn1C(=O)c1cccs1)-c1ccc(Cl)cc1

BDBM43548

Nc1nnc(Cc2c[nH]c3ccccc23)s1

BDBM43592

O=C(C1CCCN(C1)S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc12

BDBM43563

O=C(CCCSc1nc2ccccc2s1)NCc1ccco1

BDBM43635

O=C(CCc1nnc(Cc2ccc3OCOc3c2)o1)NCc1nc2ccccc2s1

BDBM43609

O=C(CN1CCNCC1)Nc1ccc(Oc2ccccc2)cc1

BDBM42690

O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc(cc1)S(=O)(=O)N1CCCC1

BDBM46412

O=C(COc1ccc2ccccc2c1)Nc1ccncc1

BDBM46376

O=C(CSc1ccc2ccccc2c1)Nc1ccncc1

BDBM41646

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

BDBM43656

O=C(Cc1c[nH]c2ccccc12)Nc1nnc(s1)C1CC1

BDBM40067

O=C(Cc1cccs1)Nc1ccccn1

BDBM43510

O=C(N1CCCC1)c1ccc2Sc3ccccc3C(=O)N(Cc3ccccc3)c2c1

BDBM67094

O=C(N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O)c1ccco1

BDBM67096

O=C(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O

BDBM67095

O=C(N1CCN(CC1)c1ccccc1)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O

BDBM43502

O=C(N1CCN(CC1)c1ncnc2c3ccccc3[nH]c12)c1ccco1

BDBM43594

O=C(N1CCc2ccccc12)c1cccnc1

BDBM46352

O=C(NC1CC1)c1cc2COc3ccccc3-c2s1

BDBM43544

O=C(NNC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc12)c1ccccc1

BDBM46343

O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(cc1)S(=O)(=O)N1CCOCC1

BDBM46359

O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(CC1)c1c2CCCc2nc2ncnn12

BDBM37218

O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2SCCn2c1=O

BDBM46408

O=C(Nc1ccncc1)c1ccc(cc1)-c1ccccc1

BDBM46361

O=C(Nc1ccncc1)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1

BDBM43617

O=C(Nc1nc2cccc3cccc([nH]1)c23)c1ccccc1

BDBM68331

O=C(Nc1nc2ccccc2s1)c1cc2ccccc2s1

BDBM36863

O=C(Nc1nccs1)c1ccc(cc1)S(=O)(=O)NCC1CCCCC1

BDBM67131

O=C(OCC1CCCCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12

BDBM46346

O=C1CCCN1c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1ccccc1

BDBM43620

O=C1Nc2ccccc2\C1=C(\C#N)c1nc2ccccc2s1

BDBM46338

O=S(=O)(N1CCC(CC1)c1nc2ccccc2s1)c1ccc2OCCOc2c1

BDBM43553

O=c1n(Cc2ccco2)cnc2ccccc12

BDBM67135

O=c1n(Cc2nc(cs2)-c2ccc[nH]2)c(CN2CCOCC2)nc2ccccc12

BDBM43650

OC(=O)C(Cc1c[nH]c2ccccc12)N1Cc2ccccc2C1=O

BDBM43573

OC(=O)C1CC=CCC1C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCc2ccccc12 |c:5|

BDBM43545

OC(=O)Cn1cc(C#N)c2ccccc12

BDBM50440926

OC(=O)c1ccc(cc1O)N(Cc1ccc(cc1)C1CCCCC1)C(=O)CN(Cc1ccccc1C(F)(F)F)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F

BDBM67104

OC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12

BDBM46380

Oc1c2CCCCc2c(O)n1-c1ccccc1OC(=O)c1ccccc1 |(7.68,5.35,;7.2,3.89,;5.75,3.42,;4.41,4.19,;3.08,3.42,;3.08,1.88,;4.41,1.11,;5.75,1.88,;7.2,1.41,;7.68,-.05,;8.1,2.65,;9.64,2.65,;10.41,3.98,;11.95,3.98,;12.72,2.65,;11.95,1.32,;10.41,1.32,;9.64,-.02,;10.41,-1.35,;11.95,-1.35,;9.64,-2.69,;10.41,-4.02,;9.64,-5.35,;8.1,-5.35,;7.33,-4.02,;8.1,-2.69,)|

BDBM50070942

Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 |r|

BDBM46395

Oc1ccc(-c2n[nH]c(=S)n2-c2ccc3OCCOc3c2)c(O)c1

BDBM43526

Oc1ccc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(O)c1

BDBM43645

Oc1ccc(Cl)cc1NC(=O)COc1ccccc1Cl

BDBM43527

Oc1ccc2c(CSc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1

BDBM46396

Oc1cccc(NC(=O)C(=O)Nc2ccccn2)c1

BDBM46363

Oc1cccc(NC(=O)c2noc-3c2CCc2ccccc-32)c1

BDBM42583

Oc1cccc2c1sc1nc3CCCCCn3c(=O)c21

BDBM43644

Oc1ccccc1NC(=O)c1csc2CCCCc12

BDBM43517

[#6]-[#6]-[#7]-1-[#6](=S)-[#7](-[#6]-[#6])-[#6](=O)\[#6](=[#6]/[#7]-[#7]-[#6](=O)-c2ccncc2)-[#6]-1=O

BDBM43543

[#6]-c1ccccc1-[#7]-[#6](=O)-[#6](=[#6]/c1ccc(cc1)-[#6](-[#8])=O)\[#6](=O)-[#7]-c1ccccc1-[#6]

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|

BDBM50448068

[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#6@H](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6][C@@]2([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#6](-[#6](=O)-c3ccc(-[#8])c(-[#8])c3)-[#6](=O)[C@]1([#6]\[#6]=[#6](\[#6])-[#6])[#6]2=O |r,TLB:43:42:23.21.34:6.14.8|

BDBM50448069

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#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 |r,TLB:43:42:12.11.18:40.29.27|

BDBM46357

[H]C12C3C(c4nc5ccccc5n4C3=O)C([H])(c3ccccc13)c1ccccc21 |TLB:4:3:23.28:17.22,24:23:3.2:17.22,18:17:3.2:23.28,THB:21:22:3.2:23.28,27:28:3.2:17.22,13:2:23.28:17.22,(11.64,.48,;11.63,1.41,;7.91,-.24,;8.66,-1.54,;7.66,-2.64,;7.5,-4.11,;6.05,-4.41,;5.3,-5.76,;3.76,-5.77,;2.99,-4.44,;3.77,-3.11,;5.31,-3.13,;6.3,-2.03,;6.45,-.55,;5.34,.45,;11.25,-.04,;11.31,-.97,;13.99,-1.18,;15.07,-2.29,;16.58,-1.9,;16.98,-.4,;15.87,.7,;14.37,.27,;9.78,2.67,;8.42,3.43,;8.41,4.99,;9.76,5.77,;11.1,4.98,;11.08,3.42,)|

BDBM67137

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1csc(Cn2c(CN3CCN(C)CC3)nc3ccccc3c2=O)n1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|

BDBM50016098

[H][C@@]12[C@H](OC(=O)CCCCC)C=C3COC(=O)C3(O)[C@@]1(C)CCCC2(C)C |r,t:11|

BDBM50016099

[H][C@@]12[C@H](OC(=O)CCCCC)C=C3COC(=O)[C@]3(O)[C@@]1(C)[C@H](O)CCC2(C)C |r,t:11|

BDBM46372

[H][C@]12C(C(=O)n3c1nc1ccccc31)C1([H])c3ccccc3C2([H])c2ccccc12 |wU:1.0,TLB:3:2:21.16:24.29,20:21:1.2:24.29,25:24:1.2:21.16,THB:28:29:1.2:21.16,17:16:1.2:24.29,6:1:21.16:24.29,(9.29,-2.64,;8.66,-1.54,;7.91,-.24,;6.45,-.55,;5.34,.45,;6.3,-2.03,;7.66,-2.64,;7.5,-4.11,;6.05,-4.41,;5.3,-5.76,;3.76,-5.77,;2.99,-4.44,;3.77,-3.11,;5.31,-3.13,;11.63,1.41,;11.64,.48,;11.08,3.42,;11.1,4.98,;9.76,5.77,;8.41,4.99,;8.42,3.43,;9.78,2.67,;11.25,-.04,;11.31,-.97,;13.99,-1.18,;15.07,-2.29,;16.58,-1.9,;16.98,-.4,;15.87,.7,;14.37,.27,)|

BDBM50557878

[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)NC(=O)c1cc2cc(ccc2[nH]1)C(=O)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|

BDBM50514302

[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CCCCCC#Cc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O)NC(=O)c1cc2cc(ccc2[nH]1)C(F)(F)P(O)(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|

BDBM50207367

[H][C@]12O[C@@]11[C@]([H])(C[C@]34CC[C@H](C(C)C)[C@@]3(C)C(=O)C[C@]14C)[C@H](C)C2=O |r|

BDBM50207368

[H][C@]12O[C@@]11[C@]([H])(C[C@]34CC[C@H](C(C)C)[C@@]3(C)C(=O)[C@H](O)[C@]14C)[C@H](C)C2=O |r|

BDBM50207366

[H][C@]12O[C@@]11[C@]([H])(C[C@]34CC[C@H](C=C)[C@@]3(C)C(=O)C[C@]14C)[C@H](C)[C@H]2O |r|

BDBM50207369

[H][C@]12O[C@@]11[C@]([H])(C[C@]34CC[C@H](C=C)[C@@]3(C)[C@@H](O)C[C@]14C)[C@H](C)C2=O |r|

BDBM50240455

[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(NC(=O)c2cc(NC(=O)Nc3cc(cc(c3)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)C(=O)Nc3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)cc(c2)C(=O)Nc2ccc(cc2S([O-])(=O)=O)S([O-])(=O)=O)c(c1)S([O-])(=O)=O

BDBM50118228

[O-]S(=O)(=O)c1cc(c2c(NC(=O)c3cccc(NC(=O)Nc4cccc(c4)C(=O)Nc4ccc(c5cc(cc(c45)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c3)ccc(c2c1)S([O-])(=O)=O)S([O-])(=O)=O

BDBM43624

[O-][n+]1ccc(cc1)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccc1Cl

BDBM50396176

c1cc2nc1cc1ccc([nH]1)c(-c1ccccc1)c1ccc(cc3ccc(n3)c2-c2ccccc2)[nH]1