SMILES for Neutrophil cytosol factor 1 [S99G]

C=CCNC(=S)N1CCN(CCNC=C2C(=O)CC(CC2=O)c2ccco2)CC1 |(3.08,-11.13,;3.08,-9.59,;4.41,-8.82,;4.41,-7.28,;5.75,-6.51,;7.08,-7.28,;5.75,-4.97,;7.08,-4.2,;7.08,-2.66,;5.75,-1.89,;5.75,-.35,;7.08,.42,;7.08,1.96,;8.41,2.73,;8.41,4.27,;7.08,5.04,;5.75,4.27,;7.08,6.58,;8.41,7.35,;9.75,6.58,;9.75,5.04,;11.08,4.27,;9.18,8.69,;8.56,10.1,;9.7,11.13,;11.04,10.36,;10.72,8.85,;4.41,-2.66,;4.41,-4.2,)|

BDBM48626

C=CCn1c(n[nH]c1=S)-c1ccco1

BDBM55599

C=CCn1cc(C=NNC(=O)COc2cccc3cccnc23)c2ccccc12

BDBM55188

CC#CCN(CC#CC)S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCOCC1

BDBM55467

CC(=C)C1CC=C(C)C(C1)=NNC(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 |w:10.11,t:5|

BDBM49488

CC(=N)C(C#N)C(=O)CSc1nnc(o1)-c1ccc2OCOc2c1

BDBM55752

CC(=NNC(=O)COc1ccc(C)cc1Br)c1cc(cs1)[N+]([O-])=O |w:2.2|

BDBM55414

CC(=NNC(=O)c1[nH]c2c(cc(C)cc2c1-c1ccccc1)[N+]([O-])=O)c1cccnc1 |w:2.2|

BDBM49970

CC(=NNC(=O)c1ccc(Cl)cc1)c1cccs1 |w:2.2|

BDBM55558

CC(=NNC(=O)c1ccc2OCOc2c1)c1ccc(NC(=O)C(F)(F)F)cc1 |w:2.2|

BDBM55471

CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 |w:2.2|

BDBM55816

CC(=NOCC(=O)Nn1c(=O)[nH]c2ccccc2c1=O)c1cccs1 |w:2.2|

BDBM55364

CC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1

BDBM55280

CC(=O)N1C(=O)C2(C(C#N)C(=N)Oc3[nH]nc(c23)-c2ccccn2)c2ccccc12

BDBM55807

CC(=O)N1CC(=O)N(Cc2ccccc2)\C(=C\c2ccccc2)C1=O

BDBM55935

CC(=O)N1Cc2c(C)c3c([nH]c4ccccc34)c(C)c2C=C1 |c:23|

BDBM55514

CC(=O)Nc1cc(ccc1C)C(=O)OC(C(=O)c1ccccc1)c1ccccc1

BDBM48787

CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(c1)-c1cnc2ccccc2n1

BDBM55263

CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)NC(=O)NC1CCCCC1

BDBM55813

CC(=O)Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1

BDBM55296

CC(=O)OCc1cc(=O)n(C)c(=O)n1C

BDBM55733

CC(=O)c1c(C)n(Cc2ccccc2Cl)c2ccc(O)cc12

BDBM55640

CC(=O)c1ccc(cc1)N1Cc2ccccc2C1=NC(=O)c1cccs1 |w:18.21|

BDBM55482

CC(C(=O)Oc1ccc(C)cc1)c1cccc(c1)C(=O)c1ccccc1

BDBM55242

CC(C(=O)c1ccccc1)n1c(nc2n(C)c(=O)n(C)c(=O)c12)N1CCOCC1

BDBM55212

CC(C)(C)NC(=O)COc1ccc(CNn2nnnc2N)cc1

BDBM55241

CC(C)(C)NC(=O)c1ccccc1-c1nc(no1)-c1ccccc1Cl

BDBM50088

CC(C)(C)c1ccc(CN2N=Nc3ccccc3S2(=O)=O)cc1 |c:10|

BDBM55477

CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1

BDBM55372

CC(C)(C)c1ccc(cc1)C(=O)N1CCNCC1

BDBM55636

CC(C)(C)c1ccc(cc1)C(=O)NNC(=O)C1CCCCC1

BDBM34886

CC(C)(O)C1Cc2cc(\C=C\C(O)=O)c(O)cc2O1

BDBM38840

CC(C)C(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)NCc1ccco1

BDBM55768

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

BDBM55873

CC(C)CC(=O)Nc1ccc2ccccc2c1

BDBM55649

CC(C)CCN1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(cc1)S(=O)(=O)NC(C)=O

BDBM55740

CC(C)CCN1CCN(CC1CCO)C1CSCCSC1

BDBM55511

CC(C)CNc1cc(ccc1[N+]([O-])=O)N1CCCC1

BDBM55401

CC(C)CNc1nc(Oc2ccc(=O)[nH]n2)nc(n1)N(C)C

BDBM55677

CC(C)Cc1cc(CN2CCC(CO)(Cc3cccc(c3)C(F)(F)F)CC2)n[nH]1

BDBM55230

CC(C)Cc1ccc(s1)C(N=O)C(O)=O

BDBM55445

CC(C)Cn1c(SCC(=O)Nc2ccc3OCOc3c2)nc2ccccc12

BDBM55661

CC(C)N(C)CCOC(=O)\C=C\c1ccccc1

BDBM55198

CC(C)N1CC(=Cc2cccnc2)C2=C(C1)C(C(C#N)C(=N)O2)c1cccnc1 |w:6.6,c:14|

BDBM55316

CC(C)OC(=O)c1[nH]c2CCCC(=O)c2c1C

BDBM55928

CC(C)OC(=O)c1cccc2-c3ccccc3C(=O)c12

BDBM34694

CC(C)OP(=O)(OC(C)C)C1(NS(=O)(=O)c2ccccc2)C=C(Br)C(=O)c2ccccc12 |t:22|

BDBM30998

CC(C)Oc1ccc(cc1)C(=O)Nc1ccc(cc1)N1CCCC1

BDBM55244

CC(C)[C@H](NC(=O)C1(CCN(CC1)C(=O)OC(C)(C)C)c1ccccc1)C(O)=O

BDBM37147

CC(C)c1ccc(C)cc1OCc1nc(no1)-c1nonc1N

BDBM47982

CC(C)c1ccc(NC(=O)c2coc(=O)c(Br)c2)cc1C

BDBM55352

CC(C)c1ccc(OC(=O)NCCO)cc1

BDBM55440

CC(C)c1ccc(\C=C2/CC\C(=C/C=NN(C)C)C2=O)cc1

BDBM55457

CC(C)c1nc(C)cc(OCC(=O)Nc2ccc(F)c(F)c2)n1

BDBM55466

CC(C)c1nc2cccc3cccc([nH]1)c23

BDBM55921

CC(C)n1c(=O)[nH][nH]c1=S

BDBM55302

CC(C)n1c(nc2ccccc12)C(O)c1ccc(C)cc1

BDBM55615

CC(C)n1cc(C=NNC(=O)COc2cccc3cccnc23)c2ccccc12

BDBM55701

CC(CNS(=O)(=O)c1ccc(Br)cc1)CN(C)C

BDBM47618

CC(N=Nc1ccc(cc1[N+]([O-])=O)S(N)(=O)=O)c1ccc2OCOc2c1 |w:3.3|

BDBM55775

CC(NC(=O)Cn1cccc1C(=O)c1ccccc1)c1ccc2OCCOc2c1

BDBM55499

CC(Oc1ccc(c(F)c1)-c1ccccc1)c1ccn(n1)S(=O)(=O)c1cccc2ccccc12

BDBM55310

CC1(C)C2(C)CCC1(OC2=O)C(=O)N1CCN(Cc2ccccc2)CC1 |TLB:10:9:1:5.6|

BDBM55416

CC1(C)CC(=O)C2C(c3ccc4OCOc4c3)c3cc4OCOc4cc3N=C2C1 |c:30|

BDBM55868

CC1(C)Cc2c(C#N)c(NC(=O)COc3cccc4ccccc34)sc2C(C)(C)N1

BDBM55455

CC1(C)N(C(=O)COC(=O)C2CCCCC2)c2ccccc2NC1=O

BDBM55183

CC1(C)NC(=O)N(CC(O)COC2CCCCC2)C1=O

BDBM55907

CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(N(CCCCO)C=C2C1=O)c1ccsc1 |c:15,23,t:13|

BDBM55908

CC1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(N(CCc3ccccn3)C=C2C1=O)c1ccc(cc1)C#N |c:18,30,t:16|

BDBM55734

CC1=C(C#N)C(=O)NC(=O)C1=NNc1cccc(C)c1 |w:11.12,c:1|

BDBM34657

CC1=CC(C=CC1=O)=NOS(=O)(=O)c1ccccc1 |w:8.9,c:4,t:1|

BDBM55718

CC1=NN(C(=O)c2ccc(Br)cc2)C(O)(C1)c1ccccc1 |t:1|

BDBM55693

CC1=NOC(=O)\C1=C/c1ccc(o1)-c1ccc(Br)cc1 |t:1|

BDBM55365

CC1CC(C)CN(CC(=O)Nc2ccc3OCCOc3c2)C1

BDBM55189

CC1CCCC(C)N1C(=O)CSc1nnc2cc(C)nc(N)n12

BDBM55845

CC1CCCC(NC(=O)COC(=O)c2ccccc2[N+]([O-])=O)C1C

BDBM55235

CC1CCCCN1C(=O)C12CCC(C)(C(C1)N=O)C2(C)C |THB:16:14:18:10.11|

BDBM55596

CC1CCCN(C1)C1=C(NS(=O)(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:8|

BDBM55732

CC1CCCN(CCCOc2ccccc2-c2ccccc2)C1

BDBM55478

CC1CCN(CC(=O)Nc2cc(ccc2C)[N+]([O-])=O)CC1

BDBM47847

CC1CCc2cc(F)ccc2N1CC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1

BDBM55299

CC1CN(CC(C)O1)c1nc(nc2c(C)cc(C)cc12)C(F)(F)F

BDBM55793

CC1Cc2ccccc2N1C(=O)C(=O)c1c(C)n(C)c2ccccc12

BDBM55260

CC1Cc2ccccc2N1C(=O)CSc1nc(C)cc(=O)[nH]1

BDBM55678

CC1Cc2ccccc2N1C(=O)c1ccc(C)o1

BDBM55271

CC1Cc2nc(SCC(=O)N3CCc4ccccc34)n(C)c(=O)c2S1

BDBM55483

CCC(=O)N1CC2(CC1C(=O)NCC(N)=O)C[C+]([N-]O2)c1cccc(c1)[N+]([O-])=O

BDBM55745

CCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O

BDBM47823

CCC(=O)NC1=C(Cl)C(=O)C(NC(=O)CC)=C(Cl)C1=O |c:5,t:15|

BDBM55348

CCC(=O)Nc1nc2ccccc2n1CCN1CCOCC1

BDBM54364

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

BDBM55257

CCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NCc1ccco1

BDBM50263

CCC(C)N1C(=S)NC(=O)\C(=C/c2ccc3N(CCCCl)CCc3c2)C1=O

BDBM55515

CCC(C)N1C(=S)NC(=O)\C(=C\c2cc3CCCN4CCCc(c2)c34)C1=O

BDBM55581

CCC(C)N1C(=S)NC(=O)\C(=C\c2ccc(cc2)N2CCCCCC2)C1=O

BDBM55407

CCC(C)N1CC(CC1=O)C(O)=O

BDBM55777

CCC(C)NC(=O)CSc1nc2cc3OCOc3cc2c(=O)n1Cc1ccco1

BDBM55825

CCC(C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N

BDBM33524

CCC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1cccc(C)c1

BDBM51187

CCC1=NN2C(S1)=NC(=O)\C(=C\c1cccn1-c1ccc(Br)cc1)C2=N |c:7,t:2|

BDBM55346

CCC1CC(C)(OC1=O)C(=O)Nc1ccc(cc1)S(N)(=O)=O

BDBM55335

CCCC(=O)Nc1cc(=O)n(C)c(=O)n1C

BDBM48708

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

BDBM48733

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

BDBM48845

CCCCCCCCCCCCCCCCn1cc[n+](C)c1

BDBM48773

CCCCCCCCCCCCCCCCn1cc[n+](CC(C)=O)c1

BDBM55756

CCCCCCCCCCCCOCn1c[n+](C)c2ccccc12

BDBM53974

CCCCCCCCCC[n+]1cccc2c1ccc1ccccc21

BDBM55861

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

BDBM55899

CCCCCCNC(=O)N[C@@H](C(C)O)C(=O)NCCC[C@H]1CN2[C@H](C)CN=C2N1CCC(c1ccccc1)c1ccccc1 |c:26|

BDBM55900

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

BDBM55901

CCCCCCNC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCC[C@H]1CN2[C@H](CCC)CN=C2N1CC1CCC1 |c:34|

BDBM51841

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

BDBM55222

CCCCCOC(=O)CSc1nnc(o1)-c1cc(OC)c(OC)c(OC)c1

BDBM51893

CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc4OCOc4c3)c(OC)cc(OC)c12

BDBM55784

CCCCCc1ccc(OCCOCCn2c[n+](C)c3ccccc23)c(CCCCC)c1

BDBM51096

CCCCCn1c(N)c(-c2nc3ccccc3o2)c2c(nn(C)c(=O)c12)[N+]([O-])=O

BDBM55778

CCCCN(C)C(=S)Nc1ccsc1C(=O)OC

BDBM55789

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

BDBM55769

CCCCN1C(=S)S\C(=C/C=C2\SCCN2C)C1=O

BDBM55780

CCCCNC(=O)CSc1nc2ccsc2c(=O)n1CCCC(=O)NCCc1ccc(cc1)S(N)(=O)=O

BDBM55422

CCCCNC(=O)Cn1c2CCCc2c(cc1=O)-c1ccccc1Cl

BDBM55799

CCCCNC(=O)NC1(CCCCC1)C#C

BDBM55227

CCCCNC(=O)c1cc2NC(CC(n2n1)C(F)(F)F)c1ccccc1

BDBM55774

CCCCOC(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1

BDBM55314

CCCCOc1ccc(cc1)C(=O)NCc1ccccn1

BDBM55357

CCCCSc1cnn(-c2ccccc2)c(=O)c1SCCCC

BDBM55536

CCCC[N-]c1c2NC3(CCCCC3)[N+](=O)c2ccc1[N+]([O-])=O

BDBM55551

CCCCc1c(C)nc2c(OC)cccc2c1SCCC(O)=O

BDBM55267

CCCN(CCC)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc2OCOc2c1

BDBM55538

CCCN1C(=S)SC(C1=O)=c1sc(=C2C=Cc3ccccc3N2CC)c(=O)n1-c1ccccc1 |c:15|

BDBM51838

CCCN1C(=S)S\C(=C\C=C2/Sc3ccccc3N2CC)C1=O

BDBM55592

CCCN1CCCc2cc(\C=C3/C(=O)NC(=S)N(CC=C)C3=O)ccc12

BDBM55402

CCCNS(=O)(=O)c1ccc(OC)c(Cl)c1Cl

BDBM55256

CCCOc1ccc(NC(N)=O)cc1OCCC

BDBM55220

CCCSc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1ccc(C)cc1

BDBM55246

CCCc1cc(=O)n2[nH]cnc2n1

BDBM51617

CCCc1cc(=O)n2c([nH]c3ccccc23)c1C#N

BDBM55399

CCCc1cc(=O)oc2cc(C)cc(O)c12

BDBM50765

CCCn1c(=O)c(sc1=C(C#N)C#N)=C1C=Cc2ccccc2N1CC |w:14.25,c:16,(3.08,2.52,;4.61,2.36,;5.24,.95,;6.77,.79,;7.8,1.93,;7.48,3.44,;9.21,1.31,;9.05,-.22,;7.54,-.54,;6.91,-1.95,;5.38,-2.11,;3.85,-2.27,;7.82,-3.2,;8.72,-4.44,;10.54,2.08,;10.54,3.62,;11.87,4.39,;13.21,3.62,;14.58,4.44,;15.98,3.65,;15.98,2.05,;14.58,1.26,;13.21,2.08,;11.87,1.31,;11.87,-.23,;13.21,-1,)|

BDBM55226

CCCn1c2ccccc2c(O)c(C(=O)Nc2ccccc2C(=O)OC)c1=O

BDBM55450

CCN(C(=O)c1ccc(NC(C)=O)cc1)c1ccccc1

BDBM55844

CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(c1)C(C)=O

BDBM33200

CCN(CC)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccco1

BDBM41027

CCN(CC)C(=O)CSc1nc(N)c2c3CCC(C)Cc3sc2n1

BDBM52824

CCN(CC)C(=O)c1ccc2NC(C3CC(Sc4ccccc4[N+]([O-])=O)C(Cl)C3c2c1)C(O)=O

BDBM55433

CCN(CC)CC(=O)c1c[nH]c2ccc(OC)cc12

BDBM55858

CCN(CC)CCCN=Cc1c(O)n(-c2ccc(C)cc2)c(=O)c2ccccc12 |w:8.7|

BDBM55354

CCN(CC)CCOc1ccc(cc1)C(=C(\Cl)c1ccccc1)\c1ccccc1

BDBM50564

CCN(CC)Cc1cc(O)c(CN(CC)CC)cc1O

BDBM40323

CCN(CC)P(=O)(NC(=O)C(Cl)(Cl)Cl)N(CC)CC

BDBM55608

CCN(CC)S(=O)(=O)c1cc(NC(=O)CSc2nnc(o2)-c2cccs2)ccc1C

BDBM55454

CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)N[C@@H](C(C)C)C(O)=O

BDBM55639

CCN(CC)c1ccc(NC(=O)Cn2c(nc3ccccc23)C(C)NC(=O)c2ccccc2)cc1

BDBM33107

CCN(CC)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:10|

BDBM55577

CCN(CC)c1ccc(\C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1

BDBM55631

CCN(CC)c1ccc(\C=C2/CCC(\C=C(/C#N)C(=O)Nc3ccccc3F)=C2N2CCOCC2)cc1 |c:28|

BDBM55616

CCN(CC)c1ccc(\C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1

BDBM55202

CCN1C(=O)C2C(NC(C)(C2C1=O)C(=O)OC)c1ccc(O)c(OC)c1

BDBM50080

CCN1CCCc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccc(CC)cc3)ccc12

BDBM49152

CCN1CCN(CC1)C(c1cccnc1)c1cc(Cl)c2cccnc2c1O

BDBM55707

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

BDBM55818

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

BDBM51830

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

BDBM48807

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

BDBM55708

CCN1CCN(CCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4ccccc4C)C3=O)cc2)CC1

BDBM48784

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

BDBM51890

CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)C(=O)c4c[nH]c5ccccc45)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

BDBM55931

CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc5cccc(OC)c5o4)cc(OC)c3)cc2C(F)(F)F)CC1

BDBM55930

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

BDBM51933

CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)C(=O)c4c[nH]c5ccccc45)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

BDBM34775

CCN1c2ccccc2N(C)C1(C)c1ccccc1

BDBM55782

CCNC(=S)N1CCn2cccc2C1c1ccc(F)cc1

BDBM55344

CCNC(Sc1cc(O)n(c1O)-c1ccccc1F)=Nc1ccc2OCOc2c1 |w:19.21,(11.45,-3.07,;11.45,-1.53,;12.78,-.76,;12.78,.78,;11.45,1.55,;10.11,.78,;9.95,-.75,;8.44,-1.07,;7.82,-2.48,;7.67,.26,;8.71,1.4,;8.39,2.91,;6.14,.42,;5.24,-.83,;3.71,-.66,;3.08,.74,;3.99,1.99,;5.52,1.83,;6.42,3.07,;14.11,1.55,;15.45,.78,;15.45,-.76,;16.78,-1.53,;18.11,-.76,;19.57,-1.23,;20.47,.01,;19.57,1.25,;18.11,.78,;16.78,1.55,)|

BDBM55496

CCOC(=O)C(=C/N(C)C)\C#N

BDBM55792

CCOC(=O)C(=C\C=C1/C=Cc2ccccc2N1CC)\C#N |c:9|

BDBM34825

CCOC(=O)C(C)C1=NC(C)(C)Cc2ccccc12 |t:7|

BDBM55927

CCOC(=O)C(C=Nc1ccc(Oc2cccnc2)nc1)C(=O)OCC |w:7.7|

BDBM50159

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

BDBM33083

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

BDBM55320

CCOC(=O)C1C(CC(C)SCC)CC(=O)CC1=O

BDBM51886

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

BDBM51875

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

BDBM55531

CCOC(=O)C1C(NC(=O)N=C1COc1ccc(C)cc1)c1cc(C)ccc1C |c:10|

BDBM55922

CCOC(=O)C1CCN(CC1)C(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM55674

CCOC(=O)C1CCN(CC1)C(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1

BDBM55237

CCOC(=O)C1CCN(CC1)c1ncnc2c3cc(Br)ccc3oc12

BDBM55358

CCOC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(C)CC1

BDBM55541

CCOC(=O)CCc1c(C)c2ccc(OCc3cc(ccc3OC)[N+]([O-])=O)c(C)c2oc1=O

BDBM38130

CCOC(=O)CCn1n(-c2ccccc2)c(=O)c2c(C)cc(C)nc12

BDBM55811

CCOC(=O)COc1cc(c(Cl)cc1Cl)-n1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O |(3.08,-6.95,;4.41,-6.18,;4.41,-4.64,;5.75,-3.87,;7.08,-4.64,;5.75,-2.33,;7.08,-1.56,;7.08,-.02,;8.41,.75,;8.41,2.29,;7.08,3.06,;7.08,4.6,;5.75,2.29,;5.75,.75,;4.41,-.02,;9.75,3.06,;9.75,4.6,;8.41,5.37,;11.08,5.37,;12.42,4.6,;13.79,5.42,;15.19,4.63,;16.52,5.41,;16.51,6.95,;15.19,3.03,;16.52,2.25,;16.51,.71,;13.79,2.24,;12.42,3.06,;11.08,2.29,;11.08,.75,)|

BDBM33760

CCOC(=O)CSc1nnc(NC(=O)c2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)s1

BDBM55277

CCOC(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)NCCc1ccc(OCC)c(OCC)c1

BDBM55390

CCOC(=O)Cn1c2ccccc2nc(-c2ccccc2NC)c1=O

BDBM55385

CCOC(=O)Cn1c2ccccc2ncc1=O

BDBM55417

CCOC(=O)N1CCC(CC1)NC(=O)c1ccc2nc3ccccc3c(=O)n2c1

BDBM41598

CCOC(=O)N1CCN(CC1)C(=O)CSCC(=O)Nc1nc(cs1)-c1ccc(cc1)-c1ccccc1

BDBM41337

CCOC(=O)N1CCN(CC1)C(=O)c1ccccc1CCc1ccccc1

BDBM55918

CCOC(=O)N1CCc2c(C1)sc1nc3SCC(=Nn3c(=O)c21)c1ccc(OC)cc1 |c:18|

BDBM55359

CCOC(=O)NC(CC(O)=O)c1ccc(OC)c(OC)c1

BDBM55452

CCOC(=O)Nc1ccc(C)cc1C

BDBM55272

CCOC(=O)Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1

BDBM51828

CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CN3CCN(C)CC3)cc12

BDBM55480

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

BDBM34962

CCOC(=O)c1c(C)oc2c1c(CN1CCN(CCO)CC1)c(O)c1ccccc21

BDBM48713

CCOC(=O)c1c(CSC(N)=N)n(-c2ccc(Br)cc2)c2cc(Br)c(OC(C)=O)cc12

BDBM44965

CCOC(=O)c1c(CSC(N)=N)n(-c2ccc(C)cc2)c2cc(Br)c(OC(C)=O)cc12

BDBM55610

CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(OCC(O)CNC(CO)(CO)CO)cc12

BDBM55350

CCOC(=O)c1c(O)csc1Nc1ccc(Cl)cc1

BDBM55418

CCOC(=O)c1c2CCCn2c2ccc(OC(C)=O)cc12

BDBM55331

CCOC(=O)c1ccc(NC(=O)CSc2nnc(Cn3c4ccccc4sc3=O)n2C)cc1

BDBM55699

CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)cn2)cc1

BDBM55537

CCOC(=O)c1ccc(cc1)-c1ccc(C=NNC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)o1

BDBM55748

CCOC(=O)c1ccc(cc1)-n1c(O)cc(Nc2ccc(O)cc2)c1O

BDBM55763

CCOC(=O)c1ccc2[nH]c3C(O)CCCc3c2c1

BDBM55307

CCOC(=O)c1cccc(c1)N1C(=O)c2ccccc2S1(=O)=O

BDBM55254

CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCOCC1

BDBM55426

CCOC(=O)c1cnc(SC)nc1N

BDBM55379

CCOC(=O)c1cnc2ccc(C)cc2c1NCCO

BDBM55714

CCOC(=O)c1cnc2ccc(cc2c1Nc1cccc(c1)C(O)=O)C(=O)OC

BDBM55472

CCOC(=O)c1nc2cc3C(C)=C(C)C(C)n3c(C)c2c1C |t:11|

BDBM41477

CCOC(=O)c1oc2cccc(O)c2c1CN(Cc1ccccc1)C(C)=O

BDBM55848

CCOC(=O)c1sc(N)c(C(N)=O)c1C

BDBM55850

CCO[C@@H]1OC(=C[C@H](C)[C@H]1CCCO)C(=O)NCc1nc2ccccc2[nH]1 |c:5|

BDBM55757

CCOc1cc(C=NNC(=O)Nc2ccccc2)ccc1O |w:7.7|

BDBM55518

CCOc1cc(CNCCc2ccc(cc2)S(N)(=O)=O)cc(Cl)c1OCc1ccccc1

BDBM39978

CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(nc2ccccc12)-c1ccco1

BDBM52745

CCOc1cc(N2CCOCC2)c(OCC)cc1NC(C)C(=O)N1CCN(CC)CC1

BDBM39547

CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(Cl)s1

BDBM55192

CCOc1cc(NC(=O)C2CCCO2)c(OCC)cc1NC(C)=O

BDBM55185

CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)COc1ccccc1

BDBM55557

CCOc1cc(\C=C2/C(=O)N(CCc3ccc(OC)c(OC)c3)C(C)=C2C(=O)OC)ccc1O |c:25|

BDBM55474

CCOc1cc2[nH]c(=S)n(CCC(=O)NCc3ccc(OC)cc3)c(=O)c2cc1OCC

BDBM55270

CCOc1ccc(CCNS(=O)(=O)c2c[nH]cn2)cc1OCC

BDBM50991

CCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc23)cc1

BDBM55508

CCOc1ccc(N=CCC(=O)c2ccc(C)cc2)c(c1)[N+]([O-])=O |w:7.6|

BDBM55522

CCOc1ccc(N=CCC(=O)c2ccccc2)c(c1)[N+]([O-])=O |w:7.6|

BDBM55535

CCOc1ccc(NC(=O)Cn2cncc2-c2ccc(cc2)[N+]([O-])=O)cc1

BDBM55776

CCOc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1

BDBM55645

CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cn4C(C)COc5c(N6CCN(C)CC6)c(F)cc(c45)c3=O)cc2)cc1

BDBM55803

CCOc1ccc(NC(c2ccccn2)c2oc(CO)cc(=O)c2O)cc1

BDBM55886

CCOc1ccc(Nc2nc(N)nc(CSC(=S)N3CCOCC3)n2)cc1

BDBM55322

CCOc1ccc(OCC)c2sc(C)nc12

BDBM39117

CCOc1ccc(cc1)-c1cc(CCCC(=O)NCc2ccco2)no1

BDBM55783

CCOc1ccc(cc1)-n1c(N)c2c(C)nnc2nc1SCC(=O)Nc1ccc(Br)cc1

BDBM55601

CCOc1ccc(cc1)-n1c(SCC(=O)N2CCc3ccccc23)nnc1-c1c[nH]c2ccccc12

BDBM55295

CCOc1ccc(cc1)-n1c(SCC=C)nnc1-c1ccncc1

BDBM55665

CCOc1ccc(cc1)-n1nc2c(c1C)c(C)n[nH]c2=O

BDBM50308030

CCOc1ccc(cc1)C(Nc1cccnc1)c1cc(Cl)c2cccnc2c1O

BDBM55870

CCOc1ccc(cc1)C1CC(N=N1)C1C(=O)N(C)C(=O)N(C)C1=O |c:13|

BDBM55333

CCOc1ccc(cc1)N(CC(=O)N1CCN(CC1)c1ccccc1)S(=O)(=O)c1c(C)noc1C

BDBM55843

CCOc1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)OCC(=O)N(CC)C1CCS(=O)(=O)C1

BDBM34523

CCOc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccccc1Cl |c:13|

BDBM43856

CCOc1ccc(cc1)S(=O)(=O)NN=C1CCS(=O)(=O)c2ccc(F)cc12 |w:13.13|

BDBM55207

CCOc1ccc(cc1OCC)-c1nnn(CC(=O)Nc2ccccc2OC)n1

BDBM55810

CCOc1ccc2=NC(=NNC(c3cccs3)=c2c1)c1cccnc1 |c:8,17,t:6|

BDBM55240

CCOc1ccc2nc(COC(=O)c3ccco3)c(C(C)=O)[n+]([O-])c2c1

BDBM50172

CCOc1ccc2nc(NC(=O)c3cccc(c3)-c3cc4ccccc4oc3=O)sc2c1

BDBM35433

CCOc1ccc2noc3-c4ccccc4C(=O)c1c23

BDBM55317

CCOc1cccc(CNc2nccs2)c1OCC=C

BDBM47749

CCOc1cccc2cc(-c3nnc(NCc4ccc5OCOc5c4)s3)c(=O)oc12

BDBM55614

CCOc1ccccc1N(C(=O)Nc1cccc(Cl)c1)C1=NC(C)CS1 |t:22|

BDBM55662

CCOc1ccccc1NC(=O)c1c(Br)cnn1C

BDBM55731

CCOc1ccccc1NC(=O)c1cc(nc2c(Cl)cccc12)-c1ccncc1

BDBM55703

CCOc1ccccc1OCCOCCN1CCN(Cc2ccccc2)CC1

BDBM55679

CCS(=O)(=O)c1ccc(Sc2nncn2C)c(c1)[N+]([O-])=O

BDBM55859

CCSS(=O)(=O)c1cccc2cccnc12

BDBM49893

CCSc1ccc(nn1)-c1ccc(C)cc1

BDBM55812

CC[n+]1c(C)cc2c(sc3ccccc23)c1C

BDBM55224

CC[n+]1cc(nc(n1)N1CCOCC1)-c1ccccc1

BDBM55225

CCc1[nH]c(=O)c(C#N)c2CCCCc12

BDBM55891

CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=S

BDBM55315

CCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCCCC1

BDBM55584

CCc1cc(=O)oc2cc3occ(-c4ccc(OC)c(F)c4)c3cc12

BDBM55672

CCc1cc(CNC(=O)CC2N(Cc3c(F)cccc3Cl)CCNC2=O)on1

BDBM55384

CCc1cc2c(s1)N1Cc3ccccc3C(C(=O)c3ccccc3Cl)=C1NC2=O |c:27|

BDBM45054

CCc1ccc(cc1)-c1csc(NC(=O)Oc2ccccc2)n1

BDBM46293

CCc1ccc(cc1)-c1nn(cc1CSC(N)=N)-c1ccccc1

BDBM55587

CCc1ccc2nc(sc2c1)N1C(c2c(oc3ccccc3c2=O)C1=O)c1ccc(OC)c(OC)c1

BDBM55293

CCc1cccc(NS(=O)(=O)c2ccc3n(C)c(=O)oc3c2)c1

BDBM55398

CCc1ccccc1NC(=O)C1CC(=NO1)c1ccc(F)cc1 |c:14|

BDBM55249

CCc1n[nH]c(=O)n1Cn1c(CC)n[nH]c1=O

BDBM40284

CCc1nc(SCC(=O)Nc2ccc3OCCOc3c2)c2oc3ccccc3c2n1

BDBM33519

CCc1nnc(NC(=O)CCC(=O)N2CCCC2)s1

BDBM54965

CCc1nnc(NCC(=O)N2CCc3ccccc23)s1

BDBM55621

CCn1c(C)cc(\C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1C

BDBM55373

CCn1c(Cc2c(C)[nH]c3ccccc23)nnc1SCC(=O)NCc1ccccc1

BDBM34278

CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC

BDBM55351

CCn1c(n[nH]c1=S)-c1ccccc1O

BDBM55274

CCn1c2ccccc2c(OCC(=O)NCCCN2CC(C)CC(C)C2)cc1=O

BDBM55597

CCn1cc(C=NNC(=O)COc2cccc3cccnc23)c2ccccc12

BDBM55288

CCn1cnc2sc(C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c(C)c2c1=O

BDBM55356

CCn1nc(C)c(NC(=O)\C=C\c2ccc(OC)c(COc3ccc(Cl)cc3Br)c2)c1C

BDBM55805

CN(C)C=NC(=S)Nc1c(C)cccc1C |w:4.4|

BDBM55252

CN(C)C=Nc1c(cnn1-c1ccc(cn1)C(F)(F)F)C#N

BDBM55339

CN(C)CC(=O)c1ccc(cc1)-c1ccccc1

BDBM55888

CN(C)CC(C)(C)CN=CC1C(=O)Nc2ccccc12 |w:8.7|

BDBM55791

CN(C)CCCN(C(=O)c1nc2ccccc2s1)c1nc2c(C)c(C)ccc2s1

BDBM51877

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

BDBM55465

CN(C)CCCOc1ccc(NC2c3ccccc3CSc3ccccc23)cc1

BDBM48892

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

BDBM51857

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

BDBM55668

CN(C)CCNC(=O)C(\NC(=O)c1ccccc1)=C\c1ccc(o1)-c1ccc(Cl)cc1Cl

BDBM55464

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

BDBM48681

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

BDBM52931

CN(C)Cc1cc(O)c(CN(C)C)cc1O

BDBM55671

CN(C)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccc(C)n1

BDBM55618

CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1

BDBM34966

CN(C)S(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O

BDBM48096

CN(C)c1ccc(C=CC=c2c(=C)[nH]n(-c3ccccc3)c2=O)cc1 |w:9.8|

BDBM50031

CN(C)c1ccc(C=c2sc3nc(nn3c2=O)-c2ccccc2)cc1

BDBM55911

CN(C)c1ccc(\C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1

BDBM55375

CN(C)c1ccc(\C=C2\C(=O)N(N=C2c2ccccc2)c2nc(cs2)-c2ccc(C)cc2)cc1 |c:12|

BDBM55542

CN(C)c1ccc(\C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1

BDBM44554

CN(C)c1ccc(\C=C2\C(=O)ON=C2C)cc1 |c:12|

BDBM55872

CN(C)c1ccc(\C=C2\C=C(OC2=O)c2ccc3CCCCc3c2)cc1 |c:9|

BDBM55847

CN(C)c1ccc(\C=C2\N(C)C(=S)N(C2=O)c2cccnc2)cc1

BDBM55667

CN(C)c1ccc(\C=C\C=C2\SC(=O)N(CC#C)C2=O)cc1

BDBM39775

CN(C)c1ccc(\C=C\C=C2\SC(=S)N(C2=O)c2ccccc2)cc1

BDBM55583

CN(C)c1ccc(\C=C\[N+]([O-])=O)cc1

BDBM55871

CN(C)c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)[N+]([O-])=O

BDBM32010

CN(C)c1ccc(cc1)N=Cc1nc(oc1O)-c1ccccc1 |w:9.9|

BDBM33048

CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCCO)C1=O |t:13|

BDBM33084

CN(C)c1ccc(cc1)\N=C1/C(C)=C(C#N)C(=O)N(CCO)C1=O |t:13|

BDBM50241461

CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C |(17.73,-40.24,;19.06,-41.01,;19.06,-42.55,;20.39,-40.24,;20.4,-38.7,;21.73,-37.93,;23.06,-38.69,;24.39,-37.91,;25.73,-38.69,;27.06,-37.93,;28.39,-38.69,;28.39,-40.23,;27.06,-41,;25.73,-40.23,;24.39,-41.01,;23.06,-40.24,;21.73,-41.01,;29.73,-41,;29.73,-42.54,;31.06,-40.23,)|

BDBM55917

CN(C)c1nc(cc(c1C#N)C(F)(F)F)-c1cccs1

BDBM55328

CN(C1CCCCC1)S(=O)(=O)c1ccc2n(C)cc(C(=O)NCCN3CCCC3)c(=O)c2c1

BDBM55673

CN(C1CCN(C)CC1)C(=O)NC(C)(C)c1cccc(c1)C(C)=C

BDBM55303

CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCNC(C)=O)cc1

BDBM55300

CN(CC(N)=O)S(=O)(=O)c1c(C)cc(C)cc1C

BDBM55902

CN(CCCC[C@H](CNCc1ccc(cc1)-c1ccccc1)N1C[C@@H](N(CCc2ccc(Cl)c(Cl)c2)C(=O)C1=O)c1ccccc1)Cc1ccc(cc1)-c1ccccc1

BDBM55743

CN(Cc1cnn(C)c1)Cc1nc(Cc2ccccc2Cl)no1

BDBM55386

CN(NC(=O)c1c(F)cccc1F)c1nc(cc(C)c1S(C)(=O)=O)-c1ccccc1

BDBM55801

CN(O)C(=O)Nc1ccc(cc1)[N+]([O-])=O

BDBM55839

CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C2CN(Cc3ccccc3)C(=O)C2)c1

BDBM55866

CN1C(=O)N(C)C(=O)C(=Cc2[nH]c3ccccc3c2CCNC(=S)NC2CC2)C1=O |(14.98,-2.98,;13.64,-3.75,;13.64,-5.29,;14.98,-6.06,;12.31,-6.06,;12.31,-7.6,;10.98,-5.29,;9.64,-6.06,;10.98,-3.75,;9.64,-2.98,;8.1,-2.98,;7.2,-4.22,;5.75,-3.75,;4.41,-4.52,;3.08,-3.75,;3.08,-2.21,;4.41,-1.44,;5.75,-2.21,;7.2,-1.74,;7.68,-.27,;6.65,.87,;7.13,2.34,;6.1,3.48,;4.6,3.16,;6.58,4.94,;5.55,6.09,;5.24,7.6,;4.09,6.57,;12.31,-2.98,;12.31,-1.44,)|

BDBM55219

CN1C(=O)NC2(N(C)C(=O)N(C)C12c1ccccc1)c1ccccc1

BDBM48177

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

BDBM22871

CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(Cl)cc12 |t:8|

BDBM55822

CN1CCN(CC1)N=Cc1ccc(cc1)N(c1ccccc1)c1ccccc1

BDBM41149

CN1CCN(CC1)S(=O)(=O)c1ccc(nc1)N1CCN(CC1)S(=O)(=O)\C=C\c1ccccc1

BDBM55698

CN1CCN(CC1)c1cc(C)c2cc(NC(=S)N3CCN(CC3)c3cccc(C)c3C)ccc2n1

BDBM55394

CN1CCN(CC1)c1nc(C)nc2n(C)c(=S)sc12

BDBM78434

CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1

BDBM48848

CN1CCN(CCCNC(=O)c2ccc(\C=C3/Sc4ccccc4N(Cc4ccc(F)cc4)C3=O)cc2)CC1

BDBM48847

CN1CCN(CCCNC(=O)c2ccc(\C=C3/Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1

BDBM55680

CN1CCN(CCCNC(=O)c2ccc(\C=C3\Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1

BDBM55820

CN1CCc2c(C1)sc(NC(=O)c1cc3cc(ccc3s1)[N+]([O-])=O)c2C(N)=O

BDBM39715

CN1\C(=C/C=C2/N=C(OC2=O)c2ccc(F)cc2)C(C)(C)c2ccccc12 |c:6|

BDBM55435

CN1c2ccc(Br)cc2C(=NC(OC(C)=O)C1=O)c1ccccc1 |c:10|

BDBM42228

CN1c2ccccc2N(C)C1(C)c1ccccc1

BDBM55593

CNC(=O)CCc1[nH]c2ccccc2c1Sc1ccccc1

BDBM55239

CNC(=O)OCc1cccc(COC(=O)NC)n1

BDBM55809

CNC(=S)NNC(=O)CNc1ccc(C)c(Cl)c1

BDBM55451

CNS(=O)(=O)c1cccc(c1)C(=O)OCC(=O)N1CCc2ccccc2C1

BDBM34791

CNc1nc(-c2ccccc2)[n+](s1)-c1ccc(C)cc1

BDBM55497

COC(=O)C(CC(=O)c1ccc(Cl)cc1)c1ccc(cc1)C(C)C

BDBM55349

COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1 |c:4|

BDBM47579

COC(=O)COc1ccc(C=NNC(=O)c2ccc(cc2)N(Cc2ccccc2)S(C)(=O)=O)cc1 |w:11.11|

BDBM55301

COC(=O)COc1ccc(cc1)S(=O)(=O)Nc1ccccc1SC

BDBM55864

COC(=O)CSc1nc2sc3CCCc3c2c(=O)[nH]1

BDBM55804

COC(=O)CSc1nccc(n1)-c1cccs1

BDBM51824

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

BDBM55605

COC(=O)c1c(C)[nH]c(C(=O)CSc2nc3scc(-c4ccc(OC)c(OC)c4)c3c(=O)n2CC=C)c1C

BDBM55434

COC(=O)c1cc(Br)c(=O)n(c1)-c1ccc(F)cc1

BDBM55588

COC(=O)c1cc(cc(c1)-n1c(O)cc(NNC(=O)c2ccc(C)cc2)c1O)C(=O)OC

BDBM50927

COC(=O)c1cc2c(c1C(=O)OC)c(-c1ccccc1)c(C)c1ccccn21

BDBM50932

COC(=O)c1cc2c(cc3ccccn3c2c1C(=O)OC)-c1ccccc1

BDBM41476

COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)o1

BDBM55448

COC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1

BDBM55709

COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccc(OC)cc1OC)n(CC1CCCO1)c2=O

BDBM34373

COC(=O)c1ccc2c(c1)nc(SCC(=O)Nc1ccccc1Cl)n(Cc1ccco1)c2=O

BDBM42820

COC(=O)c1cccc(Cn2nnc3ccccc3c2=O)c1

BDBM41826

COC(=O)c1ccccc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:14.15,t:12|

BDBM55553

COC(=O)c1nc2[N-]C(C)=C(C(c3ccc(cc3)[N+]([O-])=O)n2[nH+]1)C(=O)Nc1ccc(Cl)cc1 |c:9|

BDBM55915

COC(=O)c1onc(c1C(=O)OC)-c1c(Cl)cccc1Cl |(7.7,5.44,;6.8,4.2,;7.42,2.79,;8.95,2.63,;6.52,1.55,;4.98,1.55,;4.5,.08,;5.75,-.82,;6.99,.08,;8.46,-.39,;9.49,-1.54,;9.6,.64,;11.07,.16,;5.75,-2.36,;4.41,-3.13,;3.08,-2.36,;4.41,-4.67,;5.75,-5.44,;7.08,-4.67,;7.08,-3.13,;8.62,-3.13,)|

BDBM55923

COC(=O)c1sc(cc1NC(=O)CCC(O)=O)-c1ccc(cc1)C(C)(C)C

BDBM34413

COC(=O)c1sc(nc1C)N1C(c2cccs2)c2c(oc3ccccc3c2=O)C1=O

BDBM34767

COC1(NS(=O)(=O)c2ccc(C)cc2)C(Cl)=C(Cl)C(=O)c2ccccc12 |t:16|

BDBM55492

COCC(=O)N(C)c1nnc(s1)-c1ccc(cc1)[N+]([O-])=O

BDBM55760

COCCCNC(=S)N1CCCC(C1)c1nc2cc(C)c(C)cc2[nH]1

BDBM55666

COCCCNCCCCOc1ccc(Br)cc1C

BDBM55827

COCCNC(=O)C(=C\c1ccc(OC(=O)c2cccs2)c(OC)c1)\C#N

BDBM50919

COCCOC(=O)c1sc(=S)n(CCOC)c1N

BDBM55211

COCCn1c(SCC(=O)N2CCCc3ccccc23)nc2ccccc2c1=O

BDBM50537

COCc1cc(C)nc(N=NCc2ccc(o2)-c2ccc(Cl)cc2[N+]([O-])=O)c1C#N |w:9.8|

BDBM55819

COc1c(OCC(OC(C)=O)C(C)(C)O)ccc2c(OC)c3ccoc3nc12

BDBM55832

COc1cc(C=NNC(=O)c2cc(C)oc2C)ccc1O |w:6.6|

BDBM55906

COc1cc(CC(=O)OCC(=O)Nc2ccc(Cl)c(c2)S(=O)(=O)N(C)C)cc(OC)c1OC

BDBM55201

COc1cc(NC(=O)C(C)C)ccc1NC(=O)c1ccco1

BDBM55647

COc1cc(NC(=O)COC(=O)c2ccc(cc2)S(=O)(=O)N2CC(C)CC(C)C2)c(C)cc1[N+]([O-])=O

BDBM55687

COc1cc(NC(=O)COc2ccccc2[N+]([O-])=O)ccc1NC(=O)c1cccs1

BDBM55205

COc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2CC=C)ccc1NC(=O)c1ccco1

BDBM55909

COc1cc(NC(=O)c2cc(C)on2)cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM42201

COc1cc(NCCCCCCCN)c2ncccc2c1

BDBM44563

COc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1-n1cnnn1

BDBM55934

COc1cc(OC)c2ccc(=O)oc2c1C(CCN1CCN(CC1)c1ccccc1)c1ccc(cc1)N(C)C

BDBM55561

COc1cc(SC)ccc1C(=O)NCc1ccccc1

BDBM55658

COc1cc(\C=C(\NC(=O)c2ccccc2)C(=O)N2CCN(C)CC2)c(cc1OC)[N+]([O-])=O

BDBM55821

COc1cc(\C=C2/SC(=O)N(CCN)C2=O)ccc1OS(=O)(=O)c1cc(C)ccc1C

BDBM55481

COc1cc(\C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCc1ccncc1

BDBM55261

COc1cc(cc(Br)c1O)C1NC(=NO1)c1ccccc1 |c:13|

BDBM55738

COc1cc(cc(OC)c1OC)-c1n[nH]cc1CN(C)Cc1cc(C)n[nH]1

BDBM55243

COc1cc(cc(OC)c1OC)-c1noc(n1)-c1ccccc1C(=O)NCc1ccco1

BDBM55586

COc1cc2CCN(Cc2cc1OC)C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1

BDBM55719

COc1cc2CCN(Cc2cc1OC)C(=S)NC(=O)c1ccccc1

BDBM54186

COc1cc2CCN=C(c3ccc(o3)-c3cc(Cl)ccc3Cl)c2cc1OC |t:7|

BDBM48726

COc1cc2c(nc3n(nc(C)c3c2cc1OC)-c1ccccc1)-c1ccc(O)cc1

BDBM55191

COc1cc2cc(C(O)=O)n(C)c2c(OC)c1OC

BDBM55836

COc1cc2nc(CN3CCN(CC3)C(c3ccccc3)c3ccccc3)[nH]c(=O)c2cc1OC

BDBM50049394

COc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)cc1

BDBM55626

COc1ccc(-c2ccc(o2)-c2nc3n(Cc4ccccc4)c(=O)[nH]c(=O)c3n2C)c(c1)[N+]([O-])=O

BDBM55700

COc1ccc(-c2ccc(o2)C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)c(c1)[N+]([O-])=O

BDBM55405

COc1ccc(Br)cc1CNC(=O)Nc1cccs1

BDBM55675

COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(F)cc2)c(O)c1

BDBM54812

COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2)c(O)c1

BDBM55716

COc1ccc(C(=O)\C=C\C(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2OC)c(O)c1

BDBM55424

COc1ccc(C)c2s\c(=N/C(=O)c3ccccc3)n(C)c12

BDBM55624

COc1ccc(C=CC(=O)NC(=S)Nc2cc3oc4ccccc4c3cc2OC)cc1OC |w:6.5|

BDBM55579

COc1ccc(C=NNC(=O)CN(C2=NS(=O)(=O)c3ccccc23)c2ccccc2)cc1 |t:13|

BDBM55502

COc1ccc(C=NNC(=O)c2nn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)cc1

BDBM55883

COc1ccc(C=Nn2nnnc2N)cc1OC

BDBM55852

COc1ccc(CC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1OC

BDBM55487

COc1ccc(CCNC(=O)CC(C)=NNC(=O)c2ccc(N)cc2)cc1OC |w:14.14|

BDBM40512

COc1ccc(CCn2c(SCC(=O)Nc3cc(C)on3)nc3ccsc3c2=O)cc1OC

BDBM55269

COc1ccc(CNC(=O)c2c(O)n3CCCc4cccc(c34)c2=O)cc1OC

BDBM55686

COc1ccc(CNC(=O)c2noc(C)c2[N+]([O-])=O)cc1

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

BDBM55691

COc1ccc(Cl)cc1C(=O)C1CCCN(Cc2cnc(s2)N2CCOCC2)C1

BDBM54791

COc1ccc(Cl)cc1C(=O)Nc1cccc(c1)-c1ccc2nncn2n1

BDBM55475

COc1ccc(Cn2c(SCc3cc(C)ccc3C)nc3cc(OC)c(OC)cc3c2=N)cc1

BDBM51805

COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl

BDBM55245

COc1ccc(N2CC(C)Cn3c2nc2n(C)c(=O)n(Cc4ccccc4F)c(=O)c32)c(OC)c1

BDBM34515

COc1ccc(N2CSC3=C(C#N)C(CC(=O)N3C2)c2cc(OC)c(OC)cc2OC)c(OC)c1 |c:9|

BDBM55281

COc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)c(OC)c1

BDBM55313

COc1ccc(NC(=O)Cn2nnc(n2)-c2ccccc2F)cc1

BDBM55444

COc1ccc(NC(=O)c2ccc(cc2)-n2nc(C)cc2C)cc1OC

BDBM55721

COc1ccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1Cl

BDBM55905

COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccnc3Cl)ccc2N2CCCC2)cc1

BDBM55651

COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)c3cccc(F)c3)c2)cc1

BDBM55896

COc1ccc(Nc2oc(\C=C3\SC(=S)N(CC4CCCO4)C3=O)nc2C#N)cc1

BDBM55660

COc1ccc(OC)c(C=NNC(=O)c2cc(nc3ccccc23)-c2ccc(C)o2)c1

BDBM55250

COc1ccc(OC)c(N)c1

BDBM40572

COc1ccc(OC)c(NC(=O)CCN2CCC(C)CC2)c1

BDBM55573

COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n23)c1

BDBM50605

COc1ccc(OC)c2C(=O)C(Cl)=C(Cl)C(=O)c12 |t:12|

BDBM50303182

COc1ccc(OC)c2C(=O)c3ccccc3C(=O)c12

BDBM55609

COc1ccc(OCC(=O)NN=Cc2ccsc2)cc1

BDBM55374

COc1ccc(OCc2nc(N)nc(Nc3ccccc3OC)n2)cc1

BDBM55298

COc1ccc(OCc2nnc(SC(C)C(=O)Nc3nccs3)n2-c2ccccc2)cc1

BDBM55506

COc1ccc(\C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1C(O)=O

BDBM55552

COc1ccc(\C=C2/SC(=O)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1OC

BDBM55396

COc1ccc(\C=C\C(=O)NCC(=O)NN=Cc2cc(Br)ccc2OC)cc1

BDBM55555

COc1ccc(cc1)-c1c[nH][nH+]c1-[c-]1ccc(OCc2ccc(cc2)[N+]([O-])=O)cc1=O

BDBM55545

COc1ccc(cc1)-c1cc(=O)oc2cc(OCC(=O)c3cccc(c3)[N+]([O-])=O)ccc12

BDBM55247

COc1ccc(cc1)-c1cc(n2nc(nc2n1)C(O)=O)C(F)(F)F

BDBM48870

COc1ccc(cc1)-c1cnnc(N=NCc2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)n1 |w:13.13|

BDBM40146

COc1ccc(cc1)-c1nnc(o1)-c1cc2c(ccc3ccccc23)oc1=O

BDBM55332

COc1ccc(cc1)-n1c(Cc2cc(=O)[nH]c(=O)[nH]2)nnc1SCC(=O)Nc1ccccc1

BDBM55582

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

BDBM55602

COc1ccc(cc1)-n1c(SCC(=O)N2CCc3ccccc23)nnc1-c1c[nH]c2ccccc12

BDBM55575

COc1ccc(cc1)-n1nc(C(=O)Nc2nc3ccc(OC)cc3s2)c2ccccc2c1=O

BDBM55841

COc1ccc(cc1)C(=O)NCC(=O)N1CCc2ccccc2C1

BDBM55378

COc1ccc(cc1)C(=O)Nc1cc(OC)c(NC(=O)c2ccco2)cc1OC

BDBM55869

COc1ccc(cc1)C(CCNC(C)c1ccccc1)C(C)C

BDBM55309

COc1ccc(cc1)C1C(C#N)C(=N)Oc2cc3OCOc3cc12

BDBM55664

COc1ccc(cc1)N(C(=O)C(C)C)S(=O)(=O)c1cccc2cccnc12

BDBM55404

COc1ccc(cc1)N1C(C(CCC1=O)C(=O)NCc1cccnc1)c1ccc(OC)c(OC)c1

BDBM55329

COc1ccc(cc1)N1C(N2CCCC2C1=O)c1cc(OC)c(OC)c(OC)c1

BDBM55236

COc1ccc(cc1)N1CCN(CC1)c1oc(nc1C#N)-c1ccccc1OC

BDBM52767

COc1ccc(cc1)N=Cc1c(O)c2ccccc2n1C(C)=O |w:8.8|

BDBM55683

COc1ccc(cc1)N=Cc1c(O)n(-c2ccc(OC)cc2)c(=O)c2ccccc12 |w:8.8|

BDBM55214

COc1ccc(cc1)S(=O)(=O)N1CCC(CC1)C(=O)NCCc1ccc2OCOc2c1

BDBM55387

COc1ccc(cc1)S(=O)(=O)ON=C1CCCc2ccccc12 |w:12.12|

BDBM55607

COc1ccc(cc1COC(=O)CNC(=O)c1ccc(Cl)cc1)C(C)=O

BDBM55559

COc1ccc(cc1CSc1nc2ccccc2s1)C1NCCc2c1[nH]c1ccccc21

BDBM34474

COc1ccc(cc1NC(=O)c1ccc(Br)o1)-c1cc2ccccc2oc1=O

BDBM55519

COc1ccc(cc1NC(=O)c1ccc(o1)[N+]([O-])=O)-c1cc2ccccc2oc1=O

BDBM55526

COc1ccc(cc1OC)-c1c(oc2cc(OCC(=O)Nc3ccccc3C(F)(F)F)ccc2c1=O)C(F)(F)F

BDBM55427

COc1ccc(cc1OC)-c1ccc(C#N)c(SCC(=O)Nc2sc3CCCc3c2C#N)n1

BDBM54970

COc1ccc(cc1OC)-c1csc2nc(oc(=O)c12)-c1ccc(C)cc1

BDBM55485

COc1ccc(cc1OC)-c1csc2nc(oc(=O)c12)-c1ccccc1F

BDBM40051

COc1ccc(cc1OC)-c1nc(C(N)=O)c2[nH]c(=O)n(-c3cccc(Cl)c3)c2n1

BDBM55197

COc1ccc(cc1OC)-c1nnc(CSc2nc3ccccc3c(=O)n2CC(C)C)o1

BDBM55539

COc1ccc(cc1OC)-c1nnc(NC(=O)CSc2ccc(Cl)cc2)s1

BDBM55797

COc1ccc(cc1OC)-c1nnn(CC(=O)NCc2ccc3OCOc3c2)n1

BDBM55290

COc1ccc(cc1OC)C(=O)COC(=O)c1ccc(OC)c(OC)c1

BDBM55305

COc1ccc(cc1OC)C(=O)CSc1cc(C)nc2nc(C)nn12

BDBM41046

COc1ccc(cc1OC)C(=O)c1sc2nc(ccc2c1N)-c1ccccc1

BDBM55654

COc1ccc(cc1OC)C1C(C(=O)c2ccccc2)C(C)=Nc2nc3ccccc3n12 |c:23|

BDBM50969

COc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc(c1)-c1cc2ccccc2oc1=O

BDBM50174412

COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1

BDBM55842

COc1ccc2c(CC(=O)Nc3ccc(OC)nc3)coc2c1

BDBM55620

COc1ccc2c(cc(=O)oc2c1)-c1cc2ccc(OCc3ccc(F)cc3)cc2oc1=O

BDBM55751

COc1ccc2cc(OC)c(cc2c1)C(=O)N1CCOCC1

BDBM55282

COc1ccc2cc3cc(oc3nc2c1)C(=O)Nc1ccc2OCCOc2c1

BDBM55574

COc1ccc2cc3cc(sc3nc2c1)C(=O)NCCCN1CCc2ccccc2C1

BDBM55567

COc1ccc2nc(C)cc(SCC(=O)NN=Cc3c(OC)ccc4ccccc34)c2c1

BDBM55546

COc1ccc2nc(N=Cc3c(C)[nH]n(-c4ccc(C)cc4)c3=O)sc2c1 |w:8.7|

BDBM55606

COc1ccc2nc(N=Nc3c(O)ccc4ccccc34)sc2c1 |w:8.7|

BDBM55589

COc1ccc2nc(NC(=O)c3cccc(c3)-c3cc4ccccc4oc3=O)sc2c1

BDBM55523

COc1ccc2oc(nc2c1)-c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1

BDBM55863

COc1cccc(C=NNC(=O)CNC(=O)COc2ccccc2)c1O |w:8.8|

BDBM34178

COc1cccc(OC)c1-c1nn2c(nnc2s1)-c1cc(n[nH]1)-c1ccccc1

BDBM55484

COc1cccc(SCc2noc(C(=O)NCC=C)c2C(O)=O)c1

BDBM41532

COc1cccc(c1)-c1cc(no1)C(=O)Nc1cnn(Cc2ccccc2C)c1

BDBM55632

COc1cccc(c1)-n1nc2c(c1C)c(C)nn(Cc1ccccc1Cl)c2=O

BDBM55548

COc1cccc(c1)C(=O)NC(=S)Nc1ccc2oc(=O)ccc2c1

BDBM55501

COc1cccc(c1)N(C(C(=O)NC1CCCCC1)c1ccncc1)C(=O)Cn1nnc(n1)-c1cccs1

BDBM55806

COc1cccc2cc(C(=O)NNC(=O)c3ccc(Br)cc3)c(=O)oc12

BDBM55406

COc1ccccc1-n1c(C)nc2cc(ccc12)C(O)=O |(15.22,.92,;13.71,.6,;12.68,1.75,;13.16,3.21,;12.13,4.36,;10.63,4.04,;10.15,2.57,;11.18,1.43,;10.7,-.04,;11.6,-1.28,;13.14,-1.28,;10.7,-2.51,;9.24,-2.05,;7.91,-2.82,;6.57,-2.05,;6.57,-.51,;7.91,.26,;9.24,-.51,;5.24,-2.82,;3.91,-2.05,;5.24,-4.36,)|

BDBM55773

COc1ccccc1-n1ccnc1SCC(=O)NC(C)(C)C

BDBM55595

COc1ccccc1-n1cnc2n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc3c2c1=O

BDBM55688

COc1ccccc1CCNC(=O)c1cc(nc2ccc(Br)cc12)-c1ccncc1

BDBM55570

COc1ccccc1CN(C(C(=O)NC1CCCCC1)c1ccncc1)C(=O)CCl

BDBM55458

COc1ccccc1N(C)S(=O)(=O)c1ccc(cc1)C(=O)NC(C)(C)C

BDBM55199

COc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)c1cnn(c1)C(C)C

BDBM48082

COc1ccccc1N=Nc1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |w:8.8|

BDBM55521

COc1ccccc1NC(=O)COc1ccc(C=NNC(=O)CSCc2cc(C)cc(C)c2)cc1

BDBM55670

COc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccc(C)cc3)n2n1

BDBM55228

COc1ccccc1NC(=O)Cn1c(C)cc(=O)c2cc(Br)ccc12

BDBM55337

COc1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1

BDBM55560

COc1ccccc1Oc1ccc2C(=O)N(C(=O)c2c1)c1cccc2ncccc12

BDBM50238

COc1nc(N=NCc2ccc(o2)-c2cccc(c2)[N+]([O-])=O)nc(n1)N1CCOCC1 |w:5.4|

BDBM37509

COc1nc(Nc2nc3ccccc3c(=O)[nH]2)nc2ccc(C)cc12

BDBM55217

COc1nccc(Nc2ccccc2)c1C#N

BDBM44204

CS(=O)(=O)N(CC(=O)N1CCN(CC1)c1ccccc1)c1cccc(Br)c1

BDBM55512

CS(=O)(=O)N1CCN(CC1)c1ccc(c(NCCN2CCOCC2)c1)[N+]([O-])=O

BDBM55696

CSCCNCc1cn(nc1-c1ccccc1C)-c1ccc(F)cc1F

BDBM55543

CSc1ccc(\C=C(\NC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(F)c2)cc1

BDBM55652

CSc1cccc(NC(=O)CCC(O)=O)c1

BDBM51831

CSc1cccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1

BDBM55729

CSc1ccccc1NC(=O)c1cc(nc2ccc(Br)cc12)-c1cccnc1

BDBM55785

CSc1nnc(C)c(=O)n1COC(=O)COc1ccc(Cl)cc1Cl

BDBM55284

CSc1sc(C)cc1C1C(C#N)C(=N)N(C2=C1C(=O)CCC2)c1cccnc1 |c:16|

BDBM55286

C[N+](C)(C)CCNC(=O)c1c(O)c2CCCCc2[nH]c1=O

BDBM55442

C[N+]1(CC(=O)Nc2ccccc2Cl)CCN(CC1)C(=O)c1cccs1

BDBM55860

C\C=C(\C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccc(Cl)cc2)C(N)=O)C1 |t:14|

BDBM55438

Cc1[nH]c2c(ccc3ccccc23)c1C1C(CCN)C1(C)C

BDBM55612

Cc1[nH]c2ccccc2c1C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(C)cc1 |w:12.13,18.20|

BDBM38217

Cc1[nH]c2ccccc2n2c1cc(CC(O)=O)c2=O

BDBM55885

Cc1[nH]ccc2c3ccc(O)cc3nc12

BDBM55495

Cc1[nH]n(-c2ccccc2)c(=O)c1CCOC(=O)c1ccc(C)cc1

BDBM33362

Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc(cc1)[N+]([O-])=O |w:13.14|

BDBM55231

Cc1[nH]nc2C(=O)N(C(c12)c1ccccn1)c1ccc(C)cc1

BDBM55234

Cc1[nH]nc2C(=O)N(C(c3ccco3)c12)c1ccc(C)cc1

BDBM50508

Cc1c(C#N)c(N)[nH]c2c(C#N)c(=C)c(=Cc3ccc(o3)-c3ccccc3C(O)=O)c12

BDBM55692

Cc1c(C(c2ccc(Br)cc2)c2c(O)c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C

BDBM55210

Cc1c(C)c2ccccc2n1CC(O)CN1CCOCC1

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|

BDBM55338

Cc1c(Cl)cccc1N1CC(CC1=O)C(=O)Nc1nccs1

BDBM55926

Cc1c(c(nn1C)C(=O)Sc1ccc(Br)cc1)[N+]([O-])=O

BDBM55292

Cc1c(oc2ccc(cc12)S(=O)(=O)N1CCOCC1)C(=O)NCc1ccccn1

BDBM55849

Cc1cc(=O)oc2cc(OCC(=O)c3ccc4OCC(=O)Nc4c3)ccc12

BDBM55705

Cc1cc(Br)ccc1OCCCCN1CCCCC1

BDBM55826

Cc1cc(C(=O)COC(=O)c2ccc(C)cc2)c(C)n1CC1CCCO1

BDBM55853

Cc1cc(C(=O)N\N=C\c2ccc(o2)[N+]([O-])=O)c(C)o1

BDBM55258

Cc1cc(C)c(OCC(=O)Nc2ccccc2N2CCOCC2)c(C)c1

BDBM55289

Cc1cc(C)c(c(C)c1)S(=O)(=O)NCC1CCC(CC1)C(=O)NCCCN1CCOCC1 |(5.75,-11.17,;5.75,-9.63,;4.41,-8.86,;4.41,-7.32,;3.08,-6.55,;5.75,-6.55,;7.08,-7.32,;8.41,-6.55,;7.08,-8.86,;5.75,-5.01,;7.29,-5.01,;4.21,-5.01,;5.75,-3.47,;7.08,-2.7,;7.08,-1.16,;8.41,-.39,;8.41,1.16,;7.08,1.93,;5.75,1.16,;5.75,-.39,;7.08,3.47,;5.75,4.24,;8.41,4.24,;8.41,5.78,;9.75,6.55,;9.75,8.09,;11.08,8.86,;11.08,10.4,;12.42,11.17,;13.75,10.4,;13.75,8.86,;12.42,8.09,)|

BDBM55650

Cc1cc(C)c(cc1C)-c1cc(NC(=O)COC(=O)c2ccc(CO)cc2)n(n1)-c1ccccc1

BDBM55715

Cc1cc(C)c2c(n1)nc(SCC(=O)c1ccc(F)c(C)c1)[nH]c2=O

BDBM54747

Cc1cc(C)c2c(n1)sn(CC(=O)NC1CCCC1)c2=O

BDBM55722

Cc1cc(C)c2nc3nc(C)c(C)cc3c(N)c2c1

BDBM55530

Cc1cc(C)c2nc3nc(C)cc(C)c3c(N)c2c1

BDBM55623

Cc1cc(C)cc(Nc2nc3c(nnn3c3ccccc23)S(=O)(=O)c2ccccc2)c1

BDBM55800

Cc1cc(C)cc(Oc2ccccc2CO)c1

BDBM55370

Cc1cc(C)n(n1)S(=O)(=O)c1ccc(C)cc1

BDBM34221

Cc1cc(C)n2c(n[nH]c2=S)n1

BDBM55831

Cc1cc(C)n2nc(SCC(=O)NC(=O)NCc3ccco3)nc2n1

BDBM54082

Cc1cc(C)n2nc(nc2n1)C(=O)NNC(=O)c1ccc(Cl)cc1

BDBM55443

Cc1cc(C)nc(NC(=O)CSc2nc3ccccc3o2)n1

BDBM55476

Cc1cc(C)nc(SCCC(=O)Nc2ccccc2)n1

BDBM55603

Cc1cc(C)nc(SCc2ccc(cc2)C(=O)NNC(=O)Nc2cccc(Cl)c2)n1

BDBM55255

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,)|

BDBM55880

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

BDBM33089

Cc1cc(N)ccc1N1CCCC1

BDBM55726

Cc1cc(N2CCCC2)c(F)cc1\C=C/[N+]([O-])=O

BDBM55421

Cc1cc(NC(=O)CSc2nc3c4ccccc4sc3c(=O)n2CCc2ccccc2)[nH]n1

BDBM55856

Cc1cc(NC(=O)CSc2nnc(C3COc4ccccc4O3)n2N)no1

BDBM37530

Cc1cc(NC(=O)c2ccc(Cl)cc2)no1

BDBM55312

Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)nn1CC(=O)NCc1ccco1

BDBM29639

Cc1cc(O)ccc1Nc1nc2ccccc2nc1Nc1ccc(O)cc1C

BDBM50214

Cc1cc([nH]n1)C(=O)NN=Cc1cc(ccc1O)N=Nc1ccccc1 |w:19.21,9.9|

BDBM55611

Cc1cc(\C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c(C)n1-c1ccncc1

BDBM55694

Cc1cc(c(C)o1)-c1nnc(CCC(=O)N2CCN(Cc3cccnc3)CC2)o1

BDBM55656

Cc1cc(cs1)-c1n[nH]c(=S)n1Cc1ccccc1

BDBM55304

Cc1cc(cs1)C(=O)N1CCN(C\C=C\c2ccccc2)CC1

BDBM55919

Cc1cc(nc2oc(C(=O)NN)c(N)c12)-c1ccccc1

BDBM55689

Cc1cc(nn1CC(=O)NCc1nc2ccccc2[nH]1)[N+]([O-])=O

BDBM55470

Cc1cc(nn1Cc1n[nH]c(=S)n1-c1ccc(Cl)cc1)C(F)(F)F

BDBM55528

Cc1cc2c(C)nc(N=NCc3ccc(cc3)[N+]([O-])=O)nc2o1 |w:8.7|

BDBM55884

Cc1cc2cc3c(nc2cc1C)[nH]c(=O)[nH]c3=O

BDBM55196

Cc1cc2n(C)c3c(cnn(CC(=O)NCCc4ccccc4)c3=O)c2s1

BDBM52827

Cc1cc2nc3ccc(cc3sc2cc1N)=[N+](C)C |(12.52,4.7,;11.24,5.45,;9.9,4.69,;8.58,5.48,;7.3,4.74,;6.02,5.48,;4.7,4.69,;3.36,5.45,;3.36,6.99,;4.7,7.75,;6.02,6.96,;7.3,7.69,;8.58,6.96,;9.9,7.75,;11.24,6.99,;12.52,7.73,;2.08,7.73,;.8,7,;2.08,9.21,)|

BDBM55233

Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2N)c1

BDBM55749

Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)NCc3ccco3)cc12

BDBM40307

Cc1ccc(CCN2CC(CC2=O)C(=O)NCCCN2CCCCCC2)cc1

BDBM55641

Cc1ccc(CN=Nc2ccnc3cc(Cl)ccc23)c(C)c1 |w:7.7|

BDBM55411

Cc1ccc(CNC(=O)CCc2nc(no2)-c2cccs2)cc1

BDBM55613

Cc1ccc(CNC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1

BDBM55347

Cc1ccc(CNC(=O)c2ccc(CN3CCOCC3)cc2)cc1

BDBM50449

Cc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|

BDBM55638

Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1ccc2nc[nH]c2c1

BDBM41036

Cc1ccc(Cl)cc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:12.13,t:10|

BDBM55294

Cc1ccc(N2CCN(CC2)C(=O)c2ccccc2)c(C)c1

BDBM55834

Cc1ccc(NC(=O)CN2C(=O)NC3(CCCc4ccccc34)C2=O)cc1S(=O)(=O)N1CCOCC1

BDBM50302

Cc1ccc(NC(=O)CN2C(=O)\C(=C3/SC(=S)N(C4CCS(=O)(=O)C4)C3=O)c3ccccc23)cc1

BDBM50199

Cc1ccc(NC(=O)CN2C(=O)\C(=N/NC(=O)c3cc4ccccc4cc3O)c3ccccc23)cc1

BDBM55488

Cc1ccc(NC(=O)N(Cc2ccco2)Cc2cc3cc(C)cc(C)c3nc2Cl)cc1

BDBM55655

Cc1ccc(NC(=O)c2cc(ccc2Cl)-n2cnnc2)c(C)c1

BDBM55685

Cc1ccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1Cl

BDBM55453

Cc1ccc(NC(=S)N=C(NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 |w:8.7|

BDBM55578

Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1C |w:9.9,t:6|

BDBM55527

Cc1ccc(NCCCC(=O)NN=Cc2cccc(CC=C)c2O)cc1 |w:12.11|

BDBM55363

Cc1ccc(Nc2nc(N)nc(CN3CCc4ccccc4C3)n2)cc1

BDBM55893

Cc1ccc(O)c(c1)C(=O)c1cnn(c1)C(=O)COc1ccccc1C#N

BDBM55380

Cc1ccc(OCC(=O)NC2=NCCS2)cc1 |t:10|

BDBM55598

Cc1ccc(OCC(=O)NNc2c3ccccc3nc3ccccc23)cc1

BDBM55469

Cc1ccc(OCc2ccc(o2)C(=O)Nc2nc3ccccc3n2Cc2ccccc2)c(c1)[N+]([O-])=O

BDBM34786

Cc1ccc(cc1)-c1nc(N)s[n+]1-c1ccccc1

BDBM51767

Cc1ccc(cc1)-c1nc(NC(=O)CSc2cc(C)c3ccccc3n2)ns1

BDBM33133

Cc1ccc(cc1)-c1nc([s+]n1-c1ccccc1)N1CCOCC1

BDBM55659

Cc1ccc(cc1)-c1nnc(N(NC(=S)C(=O)Nc2ccccc2)c2ccccc2)n1-c1ccccc1

BDBM55585

Cc1ccc(cc1)-c1nnc(Oc2ccc(NC(=O)c3ccccc3)cc2)c2ccccc12

BDBM55889

Cc1ccc(cc1)-n1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1nccs1

BDBM55428

Cc1ccc(cc1)-n1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(F)c(F)c1

BDBM55437

Cc1ccc(cc1)-n1c(O)c(C=NC2CCS(=O)(=O)C2)c2ccccc2c1=O |w:12.13|

BDBM55572

Cc1ccc(cc1)-n1cc(-c2ccccc2)c2c(NN3CCOCC3)ncnc12

BDBM34737

Cc1ccc(cc1)-n1sc2ccccc2c1=O

BDBM55796

Cc1ccc(cc1)C(=O)NNC(=O)c1ccc2ncccc2c1

BDBM55500

Cc1ccc(cc1)C(CSc1nccn1-c1ncc(cc1Cl)C(F)(F)F)N=O

BDBM55194

Cc1ccc(cc1)C(N(Cc1ccco1)C(=O)CNC(=O)c1ccco1)C(=O)NCc1ccco1

BDBM55520

Cc1ccc(cc1)C(N(Cc1cccs1)C(=O)c1ccc2OCCOc2c1)C(=O)NC(C)(C)C

BDBM55764

Cc1ccc(cc1)C(N1CCCC1)c1nnnn1CS(=O)(=O)c1ccc(C)cc1

BDBM55846

Cc1ccc(cc1)S(=O)(=O)NCCC(=O)OCC(=O)Nc1ccccc1Cl

BDBM50983

Cc1ccc(cc1-c1ccc(C=C(C#N)c2n[nH]c(N)c2C#N)o1)[N+]([O-])=O |w:11.11|

BDBM55397

Cc1ccc(cc1Br)C(=O)N1CCCC1

BDBM55642

Cc1ccc(cc1C)-c1nnc(-n2ncc(C#N)c2N)c2ccccc12

BDBM55897

Cc1ccc(cc1C)-n1c(O)c(CN=Nc2ccccc2)c(=O)[nH]c1=O |w:13.13|

BDBM55431

Cc1ccc(cc1CNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O)-c1nn(C)c(=O)c2ccccc12

BDBM55266

Cc1ccc(cc1F)C(=NC(=O)N1CCOCC1)C(Cl)Cl |w:9.10|

BDBM55622

Cc1ccc(cc1NC(=O)C1c2ccccc2Oc2ccccc12)-c1nc2cccnc2s1

BDBM55341

Cc1ccc(cc1NC(=O)COc1ccc(Cl)cc1C)-c1nc2cccnc2o1

BDBM34340

Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-n1sc2ccccc2c1=O

BDBM55754

Cc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)C(O)=O)C(=O)Nc1cccc(c1)[N+]([O-])=O

BDBM55491

Cc1ccc(cc1[N+]([O-])=O)-c1ccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)o1

BDBM23421

Cc1ccc(o1)C(=O)C1C(N(Cc2ccccc2)C(=O)C1=O)c1cccnc1

BDBM55865

Cc1ccc2[nH]c(C(O)=O)c(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2c1

BDBM55761

Cc1ccc2[nH]c([nH+]c2c1)C(=C(/Sc1ccccc1)[C-](Cl)Cl)\[N+]([O-])=O

BDBM40965

Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(o3)-c3ccccc3)c2n1

BDBM55550

Cc1ccc2nc(Cl)c(C=NNC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2c1

BDBM55213

Cc1ccc2nc(SCC(=O)NCc3ccco3)c(cc2c1)C#N

BDBM55728

Cc1ccc2oc(Nc3nc(cc(=O)[nH]3)-c3ccccc3)nc2c1

BDBM55504

Cc1cccc(C)c1NC(=O)N1C(CSC1C(O)=O)C(O)=O

BDBM55549

Cc1cccc(NC(=O)CN2C(=O)\C(=N/NC(=O)c3ccccc3O)c3ccccc23)c1

BDBM55676

Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CC(=O)c3ccc(cc3)[N+]([O-])=O)ccc2C)c1

BDBM55591

Cc1cccc(Oc2coc3cc(OC(=O)c4cncc(Br)c4)ccc3c2=O)c1

BDBM55741

Cc1cccc(SC2CCN(Cc3nc(CC4CC4)no3)CC2)c1

BDBM55564

Cc1cccc(c1)-n1[nH]c2c3C(=O)c4ccccc4C(=O)c3ccc2c1=O

BDBM55747

Cc1cccc(c1)-n1c(O)cnc1Nc1nc(C)cc(C)n1

BDBM55229

Cc1cccc(c1)-n1ncc(C#N)c1N

BDBM55494

Cc1cccc(c1)C(=O)ON=C1CCSc2ccc(C)cc12

BDBM55633

Cc1cccc2cc(-c3ccccc3)c(c[n+]12)-c1ccccc1

BDBM55644

Cc1ccccc1-n1c(SCC(=O)NCc2cccs2)nc2ccccc2c1=O |(5.66,-2.34,;5.66,-3.88,;4.33,-4.65,;4.33,-6.19,;5.66,-6.96,;6.99,-6.19,;6.99,-4.65,;8.33,-3.88,;8.33,-2.34,;6.99,-1.57,;6.99,-.03,;5.66,.74,;4.33,-.03,;5.66,2.28,;4.33,3.05,;4.33,4.59,;3.08,5.5,;3.56,6.96,;5.1,6.96,;5.57,5.5,;9.66,-1.57,;10.99,-2.34,;12.37,-1.52,;13.77,-2.31,;13.77,-3.91,;12.37,-4.7,;10.99,-3.88,;9.66,-4.65,;9.66,-6.19,)|

BDBM34849

Cc1ccccc1-n1sc2cc(F)ccc2c1=O

BDBM32705

Cc1ccccc1C(=O)N=c1sccn1C |w:9.9|

BDBM43270

Cc1ccccc1C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1

BDBM55569

Cc1ccccc1CCN(C(C(=O)NCC1CCCO1)c1nc2ccccc2n1C)C(=O)Cn1nnc2ccccc12

BDBM55395

Cc1ccccc1Cn1c2ccccc2c(=O)n(CCC(=O)NCc2ccc3OCOc3c2)c1=O

BDBM34557

Cc1ccccc1N1C(=O)c2sc3nc4CCCc4c(=O)n3c2C1=O

BDBM55762

Cc1ccccc1NC(=O)CCC(=O)OCC(=O)c1cccc(c1)[N+]([O-])=O

BDBM55540

Cc1ccccc1NC(=O)CN1C(=O)\C(=N/NC(=O)c2ccccc2O)c2ccccc12

BDBM55459

Cc1ccccc1NC(=O)c1sc(Cl)nc1-c1ccccc1

BDBM55367

Cc1ccccc1OCCn1cnc2c(N)ncnc12

BDBM55744

Cc1ccccc1OCc1nnc(SCC(=O)NCc2ccco2)n1C

BDBM34346

Cc1ccnc(n1)-n1sc2ccccc2c1=O

BDBM55571

Cc1cncn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3cccc(Cl)c3)n2n1

BDBM55186

Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)n2C)n1

BDBM55306

Cc1csc(SCC(=O)Nc2cccc3nsnc23)n1

BDBM50566

Cc1nc(COC(=O)c2cc(O)c3ccccc3c2O)cs1

BDBM55532

Cc1nc(NC(=O)c2cccc(c2)-c2cc3ccccc3oc2=O)ccc1Br

BDBM55392

Cc1nc(OCC(=O)c2ccc(Cl)cc2)c(C#N)c2CC(C)(C)OCc12

BDBM50120

Cc1nc2cccc3cccc([nH]1)c23

BDBM55353

Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1

BDBM55326

Cc1nc2ccccc2c2oc(cc12)C(=O)NCc1ccc2OCOc2c1

BDBM55648

Cc1nc2ccccc2nc(=O)c1NNc1ccccc1

BDBM55420

Cc1nc2nc(C)c(CCC(=O)N3CCN(CC3)c3ccccc3)c(C)n2n1

BDBM41322

Cc1nc2nc(SCC(=O)NCc3ccco3)nn2c(C)c1Cc1ccccc1

BDBM55503

Cc1nccc(O)c1OCc1ccccc1

BDBM55419

Cc1nn(-c2ccc(C)cc2)c2nc(C)c(CCC(=O)NCc3ccccc3)c(C)c12

BDBM55462

Cc1nn(C)c(C(=O)Nc2ccn(Cc3c(F)c(F)cc(F)c3F)n2)c1[N+]([O-])=O

BDBM47257

Cc1nn(C)cc1CNC(=O)c1cc(nc2ccc(Br)cc12)-c1ccc(C)cc1

BDBM55193

Cc1nn(CC(=O)Nc2ccc3c(c2)oc2ccccc32)c(=O)c2ccccc12

BDBM48728

Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)CSc1nc-2c(CCc3ccccc-23)c(n1)C(F)(F)F

BDBM55486

Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)CSc1nc-2c(CCc3ccccc-23)c(n1)C(F)(F)F

BDBM55604

Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCN1C(=O)S\C(=C/c2ccccc2)C1=O

BDBM55381

Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nc(nc2n(ncc12)-c1ccccc1)-c1ccccc1

BDBM55562

Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1nc-2c(CCc3ccccc-23)c(n1)C(F)(F)F

BDBM55916

Cc1nn(c(C)c1C=NOC(=O)Nc1ccc(C)c(Cl)c1)C(C)(C)C |w:8.9|

BDBM55441

Cc1noc(C)c1C(=O)N1CCCc2ccccc12

BDBM55259

Cc1noc(C)c1COC(=O)Cc1ccc(Cl)c(Cl)c1

BDBM30940

Cc1oc(nc1CN1CCC(CC1)C(=O)N1CCc2ccccc2C1)-c1ccc(Cl)cc1

BDBM55758

Cc1onc(c1C(=O)N1CCN(CC1)c1ncccn1)-c1c(Cl)cccc1Cl |(11.3,2.38,;12.21,1.14,;13.75,1.14,;14.22,-.33,;12.98,-1.23,;11.73,-.33,;10.27,-.8,;9.24,-1.95,;9.12,.23,;7.66,-.25,;6.51,.78,;6.83,2.29,;8.3,2.76,;9.44,1.73,;5.69,3.32,;4.22,2.84,;3.08,3.87,;3.4,5.38,;4.86,5.85,;6.01,4.82,;12.98,-2.77,;11.64,-3.54,;10.1,-3.54,;11.64,-5.08,;12.98,-5.85,;14.31,-5.08,;14.31,-3.54,;15.64,-2.77,)|

BDBM55425

Cc1onc(c1C(=O)Nc1ccon1)-c1ccccc1

BDBM55920

Cl.CC(C)CC(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(N)COC(=O)C(F)(F)F

BDBM55904

Cl.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)Cc1ccc(O)cc1

BDBM51864

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

BDBM51858

Cl.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

BDBM51888

Cl.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)Cc1ccc(O)cc1

BDBM51869

Cl.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

BDBM55838

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

BDBM55903

Cl.NCCCC[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)CO)n1cc(nn1)[C@@H](N)CO

BDBM55837

Cl.NCCCC[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)CO

BDBM48722

Clc1c(sc2cc(Cl)ccc12)C(=O)NN=Cc1ccc2OCOc2c1 |w:14.15|

BDBM41069

Clc1c(sc2ccccc12)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1

BDBM55913

Clc1cc(Cl)cc(Oc2ccc(o2)C(=O)NCCN2CCCCC2)c1

BDBM55498

Clc1ccc(CN=Nc2nc(Cl)nc3ccccc23)cc1 |w:7.7|

BDBM55319

Clc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccco2)cc1

BDBM51768

Clc1ccc(CSc2nnc(SCC(=O)NN=Cc3c[nH]c4ccccc34)s2)cc1 |w:16.15|

BDBM55814

Clc1ccc(Cl)c(c1)-c1ccc(C=C2C(=O)NC(=O)NC2=O)[nH]1 |(3.08,4.19,;4.61,4.35,;5.24,5.76,;6.77,5.92,;7.67,4.68,;9.21,4.84,;7.05,3.27,;5.52,3.11,;7.95,2.02,;9.49,2.02,;9.97,.56,;8.72,-.35,;8.72,-1.89,;10.06,-2.66,;10.06,-4.2,;8.72,-4.97,;11.39,-4.97,;12.72,-4.2,;14.06,-4.97,;12.72,-2.66,;11.39,-1.89,;11.39,-.35,;7.48,.56,)|

BDBM55746

Clc1ccc(Cl)c(c1)S(=O)(=O)n1ccnc1

BDBM51825

Clc1ccc(Cn2cccc2CN(CCCN2CCCC2)C(=S)Nc2cccc(Cl)c2)cc1

BDBM55529

Clc1ccc(NC(=S)N2CCN(CCN3C(=O)c4cccc5cccc(C3=O)c45)CC2)cc1

BDBM55727

Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1

BDBM55600

Clc1ccc(OCCCC(=O)NN=Cc2ccccc2)c(Cl)c1

BDBM37224

Clc1ccc(OCc2nnc(o2)-c2ccccc2Br)c(Cl)c1

BDBM41034

Clc1ccc(c(Cl)c1Cl)-c1cc(C(=O)OCC(=O)N2CCN(CC2)C(=O)c2ccco2)c2ccccc2n1

BDBM55697

Clc1ccc(cc1)C(=O)C1CCCN(Cc2ccc3nonc3c2)C1

BDBM55556

Clc1ccc(cc1)C(=O)COC(=O)c1ccc2C(=O)N(C(=O)c2c1)c1cccc2ncccc12

BDBM55617

Clc1ccc2=NC(=O)C(NNC(=O)c3cc(nc4ccccc34)-c3cccs3)=c2c1 |c:30,t:4|

BDBM55730

Clc1ccc2nc(cc(C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)c2c1)-c1ccncc1

BDBM55914

Clc1cccc(CNC(=O)c2ccc(cc2)-c2csnn2)c1

BDBM55253

Clc1cccc(NC(=O)COC(=O)c2ccccn2)c1

BDBM55509

Clc1ccccc1-c1ccc(\C=C2/N=C(OC2=O)c2cccs2)o1 |c:14|

BDBM55590

Clc1ccccc1-c1nc2nc3ccccc3nc2n1-c1ccc2OCOc2c1

BDBM55361

Clc1ccccc1-n1c(CSc2nnnn2-c2ccccc2)nc2ccccc2c1=O |(5.52,-1.78,;5.52,-3.32,;4.18,-4.09,;4.18,-5.63,;5.52,-6.4,;6.85,-5.63,;6.85,-4.09,;8.18,-3.32,;8.18,-1.78,;6.85,-1.01,;6.85,.53,;5.52,1.3,;4.11,.67,;3.08,1.82,;3.85,3.15,;5.36,2.83,;6.5,3.86,;7.97,3.39,;9.11,4.42,;8.79,5.92,;7.32,6.4,;6.18,5.37,;9.52,-1.01,;10.85,-1.78,;12.23,-.96,;13.62,-1.75,;13.62,-3.35,;12.23,-4.14,;10.85,-3.32,;9.52,-4.09,;9.52,-5.63,)|

BDBM55739

Clc1ccccc1Cc1noc(CN2CCN(CC2)c2cnccn2)n1

BDBM55669

Clc1ccccc1NC(=O)CNC(=O)C1CCCCC1

BDBM55772

Clc1ccccc1NC(=S)N(CCC#N)Cc1cccnc1

BDBM55389

Clc1ncccc1C(=O)Nc1ccc(cc1)N1CCCCC1

BDBM55200

Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CCOCC1

BDBM55429

Cn1c(OCc2ccc3OCOc3c2)nc2n(C)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)c12

BDBM55184

Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccc(cc1)S(=O)(=O)N1CCOCC1

BDBM44899

Cn1c(cc2oc3ccccc3c12)C(=O)NCc1ccccc1

BDBM51234

Cn1c2ccc(N3CCCCC3)c3C(=O)c4ccccc4-c(cc1=O)c23

BDBM55311

Cn1c2ccc(cc2c(=O)n(C)c1=O)S(=O)(=O)Nc1ccc2OCOc2c1

BDBM55580

Cn1c2ccccc2c(=O)c2c1nc(C1CCCCC1)n(C1CCCCCC1)c2=O

BDBM37342

Cn1c2cn(C3CCCCC3)c(-c3ccccc3)c2c(=O)n(C)c1=O

BDBM55874

Cn1c2nc(SCCN3CCCC3)[nH]c2c(=S)n(C)c1=O

BDBM55724

Cn1cc(\C=C(/C#N)C(=O)Nc2cccc(c2)[N+]([O-])=O)c2ccccc12

BDBM55330

Cn1cccc1Cc1nnc(SCC(N)=O)n1CCc1ccccc1

BDBM55766

Cn1ccnc1C(O)(c1nccn1C)c1ccccc1

BDBM55823

Cn1cnnc1SCC(=O)Nc1ccc(cc1)N1CCOCC1

BDBM36862

Cn1nc(CC(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2c1=O

BDBM55637

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

BDBM55383

Cn1nc(c(CSc2ccccc2)c1Cl)-c1ccccc1

BDBM55388

Cn1nc(c(CSc2ccccc2Cl)c1Cl)-c1ccccc1

BDBM55221

Cn1ncc(N=Cc2ccccc2O)c1C(=O)N1CCOCC1 |w:5.4|

BDBM45319

Cn1nccc1C(=O)Nc1ccccc1C(O)=O

BDBM55646

FC(F)(F)CNC(=O)CSc1nc(C2CCCCC2)n(n1)-c1ccccc1

BDBM55798

FC(F)(F)c1ccc2N3CCCC3CNc2c1

BDBM55251

FC(F)(F)c1cccc(CC(=O)OCC(=O)NCC2CCCO2)c1

BDBM51829

FC(F)(F)c1cccc(NC(=S)N(CCCN2CCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1

BDBM55924

FC(F)(F)c1ccccc1-n1c(=O)[nH][nH]c1=S |(3.64,-2.13,;4.41,-.8,;3.08,-.03,;5.18,.53,;5.75,-1.57,;5.75,-3.11,;7.08,-3.88,;8.41,-3.11,;8.41,-1.57,;7.08,-.8,;7.08,.74,;5.84,1.64,;4.37,1.17,;6.31,3.11,;7.85,3.11,;8.33,1.64,;9.79,1.17,)|

BDBM55505

FC(F)(F)c1cnc(c(Cl)c1)C(C#N)(N1CCOCC1)c1ccccc1

BDBM55828

FC(F)Oc1ccc(\C=C\C(=O)OCC(=O)NCCN2C(=O)CSC2=O)cc1

BDBM55323

Fc1c(F)c(F)c(C(=O)Nc2ccc3OCCOc3c2)c(F)c1F

BDBM55278

Fc1ccc(CC(=O)N(C2CS(=O)(=O)C=C2)c2ccc(F)cc2)cc1 |c:14|

BDBM55318

Fc1ccc(CSc2nncn2NCc2ccc3OCOc3c2)cc1

BDBM55925

Fc1ccc(Cc2cc(n[nH]c2=O)-c2ccc(F)cc2)cc1

BDBM55808

Fc1ccc(NCCC(=O)c2cc3ccccc3o2)cc1

BDBM44593

Fc1ccc(OCc2nc(C#N)c(o2)N2CCC(Cc3ccccc3)CC2)cc1

BDBM55857

Fc1ccc(\C=C\C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)cc1

BDBM55713

Fc1ccc(c(F)c1)-n1cnc2cc(ccc12)C(=O)N1CCC2(CC1)OCCO2

BDBM50031034

Fc1ccc(cc1)-c1cc2C(=O)c3ccccc3-c2nn1

BDBM55206

Fc1ccc(cc1)C(=O)NC1CCN(CC(=O)NCc2ccccc2F)CC1

BDBM47597

Fc1ccc(cc1)C(=O)Nc1ccc2c(C#N)c3nc4ccccc4nc3n2c1

BDBM55563

Fc1ccc(cc1)C(N(CCc1ccccc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)NC1CCCCC1

BDBM48663

Fc1ccc(cc1)N=Nc1c(CSc2ccccn2)[nH]n(-c2ccccc2)c1=O |w:8.9|

BDBM55273

Fc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)NCC1CCCO1

BDBM53769

Fc1ccc2NC(=O)C3(Nc4ccccc4-c4nnc(SCc5ccccc5F)nc4O3)c2c1

BDBM55787

Fc1cccc(Cl)c1C(=O)NCc1nnc(SCC(=O)Nc2ccc3OCOc3c2)o1

BDBM55795

Fc1ccccc1-c1nnc(NC(=O)c2cccnc2)s1

BDBM55788

Fc1ccccc1N1CCN(CC1)C(CNC(=O)C(=O)NCc1ccccc1)c1ccco1

BDBM38875

N#CC(C#N)=c1ccc2=NC3(CCCCC3)Nc2c1 |t:8,(7.69,6.11,;6.92,4.78,;6.16,3.44,;4.62,3.43,;3.08,3.43,;6.94,2.11,;8.54,2.11,;9.33,.71,;8.51,-.66,;8.98,-2.13,;7.74,-3.03,;9.07,-3.8,;9.07,-5.34,;7.74,-6.11,;6.4,-5.34,;6.4,-3.8,;6.49,-2.13,;6.97,-.66,;6.14,.71,)|

BDBM55829

N#C\[#6](C#N)=[#6]-1/[#6]-[#6]-[#6]-2-[#6]-[#6]-[#6](=[#6]-[#6]-2=[#6]-1)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 |c:11,14|

BDBM33054

N#Cc1cc(nn1-c1ccccc1)-c1ccccc1

BDBM51661

N=C1OC23CCCCC2C1(C#N)C(CO3)(C#N)C#N |THB:0:1:8:14.12.13|

BDBM55413

N=C1OC2=C(CN(Cc3ccccc3)CC2=Cc2cccnc2)C(C1C#N)c1cccnc1 |w:16.18,t:3|

BDBM55238

NC(=O)C1CCN(CC1)c1oc(nc1C#N)-c1ccc(OCc2ccccc2)cc1

BDBM55369

NC(=O)C1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1

BDBM55297

NC(=O)CCn1c2ccccc2oc1=O

BDBM51854

NC(=[NH2+])SCc1cn(nc1-c1ccc(Br)cc1)-c1ccccc1

BDBM55894

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

BDBM55403

NCCNc1nc(-c2ccccc2)c2CCCCc2c1C#N

BDBM50727

NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C3CCS(=O)(=O)C3)C2=O)o1

BDBM50308

Nc1c(O)ccc2C(=O)c3ccccc3C(=O)c12

BDBM55794

Nc1c(ccc2C(=O)c3ccccc3C(=O)c12)C(O)=O

BDBM55203

Nc1c(nnn1Cc1ccccc1)C1=NCCO1 |t:15|

BDBM50619

Nc1cc(C(O)=O)c(N)c2C(=O)c3ccccc3C(=O)c12

BDBM55878

Nc1cc(Cl)ccc1-n1c(O)ccc1O |(3.91,.36,;5.24,-.41,;5.24,-1.95,;6.57,-2.72,;6.57,-4.26,;7.91,-1.95,;7.91,-.41,;6.57,.36,;6.57,1.9,;5.33,2.8,;3.86,2.32,;5.8,4.26,;7.34,4.26,;7.82,2.8,;9.28,2.32,)|

BDBM55276

Nc1cc(ccc1Nc1ccc(F)c(F)c1)C(O)=O

BDBM44460

Nc1ccc(Br)c2C(=O)c3ccccc3C(=O)c12

BDBM48866

Nc1ccc(N)c(c1)C(O)=O

BDBM50637

Nc1ccc(N)c2c(O)c3ccccc3c(O)c12

BDBM50094893

Nc1ccc(O)c2C(=O)c3ccccc3C(=O)c12

BDBM55204

Nc1ccc(cc1)-n1nnnc1-c1ccco1

BDBM34904

Nc1ccc2OC3(CCCCC3)Oc2c1

BDBM55456

Nc1ccccc1-c1nnc(o1)-c1ccc(cc1)-c1ccccc1

BDBM55786

Nc1nc(CCOc2ccc(F)cc2)cs1

BDBM55898

Nc1nc(NCc2ccco2)nc(Nc2ccccc2)c1[N+]([O-])=O

BDBM55232

Nc1nc2NC(CC(c3ccco3)n2n1)c1ccccc1

BDBM55544

Nc1ncc(cn1)-c1ccc(cc1)[N+]([O-])=O

BDBM55446

Nc1nnc(SCC(=O)c2ccc3ccccc3c2)s1

BDBM55248

Nn1c(SCc2nc3ccccn3c2Br)nnc1-c1cccnc1

BDBM55400

O=C(C1CN(C2CCCCCCC2)C(=O)C1)N1CCC2(CC1)OCCO2

BDBM55223

O=C(CC(N1C(=O)c2ccccc2C1=O)c1ccccc1)[CH-][N+]#N

BDBM55737

O=C(CCCc1ccccc1)N1CCCC(CCC(=O)N2CCN(CC2)c2ccccn2)C1

BDBM55321

O=C(CN1CCOCC1)NCc1ccccc1

BDBM55771

O=C(CNC(=S)N(CCCN1CCOCC1)Cc1cccs1)NC1CCCC1

BDBM55265

O=C(COC(=O)C1=COCCO1)c1ccc(cc1)S(=O)(=O)N1CCCC1 |t:6|

BDBM55393

O=C(COc1ccc(cc1)S(=O)(=O)N1CCCCC1)NCc1cccnc1

BDBM55468

O=C(COc1ccc2ccccc2c1)N1CCN(Cc2ccncc2)CC1

BDBM55409

O=C(COc1ccccc1)Nc1nnc(o1)-c1ccc2CCCCc2c1

BDBM55209

O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc2ccccc2s1

BDBM41037

O=C(CSc1ccc2-c3ccccc3C(=O)c3cccc1c23)Nc1cccc(c1)C#N

BDBM55376

O=C(CSc1nc(c[nH]1)-c1ccccc1)Nc1ccccc1

BDBM55534

O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCc2ccccc12

BDBM55510

O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1ccc2OCOc2c1

BDBM55513

O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccs1

BDBM55208

O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)N1CCOCC1

BDBM55690

O=C(CSc1nnc(SCc2ccccc2)s1)NN=Cc1c[nH]c2ccccc12 |w:18.19|

BDBM55325

O=C(CSc1nnc(o1)C1COc2ccccc2O1)Nc1nccs1

BDBM31754

O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(n1)-c1ccccc1

BDBM55415

O=C(Cc1cccs1)N(Cc1ccco1)C1(CCCCC1)C(=O)NC1CCCCC1

BDBM55327

O=C(Cn1cc2CCCCCc2n1)NCc1ccccn1

BDBM39885

O=C(Cn1cc2CCCCc2n1)NCc1ccccn1

BDBM40893

O=C(N1C(=O)c2cccc3cccc1c23)c1ccco1

BDBM55653

O=C(N1CCN(CC1)C1CCCCC1)c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1

BDBM55736

O=C(N1CCN(Cc2nc(Cc3ccccc3)no2)CC1)c1ccco1

BDBM55340

O=C(N1CCc2ccccc12)c1cccc(n1)C(=O)N1CCc2ccccc12

BDBM55195

O=C(NC1CCCCC1)N(Cc1nc2ccccc2c(=O)[nH]1)C1CCCC1

BDBM40308

O=C(NCCCN1CCCCCC1)C1CN(CCc2ccccc2)C(=O)C1

BDBM55291

O=C(NCCCN1CCCCCC1)c1ccc(cc1)N1CCCC1=O

BDBM55279

O=C(NCCN1CCOCC1)c1csc2CCCCc12

BDBM55566

O=C(NCCc1c[nH]c2ccccc12)C(=C/c1ccc(o1)N1CCCCC1)\C#N

BDBM42176

O=C(NCc1ccccc1)C1CCCN1S(=O)(=O)c1cccc2cccnc12

BDBM55824

O=C(NCc1ccccn1)C(=O)C1C(=O)Nc2ccccc12

BDBM55275

O=C(NCc1cccnc1)c1cc(on1)-c1cccs1

BDBM55287

O=C(NCc1ccco1)c1ccc(Cn2c(=O)n(Cc3ccccc3C#N)c3ccccc3c2=O)cc1

BDBM55684

O=C(NCc1nc2ccccc2[nH]1)C1CCCCC1

BDBM55817

O=C(NN=C1CCOC1=O)c1cccnc1 |w:3.2|

BDBM55895

O=C(N\N=C1/C(=O)N(C2OC(=O)c3ccccc23)c2ccccc12)c1ccco1

BDBM55342

O=C(Nc1ccc(cc1)N1CCOCC1)c1ccc(cc1)S(=O)(=O)N1CCCCC1

BDBM55377

O=C(Nc1ccc2OCCOc2c1)c1cnccn1

BDBM55366

O=C(Nc1ccc2nc([nH]c2c1)-c1ccccn1)C1CCCCC1

BDBM55368

O=C(Nc1ccc2oc(=O)ccc2c1)c1cc2ccccc2o1

BDBM55493

O=C(Nc1cccc(c1)-c1cn2ccccc2n1)C1CC1

BDBM41084

O=C(Nc1cccc(c1)-c1cn2ccccc2n1)c1cc2ccccc2oc1=O

BDBM55790

O=C(Nc1nc(cs1)-c1ccncc1)\C=C\c1ccccc1

BDBM55308

O=C(Oc1ccccc1)c1cccc2cccnc12

BDBM55854

O=C([N-]c1ccc[n+](c1)-c1nc2ccccc2nc1C(C#N)C#N)c1ccccc1

BDBM55851

O=C([N-]c1ccc[n+](c1)-c1nc2ccccc2nc1C(C#N)C#N)c1cccs1

BDBM55663

O=C(\C=C\c1ccc2OCOc2c1)c1ccc[nH]1

BDBM55882

O=C1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c1cccs1

BDBM55262

O=C1N(CCCCSc2nnc3ccccn23)C(=O)c2ccccc12

BDBM43620

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

BDBM50154

O=C1Oc2ccccc2C(=O)\C1=C\c1c[nH]c2ccccc12

BDBM34334

O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1

BDBM55190

O=S(=O)(N1CCCC1)c1ccc(cc1)-c1nnc(SCc2ccccc2)o1

BDBM55371

O=S(=O)(N1CCCCC1c1cccnc1)c1ccccc1

BDBM55717

O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc(o2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)-[#6](=O)-[#7]-1

BDBM50077

O=[#6]-1\[#6](=[#6]/c2cccn2-c2ccccc2)-[#6](=O)-c2ccccc-12

BDBM32289

O=[#6]-1\[#6](=[#6]\c2cn(-[#6]C#C)c3ccccc23)-[#6](=O)-c2ccccc-12

BDBM55702

O=c1[nH]c(C=Cc2cccc3ccccc23)nc2ccccc12 |w:5.5|

BDBM37386

O=c1[nH]c2ccc(cc2o1)S(=O)(=O)Nc1ccc(cc1)-c1nnc2CCCCCn12

BDBM32331

O=c1c2c(csc2nc2c3ccccc3c(NCCN3CCOCC3)nn12)-c1ccccc1

BDBM55711

O=c1cnnc(N=NCc2c[nH]c3ccccc23)[nH]1 |w:7.7|

BDBM34233

O=c1n([se]c2ccccc12)-c1ccccc1

BDBM38361

O=c1n(sc2ccccc12)-c1ccc(cc1)S(=O)(=O)N1CCCC1

BDBM34960

O=c1n(sc2ccccc12)-c1nccs1

BDBM50891

O=c1oc2ccccc2cc1-c1nc(cs1)-c1cccs1

BDBM41524

OC(=O)C(\NC(=O)c1cccc2ccccc12)=C/c1ccco1

BDBM55410

OC(=O)C1CCCCC1C(=O)NCCCn1ccnc1

BDBM55215

OC(=O)C1CCCN1c1ncccn1

BDBM55835

OC(=O)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCOCC1

BDBM55657

OC(=O)C1CSC(N1C(=O)c1ccc(Cl)cc1)c1ccccc1Cl

BDBM55929

OC(=O)CCCC(=O)NCc1c(Cl)cccc1Sc1ccc(Cl)cc1

BDBM55802

OC(=O)CNc1ncccc1[N+]([O-])=O

BDBM55345

OC(=O)COc1ccc(cc1)S(=O)(=O)c1ccc(OCC(O)=O)cc1

BDBM50671

OC(=O)c1ccc(C=C(C#N)c2nc3sc4CCCCc4c3c(=O)[nH]2)cc1 |w:7.6|

BDBM55334

OC(=O)c1ccc(Cl)c2NC(C3CC=CC3c12)c1ccccn1 |c:13|

BDBM55704

OC(=O)c1cccc(NC(=O)C(\NC(=O)c2cccc3ccccc23)=C/c2ccccc2)c1

BDBM55753

OC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(cc2)[N+]([O-])=O)cc1

BDBM55449

OC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1

BDBM55840

OC(=O)c1csc(n1)-c1ccc(Cl)cc1

BDBM55362

OC(CNCC1CCCO1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12

BDBM55735

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

BDBM55565

OC(Cn1c2ccccc2c2ccccc12)C[n+]1cccc2cccc(O)c12

BDBM55463

OC([C@@H]1CCCN1)(c1ccc(F)cc1)c1ccc(F)cc1

BDBM55268

OC(c1c[nH]c2ccccc12)c1ccccn1

BDBM55218

OCC1(CO)COC2(CCCC2)N1

BDBM55681

OCCC1CN(Cc2ccc(cc2)N2CCNC2=O)CCN1C1CCCCC1

BDBM55187

OCCCCNc1cccc2ccccc12

BDBM55682

OCCCCn1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(CCCCO)c3=O

BDBM50847

OCCCN1C(=O)C2=C(SCCS2)C1=O |t:7|

BDBM55408

OCCCn1c(\C=C\c2ccc(o2)[N+]([O-])=O)nc2ccccc2c1=O

BDBM53911

OCCN(CCO)CCCNc1cccc2C(=O)c3ccccc3C(=O)c12

BDBM55881

OCCn1c2ccccc2nc2ccc(cc12)=[N+]1CCOCC1 |(3.45,13.18,;3.45,11.7,;4.73,10.96,;4.73,9.48,;3.45,8.74,;2.13,9.54,;.79,8.78,;.79,7.24,;2.13,6.48,;3.45,7.27,;4.73,6.53,;6.01,7.27,;7.34,6.48,;8.68,7.24,;8.68,8.78,;7.34,9.54,;6.01,8.74,;9.95,9.52,;9.95,11,;11.23,11.74,;12.51,11.01,;12.51,9.53,;11.24,8.79,)|

BDBM55533

Oc1c(cc(Cl)c2cccnc12)C(NC(=O)c1cccnc1)c1ccc(Cl)cc1

BDBM44525

Oc1c(ccc2ccccc12)N=Nc1ccccn1 |w:11.12|

BDBM55516

Oc1cc(OCC(=O)c2ccc(F)cc2)cc2oc(cc(=O)c12)-c1ccccc1

BDBM50213

Oc1cc2ccccc2cc1C(=O)N\N=C1/C(=O)N(Cc2ccccc2)c2ccccc12

BDBM48424

Oc1ccc(NC(=O)C2CCC=CC2)cc1 |c:11|

BDBM47978

Oc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|

BDBM55447

Oc1ccc(Nc2nc3ccccc3nc2Nc2ccc(O)cc2)cc1

BDBM55360

Oc1ccc(cc1)C(=O)NNS(=O)(=O)c1ccccc1[N+]([O-])=O

BDBM55412

Oc1ccc(cc1)N1C(=O)\C(=C\c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:23|

BDBM50923

Oc1ccc2C(=O)N(Cc3ccccc3)C(=O)c3cccc1c23

BDBM55877

Oc1ccc2ccccc2c1N=Nc1nccs1 |w:11.12|

BDBM45077

Oc1ccccc1C(=O)NNC(=O)CN1C(=O)S\C(=C/c2ccc(Cl)cc2)C1=O

BDBM31717

Oc1ccccc1C(=O)\N=N\c1ccc(NOC(=O)c2ccccc2)cc1

BDBM55525

Oc1ccccc1N1CCN(CC1)C(=S)NCCc1ccccc1

BDBM55430

Oc1oc(nc1C=Nc1ccccc1)-c1ccccc1 |w:7.8|

BDBM34548

S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N

BDBM46562

SC1=NC(=O)C(S1)=Cc1c([nH]c2ccccc12)-c1ccccc1 |w:7.8,t:1|

BDBM55750

Sc1nnc(NCCc2ccccc2)s1

BDBM55283

[#6]-[#6]-1=[#6]\[#6](-[#6]=[#6](-[#6])-[#8]-1)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O |t:1,4|

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|

BDBM55594

[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]/[#6]=[#6](\C#N)C#N)-c2ccccc-12 |c:7|

BDBM55439

[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]\[#6]=[#6](/C#N)-[#6](=O)-[#8]-[#6]-[#6])-[#6]=[#6]-1 |c:7,20|

BDBM55634

[#6]-[#6]-[#7](-[#6]-[#6])-[#6]-1=[#6]-[#6]-2=[#6]\[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1)=[#6](/C#N)C#N |t:5,7|

BDBM55628

[#6]-[#6]-[#7](-[#6]-c1ccccc1)-c1ccc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])cc1 |w:15.16|

BDBM55629

[#6]-[#6]-[#8]-c1cc(-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])ccc1-[#8]-[#6]-c1ccc(Cl)cc1 |w:7.7|

BDBM43249

[#6]-[#6]-n1cc(\[#6]=[#6]-2/[#6](=O)-c3ccccc3-[#6]-2=O)c2ccccc12

BDBM55391

[#6]-[#6]\[#6](=[#6](/c1ccc(-[#8]-[#6])cc1)-c1ccc(-[#8]-[#6])cc1)-c1cn(-[#6]-[#6](-[#8])-[#6]-[#7]-2-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-2)c2ccccc12

BDBM55712

[#6]-[#6]\[#7+](-[#6]-[#6])=[#6]-1/[#7-]S(=O)(=O)c2cc(ccc-12)-[#7+](-[#8-])=O

BDBM46798

[#6]-[#7]-1-[#6](=O)-[#7](-[#6])-[#6](=O)\[#6](=[#6]\c2sc(=O)n(c2-[#7]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2)-c2ccccc2)-[#6]-1=O

BDBM55781

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#7]-[#6](=O)-[#6]-[#7](-c1ccc(F)cc1)S(=O)(=O)c1ccc(-[#6])cc1

BDBM55912

[#6]-[#7]1-c2ccccc[c+]2-[#7](-[#6])C11[#6](=[#6]\[#6](-[#6]=[#6]1-[#7+](-[#8-])=O)=[#7+](\[#8-])-[#8-])-[#7+](-[#8-])=O |c:14,17|

BDBM55723

[#6]-[#8]-[#6]-1=[#6]\[#6](=[#6]/[#7]-[#7]-[#6](=O)-c2ccc(-[#6]-[#7]3-c4cccc5cccc(c45)S3(=O)=O)cc2)-[#6]=[#6](-[#8]-[#6])-[#6]-1=O |t:2,35|

BDBM55830

[#6]-[#8]-c1ccc(-[#16]\[#7]=[#6]-2/[#6](-[#6])=[#6]-[#6](=O)-[#6]=[#6]-2-[#6])cc1 |c:10,14|

BDBM55554

[#6]-[#8]-c1ccc2-c3ccc(-[#8]-[#6])cc3\[#6](=[#7]\[#7]-[#6](=O)-c3ccccn3)-c2c1

BDBM55568

[#6]=[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](=[#6]/[#6]=[#6](\C#N)C#N)-c2ccccc-12 |c:4|

BDBM55833

[#6]C1([#6])[#6]-[#6](=[#6]\[#6](-[#6]1)=[#7+]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-c1ccccc1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 |c:4|

BDBM55867

[#7]-[#6](=O)-[#6](\C#N)=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1

BDBM55517

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

BDBM46560

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

BDBM55892

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

BDBM55630

[Br-].Cc1sc2cc3-c4cccc5cccc(-c3c(C(=O)c3ccccc3)[n+]2c1C)c45

BDBM55382

[Cl-].CCCCc1cn(nn1)[C@@H](CCCC[NH3+])C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)n1cc(CCO)nn1

BDBM55875

[H]C12C3c4ccccc4C4([H])C([N+]([O-])=O)C([H])(N1C)C([H])(c1ccccc21)C3([H])N4C |TLB:17:15:29:2.3.8,29:27:17.15:21.26,1:2:29:19.15.11,21:19:17.2.1:29.11.9,21:19:29:2.3.8,26:1:19:29.11.9,3:2:17.15:21.26,8:9:19:17.2.1,THB:30:29:19:17.2.1,18:17:19:29.11.9,7:8:29:19.15.11,12:11:19:17.2.1,12:11:29:2.3.8,3:2:19:29.11.9|

BDBM55879

[H]C12C=CC([H])(C3C1C(=O)N(NC(=O)c1ccccc1Cl)C3=O)C21CC1 |c:2,TLB:8:7:23:3.2,THB:21:6:23:3.2|

BDBM55815

[H]C12C=CC([H])(C3C4C(C13)C(=O)N(C4=O)c1ccc(O)cc1)C1C2C(=O)N(C1=O)c1ccc(O)cc1 |c:2,TLB:27:22:9.6:2.3,THB:24:23:9.6:2.3|

BDBM55324

[H]C12CC(C)(CN1C(=O)c1ccc(OC)cc1)CC(C)(C)C2 |TLB:7:6:2:18.17.21|

BDBM32879

[H]C12CC(C)(Oc3c(OCC)cccc13)N(Cc1ccccc1)C(=O)N2 |TLB:16:15:2:5.14.6,THB:13:14:2:15.25.23|

BDBM55862

[H]C12CC([H])(N(O1)C(C)(C)C)c1nc3ccccc3n1C2 |THB:12:11:6.5:2,7:5:2:19.20.11,18:19:6.5:2|

BDBM55423

[H]C12CC3(C)CC(C)(C1)CC(CN1CCOCC1)(C2)C3 |TLB:8:1:19:6.9.5,THB:2:3:9:1.18.8,2:1:9:3.19.5,4:3:9:1.18.8,7:6:19:1.18.2|

BDBM55460

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NNC(=O)c1ccoc1C |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|

BDBM51847

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(OCC(O)CN2CCN(C)CC2)cc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|

BDBM34184

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)n1cc(NC(=O)c2cnn3c(cc(nc23)-c2ccco2)C(F)(F)F)cn1 |TLB:5:3:11:6.9.8,8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|

BDBM55489

[H]C12CCC([H])(CC(C1)NC(=S)Nc1ccc(C)cc1C)N2Cc1ccco1

BDBM55343

[H]C12CCC([H])(O1)C(C2C(O)=O)C(=O)Nc1cc(OC)ccc1OC |TLB:12:7:6:3.2,THB:9:8:6:3.2|

BDBM55490

[H]C12CCCC([H])(CC(C1)NC(=S)NC)N2CC(C)C

BDBM55576

[H]C12CCN(CC1)c1sc(N\C=C3/C=CC(=CC3=O)N(CC)CC)c(C#N)c21 |c:14,16,TLB:8:7:2.3:6.5,THB:24:27:2.3:6.5|

BDBM55355

[H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]11OC(=O)C=C[C@H](O)CCC[C@@H](C)CC=C[C@@]1([H])[C@H](O)C(=C)[C@H]2C

BDBM55767

[O-][N+](=O)\C=C/c1ccc(N2CCCC2)c(F)c1

BDBM55910

[O-][N+](=O)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)-c1csc(Nc2ccccc2)n1

BDBM55619

[O-][N+](=O)c1cc(ccc1N=NCc1cn(nc1-c1ccccc1)-c1ccccc1)C#N |w:9.9|

BDBM50526

[O-][N+](=O)c1cc(ccc1[NH+]=N[c-]1c(=O)[nH]c(=S)[nH]c1=O)-c1ccccc1 |w:9.9|

BDBM47599

[O-][N+](=O)c1ccc(C=C[C-]2CC(c3ccco3)[N+](=N2)c2ccccc2)cc1 |w:8.8,c:18|

BDBM55779

[O-][N+](=O)c1ccc(CC(=O)Nc2ccc(Cl)cc2)cc1

BDBM55936

[O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc1ccccc1

BDBM55635

[O-][N+](=O)c1ccc(F)c(NC(=O)c2cccs2)c1

BDBM55479

[O-][N+](=O)c1ccc(N=NCc2cccn2-c2ccccc2)nc1 |w:8.8|

BDBM50104

[O-][N+](=O)c1ccc(cc1)-c1ccc([CH+]\N=[NH+]\[c-]2c3ccccc3[n-]c2=O)o1

BDBM55524

[O-][N+](=O)c1ccc(cc1)-c1cncn1CC(=O)Nc1cccc2ccccc12

BDBM54926

[O-][N+](=O)c1ccc(cc1)-n1[nH]c(=O)c2ccccc2c1=O

BDBM55755

[O-][N+](=O)c1ccc(cc1)C(=O)NNc1cc(nc(n1)N1CCOCC1)N1CCOCC1

BDBM55695

[O-][N+](=O)c1ccc(cc1)\[NH+]=C\[c-]1c2ccccc2ccc1=O

BDBM34729

[O-][N+](=O)c1ccc2c(NC3(CCCCC3)[N+]2=O)c1[N-]C1CCCCC1

BDBM34843

[O-][N+](=O)c1ccc2c(NC3(CCCCC3)[N+]2=O)c1[N-]CCc1ccccc1

BDBM50649

[O-][N+](=O)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccncc5)cc4)c(c3)[N+]([O-])=O)c2c1

BDBM55876

[O-][N+](=O)c1ccc2nccc(Nc3ccc(cc3)C(=O)Nc3ccc(Nc4ccncc4)cc3)c2c1

BDBM55507

[O-][N+](=O)c1ccc2sc(cc2c1)C(=O)N\N=C\c1cccc2ccc(OCC=C)cc12

BDBM55890

[O-][N+](=O)c1cccc(NC(=O)C2C3CC\C=C/CCC23)c1 |c:15|

BDBM55887

[O-][N+](=O)c1cccc(NC(=O)c2cccc(c2)C(=O)Nc2cccc(c2)[N+]([O-])=O)c1

BDBM55547

[O-][N+](=O)c1ccccc1-c1ccc([CH+]c2c([n-]oc2=O)-c2ccccc2)o1

BDBM55710

[O-][N+](=O)c1ccccc1OCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1

BDBM55770

[O-][N+](=O)c1cnc(NC(=O)CCc2ccccc2)s1

BDBM50330

[O-][n+]1ccccc1SCC(=O)Nc1cc2C(=O)c3ccccc3C(=O)c2cc1Cl

BDBM50552

c1ccc(cc1)-c1ccc(cc1)-c1n(-c2ccccn2)c2ccccc2[n+]1-c1ccccn1

BDBM55336

c1ccc2[nH]c(nc2c1)-c1ccnc2ccccc12

BDBM55759

c1ccc2[nH]c(nc2c1)-c1ccncc1

BDBM41012

c1nc2ccccc2n1-c1ccc(cc1)-c1ccnc(n1)-c1ccccc1

BDBM48904

c1nnc2c3ccccc3nc(-c3ccccc3)n12