SMILES for G-protein coupled receptor 55

CC(C)=CCC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@]21C |r,wU:12.12,6.6,8.8,14.15,wD:17.18,28.33,6.5,(7.26,-25.92,;7.27,-24.39,;8.61,-23.64,;5.95,-23.62,;5.97,-22.09,;4.62,-21.3,;3.28,-22.08,;3.27,-20.55,;3.27,-23.63,;4.61,-24.41,;1.92,-24.4,;.59,-23.61,;.6,-22.07,;.59,-20.54,;1.94,-21.31,;1.95,-19.76,;.6,-18.98,;-.73,-19.75,;-2.2,-19.27,;-3.1,-20.54,;-2.21,-21.78,;-3.12,-23.02,;-4.58,-22.54,;-5.91,-23.31,;-7.23,-22.54,;-7.23,-21.01,;-5.91,-20.24,;-4.58,-21,;-.73,-21.3,;-.75,-22.83,)|

BDBM50448073

CC(C)=CCC[C@]1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O |r,wU:30.34,39.45,37.42,32.37,13.14,11.11,6.6,8.33,wD:35.40,16.17,27.32,6.5,(20.66,-6.65,;19.17,-6.25,;18.78,-4.76,;18.09,-7.35,;16.6,-6.94,;15.51,-8.04,;14.03,-7.64,;14.78,-6.3,;14,-9.19,;12.65,-9.94,;11.33,-9.15,;11.35,-7.61,;11.35,-6.07,;12.7,-6.86,;12.71,-5.32,;11.38,-4.53,;10.05,-5.29,;8.59,-4.81,;7.68,-6.06,;8.57,-7.31,;7.68,-8.55,;6.21,-8.08,;4.87,-8.86,;3.54,-8.09,;3.54,-6.54,;4.87,-5.77,;6.21,-6.53,;10.04,-6.84,;10.02,-8.37,;15.33,-9.98,;15.37,-11.51,;14.06,-12.32,;14.1,-13.84,;12.79,-14.65,;11.44,-13.92,;15.45,-14.58,;15.48,-16.11,;16.75,-13.78,;18.1,-14.51,;16.71,-12.24,;18.02,-11.44,)|

BDBM50448075

CC(C)=C[C@H]1C[C@]2(C)[C@H](CC[C@@]3(C)[C@H]2CC[C@H]2Cc4c([nH]c5ccccc45)[C@]32C)O1 |r,wU:11.11,6.6,8.33,13.14,wD:16.17,27.32,4.3,(32.2,-12.88,;30.67,-12.87,;29.92,-11.54,;29.89,-14.18,;28.36,-14.17,;27.46,-12.9,;25.97,-13.36,;25.95,-11.85,;25.95,-14.93,;24.6,-15.69,;23.27,-14.91,;23.28,-13.37,;23.27,-11.84,;24.63,-12.61,;24.63,-11.06,;23.29,-10.28,;21.95,-11.05,;20.48,-10.57,;19.59,-11.84,;20.48,-13.08,;19.57,-14.32,;18.11,-13.84,;16.79,-14.61,;15.46,-13.84,;15.46,-12.31,;16.78,-11.54,;18.11,-12.3,;21.95,-12.6,;21.94,-14.13,;27.43,-15.42,)|

BDBM76091

CC(C)C(=O)N1CCN(CC1)c1nc(C)nc2sc3CCCCc3c12

BDBM61446

CC(C)C(NS(=O)(=O)c1ccc2nc(C)sc2c1)C(=O)Nc1nc2ccc(Cl)cc2s1

BDBM61097

CC(C)C(OC(C)=O)c1nc2ccccc2c(=O)n1C1CC2(OC1=O)C1N(O)C(C)(C)C(=O)N1c1ccccc21

BDBM61089

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

BDBM61088

CC(C)C1CCC(C)CC1OC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12

BDBM55768

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

BDBM61481

CC(C)CC(=O)NC(Oc1ccc(Cl)cc1)C(Cl)(Cl)Cl

BDBM61096

CC(C)CC1NC(=O)C23C1C(C)C(C)=CC2C=C(C)CCC(O)C(O)C=CC3=O |c:14|

BDBM57655

CC(C)CN1C(=O)\C(=N/NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)c2ccccc12

BDBM50500398

CC(C)CNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1

BDBM61563

CC(C)COc1ccc(C)cc1CN(CCCl)CCCl

BDBM64833

CC(C)COc1ccc(cc1)-c1nnc(o1)-c1ccc(Cl)nc1

BDBM61122

CC(C)C[C@@H](COc1ccccc1)N1CCN(CCc2ccccc2)CCC1=O

BDBM61108

CC(C)C[C@@H](CSc1ccc(Br)cc1)N1CCN(CC(C)C)CCC1=O

BDBM61110

CC(C)C[C@@H](CSc1ccc(Br)cc1)N1CCN(CCc2ccccc2)CCC1=O

BDBM61107

CC(C)C[C@@H](CSc1ccc(NC(C)=O)cc1)N1CCN(CCc2ccccc2)CCC1=O

BDBM61124

CC(C)C[C@@H](CSc1ccccc1)N1CCN(CC(C)C)CCC1=O

BDBM61123

CC(C)C[C@@H](CSc1ccccc1)N1CCN(CCc2ccccc2)CCC1=O

BDBM61588

CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OCc1ccccc1

BDBM61521

CC(C)C\N=C(\NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl

BDBM61457

CC(C)N(C(C)C)C(=O)CSc1nc2ccccc2n1-c1ccccc1

BDBM76074

CC(C)NC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N

BDBM61041

CC(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1

BDBM61130

CC(C)Oc1ccc(C=NNC(=O)c2nnn(c2CN2CCC(C)CC2)-c2nonc2N)cc1

BDBM61150

CC(C)Oc1ccc(cc1NC(=O)CCOc1ccccc1C)S(=O)(=O)N1CCOCC1

BDBM61147

CC(C)Oc1ccc(cc1NC(=O)c1ccc(cc1)N1CCCC1=O)S(=O)(=O)N1CCOCC1

BDBM61513

CC(C)c1cc(Cl)c(C)cc1OCC(=O)Nc1ccc(cc1)S(=O)(=O)NC1=NCCCCC1 |t:28|

BDBM61101

CC(C)c1cc(Nc2ccc(NC(C)=O)cc2)n2nc(C)c(-c3ccccc3)c2n1

BDBM50278476

CC(C)c1ccc(C)c2oc(=O)c(C)cc12

BDBM50278475

CC(C)c1ccc(C)c2oc(=O)c(Cc3ccccc3)cc12

BDBM50398212

CC(C)c1ccc(C)c2oc(=O)c(Cc3ccccc3O)cc12

BDBM61643

CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(cc2)C(O)=O)cc1

BDBM61516

CC(C)c1ccc(NC(=S)NN(c2ccccc2)c2ccccc2)cc1

BDBM50449586

CC(C)c1ccc(OCCCCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:22|

BDBM61067

CC(C)c1ccc(cc1)-c1csc2ncnc(Oc3cccc(NC(C)=O)c3)c12

BDBM61476

CC(N(C)C)c1ccccc1C(O)(c1ccccc1)c1ccc(C)cc1C

BDBM61511

CC(NC(=O)C(=C\c1ccc(Cl)c(c1)[N+]([O-])=O)\C#N)c1ccccc1

BDBM61401

CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1

BDBM61074

CC(Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc(c1)S(=O)(=O)N1CCOCC1

BDBM61428

CC12CNCC(C)(CN(C1)C(c1ccccc1)c1ccccc1)C2

BDBM61434

CC1=CC(C)(C)N2C(=O)C3(SCC(=O)N3c3ccc(F)cc3)c3cc(C)cc1c23 |t:1|

BDBM61408

CC1=CC(C)(C)N2C(=O)C3(SCC(=O)N3c3ccc(O)cc3)c3cc(C)cc1c23 |t:1|

BDBM61441

CC1=NOC(=O)\C1=C/c1ccc(o1)-c1cccc(Cl)c1 |t:1|

BDBM58435

CC1C(NC(C(C)C1=O)c1cc(Cl)ccc1O)c1cc(Cl)ccc1O

BDBM61433

CC1CC(N(C(=O)c2ccc(C)cc2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1

BDBM61429

CC1CC(N(C(=O)c2ccco2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1

BDBM64819

CC1CCCCN1c1ncnc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12

BDBM64821

CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccc(C)c(F)c3)c(C)c12

BDBM61647

CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12

BDBM57757

CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccccc3C(F)(F)F)c(C)c12

BDBM64820

CC1CCN(CC1)c1ncnc2sc(C(=O)Nc3ccc4OCCOc4c3)c(C)c12

BDBM61132

CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=C\C(C)=C/c2ccccc2)CC1

BDBM61145

CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2c(C)cc(C)cc2C)CC1 |w:20.21|

BDBM58496

CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2cc(Br)ccc2O)CC1 |w:20.21|

BDBM58631

CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2cc(Cl)ccc2O)CC1 |w:20.21|

BDBM76036

CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)C3CC3)c21

BDBM76040

CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccc4n(C)c(C)nc4c3)c21

BDBM76035

CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccccc3)c21

BDBM61535

CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccco3)c21

BDBM76042

CC1CCc2c(C1)sc1nc(C)nc(N3CCN(CC3)C(=O)c3ccncc3)c21

BDBM60247

CC1SC(=N)N(C1=O)c1ncc(Cc2cccc(C)c2)s1

BDBM44483

CCC(C)N1C(=S)S\C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)C1=O

BDBM61492

CCC(C)NS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1

BDBM60999

CCC(Nc1ccc(OC)cc1OC)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O |w:14.29|

BDBM64817

CCC(Sc1nc2ccsc2c(=O)n1Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccc(C)c(Cl)c1

BDBM64818

CCC(Sc1nc2ccsc2c(=O)n1Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccc(Cl)cc1

BDBM61046

CCCCC(=O)Nc1sc2c(CCC(C=O)=C2Cl)c1C(=O)OCC |c:15|

BDBM50398216

CCCCC1(CCCC1)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1

BDBM50398217

CCCCC1(CCCC1)c1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1

BDBM50398215

CCCCC1(CCCCC1)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1

BDBM50434881

CCCCC1(CCCCC1)c1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1

BDBM61478

CCCCC1(Cc2ccc(OC)c(c2)[N+]([O-])=O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1

BDBM61479

CCCCC1(Cc2cccc(c2)[N+]([O-])=O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1

BDBM50398222

CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1

BDBM50398220

CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1

BDBM50398223

CCCCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3)c(=O)oc2c1

BDBM50398221

CCCCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1

BDBM50398218

CCCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1

BDBM50398219

CCCCCCCC(C)(C)c1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1

BDBM50156120

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|

BDBM50561703

CCCCCN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21

BDBM50500388

CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O |r|

BDBM50434886

CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|

BDBM50318484

CCCCCc1cc(O)c([C@@H]2C=C(C)CC[C@H]2C(C)=C)c(O)c1 |r,t:11|

BDBM60994

CCCCCc1cc(O)c2[C@@H]3C=C(C)CC[C@H]3C(C)(C)Oc2c1 |r,t:11|

BDBM50398230

CCCCCc1cc(O)c2cc(Cc3cccc(C)c3)c(=O)oc2c1

BDBM50398224

CCCCCc1cc(O)c2cc(Cc3cccc(Cl)c3)c(=O)oc2c1

BDBM50398236

CCCCCc1cc(O)c2cc(Cc3cccc(O)c3)c(=O)oc2c1

BDBM50398234

CCCCCc1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1

BDBM50398232

CCCCCc1cc(O)c2cc(Cc3ccccc3C)c(=O)oc2c1

BDBM50398226

CCCCCc1cc(O)c2cc(Cc3ccccc3Cl)c(=O)oc2c1

BDBM50398228

CCCCCc1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1

BDBM50552130

CCCCCc1cc(O)cc(O)c1[C@@H]1C=C(C)CC[C@H]1C(C)=C |r,t:15|

BDBM50434888

CCCCCc1cc(OC)c2cc(Cc3cc(C)c(OC)c(C)c3)c(=O)oc2c1

BDBM50434882

CCCCCc1cc(OC)c2cc(Cc3ccc(Br)cc3)c(=O)oc2c1

BDBM50434883

CCCCCc1cc(OC)c2cc(Cc3ccc(Cl)cc3)c(=O)oc2c1

BDBM50434887

CCCCCc1cc(OC)c2cc(Cc3ccc(F)cc3)c(=O)oc2c1

BDBM50398231

CCCCCc1cc(OC)c2cc(Cc3cccc(C)c3)c(=O)oc2c1

BDBM50398225

CCCCCc1cc(OC)c2cc(Cc3cccc(Cl)c3)c(=O)oc2c1

BDBM50398237

CCCCCc1cc(OC)c2cc(Cc3cccc(OC)c3)c(=O)oc2c1

BDBM50398235

CCCCCc1cc(OC)c2cc(Cc3ccccc3)c(=O)oc2c1

BDBM50398233

CCCCCc1cc(OC)c2cc(Cc3ccccc3C)c(=O)oc2c1

BDBM50398227

CCCCCc1cc(OC)c2cc(Cc3ccccc3Cl)c(=O)oc2c1

BDBM50398229

CCCCCc1cc(OC)c2cc(Cc3ccccc3OC)c(=O)oc2c1

BDBM56974

CCCCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2n(C)c(=O)[nH]c(=O)c12

BDBM61449

CCCCCn1c(nc2ccccc12)C(Cc1ccccc1)NC(C)=O

BDBM50505242

CCCCN(CCCC)C1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O |c:9|

BDBM44505

CCCCN1C(=S)S\C(=C/C=C2\N(C)c3ccccc3C2(C)C)C1=O

BDBM50561701

CCCCN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21

BDBM61493

CCCCNS(=O)(=O)c1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1

BDBM61538

CCCCOc1ccccc1NC(=O)c1scc2OCCOc12

BDBM37639

CCCCn1c(NC(=O)CC)c(C#N)c2nc3ccccc3nc12

BDBM61577

CCCCn1c2nc(Cn3ncc(Cl)c(Cl)c3=O)n(CCC)c2c(=O)[nH]c1=O

BDBM53977

CCCN(CCC)C(=O)CSc1nc2n(-c3ccc(OCC)cc3)c(=S)sc2c(=O)[nH]1

BDBM61136

CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=C\C(C)=C/c1ccccc1

BDBM61143

CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=C\C(C)=C/c1ccco1

BDBM61131

CCCN(CCC)Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c[nH]c2ccccc12 |w:22.23|

BDBM61120

CCCN(CCC)c1nc2c(C)cccn2c(=O)c1\C=C1\SC(=S)N(Cc2ccco2)C1=O

BDBM51173

CCCN1C(=S)S\C(=C\C=C2\N(CC)c3ccccc3C2(C)C)C1=O

BDBM50500394

CCCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1

BDBM56927

CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC)cc2O)cc1

BDBM61564

CCCOc1ccc(C)cc1CN(CCCl)CCCl

BDBM61125

CCCOc1ccc(\C=C2\C(=O)ON=C2C)cc1Cl |c:13|

BDBM61507

CCCSc1ccc(cc1)-c1nn(cc1\C=C(\C#N)C(=O)N1CCOCC1)-c1ccccc1

BDBM61440

CCCSc1ncc(Cl)c(n1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CC(C)OC(C)C1

BDBM61149

CCCc1ccc2oc(C(=O)N(CC3CCCO3)Cc3ccncc3)c(C)c2c1

BDBM50221680

CCCn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(CCC)c1=O

BDBM61413

CCN(C(=O)CCc1nc(no1)-c1ccc(C)cc1)c1ccccc1CC

BDBM47676

CCN(C(C)C)c1ccc(NC=C2C(=O)N(Cc3ccc(OC)cc3)C(=O)c3ccccc23)cc1 |w:11.10|

BDBM50745

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

BDBM61112

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

BDBM61109

CCN(CC)C(=O)CC(c1ccc2OCOc2c1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

BDBM50505241

CCN(CC)C1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O |c:5|

BDBM50561704

CCN(CC)CCN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21

BDBM76078

CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)cc1

BDBM76052

CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc(nc3ccccc23)-c2cccs2)cc1

BDBM61052

CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(C)Oc2ccc3c(C)cc(=O)oc3c2)c1

BDBM61022

CCN(CC)S(=O)(=O)c1ccc2n(CC)c(CCC(=O)Nc3cccc(c3)C(F)(F)F)nc2c1

BDBM61062

CCN(CC)c1ccc(C=NOCC(=O)Nc2cccc(C)c2)cc1

BDBM54445

CCN(CC)c1ccc(\C=C\c2ccc3ccc(OC)cc3[n+]2CC)cc1

BDBM61121

CCN(CC)c1ccc2nc3c(cc(=O)c4ccccc34)oc2c1

BDBM61410

CCN(c1ccccc1)S(=O)(=O)c1ccc(NCC2COc3ccccc3O2)nc1

BDBM61155

CCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)N(CCN(C)C)c1nc2c(F)cc(F)cc2s1

BDBM61530

CCN1C(=O)C(c2ccccc12)(c1ccc(O)cc1)c1ccc(O)cc1

BDBM50561700

CCN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21

BDBM61398

CCN1C\C(=C/c2cccs2)C2=C(C1)C(C(C#N)C(=N)O2)c1cccs1 |c:12|

BDBM76044

CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N

BDBM61070

CCOC(=O)C(=Cc1ccc(OC(F)F)cc1)C1=Nn2c(SC1)nnc2-c1ccc(Cl)cc1 |w:6.6,t:18|

BDBM61020

CCOC(=O)C(=Cc1ccc(cc1)[N+]([O-])=O)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 |w:6.6|

BDBM48221

CCOC(=O)C(=Cc1ccccc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 |w:6.6|

BDBM61447

CCOC(=O)C(=Cc1cccnc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1 |w:6.6|

BDBM61502

CCOC(=O)C(C)(C)N(Cc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)c(c1)[N+]([O-])=O

BDBM50318494

CCOC(=O)C1=C(C)N=C(C)C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC |c:5,t:8|

BDBM61519

CCOC(=O)C1C(c2ccc(Br)o2)C(C(=O)OCC)=C(C)N=C1C |c:22,t:19|

BDBM61006

CCOC(=O)N1CCC(CC1)N(CCOC)C(=O)Nc1ccc(Cl)c(Cl)c1

BDBM61129

CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2=O

BDBM61105

CCOC(=O)N1CCc2c(C1)sc(NC(=S)N1CCCCC1)c2C(=O)OCC

BDBM61510

CCOC(=O)c1c(C)c(C)sc1NC(=O)C1C(NC(=S)N=C1C)c1ccc(C)cc1 |c:21|

BDBM61517

CCOC(=O)c1c(C)c(C)sc1NC(=O)C1C(NC(=S)N=C1C)c1ccc(CC)cc1 |c:21|

BDBM44965

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

BDBM61554

CCOC(=O)c1c(CSC(N)=N)n(-c2ccccc2)c2cc(Br)c(OC(C)=O)cc12

BDBM61557

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

BDBM61458

CCOC(=O)c1c(N)sc(c1-c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F

BDBM61456

CCOC(=O)c1c(N)sc(c1-c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F

BDBM61438

CCOC(=O)c1c(oc2ccc(O)c(CN3CCN(C)CC3)c12)-c1ccccc1

BDBM61453

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

BDBM39792

CCOC(=O)c1c2CCCCc2sc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C |(6.1,4.97,;7.13,3.83,;6.65,2.36,;7.68,1.22,;9.19,1.53,;7.2,-.25,;5.75,-.72,;4.41,.05,;3.08,-.72,;3.08,-2.26,;4.41,-3.03,;5.75,-2.26,;7.2,-2.73,;8.1,-1.49,;9.64,-1.49,;10.55,-.24,;10.07,1.22,;12.01,-.72,;12.01,-2.26,;13.26,-3.16,;14.67,-2.54,;15.91,-3.44,;15.75,-4.97,;17.32,-2.81,;17.48,-1.28,;18.89,-.66,;16.23,-.38,;14.83,-1,;13.58,-.1,;10.55,-2.73,;10.07,-4.2,)|

BDBM61466

CCOC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1-c1ccccc1

BDBM61467

CCOC(=O)c1cc(C#N)c(Oc2ccccc2)nc1-c1ccccc1

BDBM61397

CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(Cc2ccccc2)c1=N

BDBM64810

CCOC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc(C)cc3)C2=O)cc1

BDBM64809

CCOC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1

BDBM61474

CCOC(=O)c1cnc2n(C)nc(C)c2c1Oc1ccc(Cl)cc1

BDBM57764

CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1

BDBM61038

CCOC(=O)c1nnc(nc1Oc1ccc(Cl)cc1Cl)-c1ccc(C)cc1

BDBM61028

CCOC(=O)c1sc2cc(cc(SCC(C)C)c2c1N)[N+]([O-])=O

BDBM61461

CCOc1cc(C=NNC(=O)CN2CCOCC2)cc(Br)c1OCC#C

BDBM33070

CCOc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23

BDBM76082

CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1

BDBM76081

CCOc1ccc(-c2n[nH]c(C)c2-c2ccccc2)c(O)c1

BDBM76059

CCOc1ccc(CC(=O)N2CCC(CC2)n2nc(oc2=O)-c2ccccc2)cc1

BDBM64816

CCOc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(cc2)C(O)=O)cc1

BDBM61463

CCOc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccccc2)cc1

BDBM54246

CCOc1ccc(cc1)C(=O)C(CCC(CN(C)C)C(=O)c1ccc(OCC)cc1)CN(C)C

BDBM51132

CCOc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1c(O)c2ccccc2oc1=O |c:14|

BDBM61468

CCS(=O)(=O)c1ccc(-c2csc(n2)-c2ccc(Cl)cc2)c(Cl)c1Cl

BDBM61019

CCSC1(SCC)N=C(N)C2(C#N)C(c3ccc(F)cc3)C12C#N |t:7|

BDBM61553

CCSc1n[nH]c2nc3-c4ccccc4CC4(CCCCC4)c3c(=O)n12

BDBM44497

CCSc1nnc(o1)-c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N

BDBM53484

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

BDBM64814

CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(OC)cc2)cc1

BDBM61583

CCc1ccc(NS(=O)(=O)c2cc3n(C)c(=O)c(=O)n(C)c3cc2C)cc1

BDBM61135

CCc1ccc(Nc2n[n+](c(\C=C\c3ccccc3)s2)-c2ccccc2)cc1

BDBM58506

CCc1ccc(Nc2n[n+](c(s2)-c2c(Cl)cccc2Cl)-c2ccccc2)cc1 |(10.62,16.06,;9.72,14.82,;10.35,13.41,;11.88,13.25,;12.5,11.84,;11.6,10.6,;12.22,9.19,;11.32,7.94,;9.78,7.94,;9.3,6.48,;10.55,5.57,;11.79,6.48,;10.55,4.03,;9.22,3.26,;7.68,3.26,;9.22,1.72,;10.55,.95,;11.88,1.72,;11.88,3.26,;13.22,4.03,;7.8,6.8,;6.77,5.66,;5.26,5.98,;4.78,7.44,;5.81,8.59,;7.32,8.27,;10.07,10.76,;9.44,12.17,)|

BDBM51926

CCc1ccc(Nc2n[n+](c(s2)-c2cc(OC)c(OC)cc2Br)-c2ccccc2)cc1

BDBM61134

CCc1ccc(Nc2n[n+](c(s2)-c2ccc(SC)cc2)-c2ccccc2)cc1

BDBM50449581

CCc1ccc(OCCCCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:21|

BDBM58651

CCc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1

BDBM61597

CCc1ccc(cc1)C(=O)NC(=S)Nc1ccccc1N1CCOCC1

BDBM61148

CCc1cccc(OCC(=O)Nc2cc(ccc2N2CCCC2)S(=O)(=O)N2CCOCC2)c1

BDBM61494

CCc1ccccc1\N=C1/S\C(=C\c2ccccc2OCC(=O)N2CCOCC2)C(=O)N1C

BDBM61532

CCc1nc(C)cn1S(=O)(=O)c1cc(ccc1Cl)[N+]([O-])=O

BDBM60068

CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)\C=C\c3ccc(OC)cc3OC)cc2)s1

BDBM61525

CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)\C=C\c3ccccc3Cl)cc2)s1

BDBM39984

CCc1nnc2SCC(=Nn12)c1ccc(o1)-c1cc(Cl)ccc1Cl |c:8|

BDBM61051

CCc1noc(C)c1C(=O)Nc1nc(cs1)-c1ccc(Cl)cc1Cl

BDBM61025

CCn1c(CSc2nc3ccccc3s2)n[nH]c1=S

BDBM61416

CCn1c(Cn2nnc(n2)-c2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1

BDBM61599

CN(C(=O)c1cc(cn1C)S(=O)(=O)N1CCc2ccccc12)c1ccc(C)cc1

BDBM43391

CN(C(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1)c1ccccc1

BDBM61154

CN(C)CCCN(C(=O)c1cc(Cl)sc1Cl)c1nc2cc3OCOc3cc2s1

BDBM61087

CN(C)CCN(C(=O)c1cc(Cl)sc1Cl)c1nc2cc(C)cc(C)c2s1

BDBM61575

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

BDBM61073

CN(C)S(=O)(=O)c1cc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)ccc1C

BDBM61094

CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O

BDBM61095

CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)N1CCN(CC1)c1cccc(C)c1C

BDBM50500387

CN(C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1

BDBM59006

CN(C)\C=C\C=C\C=C\C1=[N+](C)c2ccccc2C1(C)C |c:9|

BDBM61086

CN(C)c1ccc(C=CC(=O)c2c(O)c3ccccc3oc2=O)cc1 |w:7.6|

BDBM47358

CN(C)c1ccc(\C=C\c2ccc3c(ccc4ccccc34)[n+]2-c2ccccc2)cc1

BDBM61442

CN(C)c1ccnc(N(Cc2ccccc2)Cc2ccccc2)c1C#N

BDBM61144

CN(C1CCCCC1)C(=O)c1sc2ncnc(N3CCN(CC3)c3ccccc3)c2c1C

BDBM61414

CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2C(O)=O)cc1

BDBM61460

CN(C1CCS(=O)(=O)C1)C(=O)CSc1nc(c([nH]1)-c1ccc(C)cc1)-c1ccc(C)cc1

BDBM61487

CN(c1ccc(cc1)C(=O)NCCSCc1ccccc1C)S(=O)(=O)c1ccccc1

BDBM50269024

CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3cc(CCO)ccc3c2)cc1

BDBM50269020

CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3cc(CO)ccc3c2)cc1

BDBM50269009

CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3cccnc3c2)cc1

BDBM50269006

CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cnc3ccccc3c2)cc1

BDBM61104

CN1C(=CC(=O)COC(=O)c2ccccc2O)C(C)(C)c2ccccc12 |w:3.3|

BDBM61091

CN1C(=CC(=O)COC(=O)c2ccco2)C(C)(C)c2ccccc12 |w:3.3|

BDBM61567

CN1C(=CC(=O)CSc2ccccc2C(O)=O)C(C)(C)c2ccccc12 |w:3.3|

BDBM50449595

CN1C(=N)NC(=O)\C1=C\c1cccc(OCc2ccc(Cl)cc2)c1

BDBM61531

CN1C(=O)C(c2cc(C)ccc12)(c1ccc(O)cc1)c1ccc(O)cc1

BDBM50449591

CN1C(=O)\C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)N=C1SCc1ccc(C)cc1 |c:23|

BDBM61562

CN1C(=S)SC(=Cc2c[nH]nc2-c2ccccc2)C1=O |w:6.6|

BDBM50500386

CN1CCN(CC1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1

BDBM61098

CN1CCN(CC1)c1nc(Nc2ccccc2)nc(N)c1[N+]([O-])=O

BDBM61559

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

BDBM51017

CN1\C(=C\C=C2\SC(=S)N(CC=C)C2=O)C(C)(C)c2ccccc12

BDBM76043

CNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N

BDBM61540

CNC(=O)c1nnsc1S(=O)(=O)c1ccc(Cl)cc1

BDBM47442

CNC(=O)c1nnsc1S(=O)c1ccc(Cl)cc1

BDBM75867

CNC(=S)NN=Cc1c(cnn1-c1ccc(Cl)cc1)C(=O)OC |w:5.4|

BDBM61631

CNC(=S)NN=Cc1c(cnn1-c1ccc(F)cc1F)C(=O)OC |w:5.4|

BDBM54818

CNc1cc(Cl)c2nonc2c1[N+]([O-])=O

BDBM61585

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCCc2cccnc2)=N[C@H]1c1ccccc1 |c:4,26|

BDBM61584

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2cc(OC)c(OC)c(OC)c2)=N[C@H]1c1ccccc1 |c:4,31|

BDBM61587

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

BDBM51924

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

BDBM61586

COC(=O)C1=C(C)N(Cc2ccccc2)C(NCc2ccccc2)=N[C@H]1c1cccc(F)c1 |c:4,25|

BDBM53230

COC(=O)C1=C(C)N(Cc2ccccc2)C(N[C@H]1c1ccccc1)=NCC(C)C |w:24.27,c:4|

BDBM61437

COC(=O)C1=C(N)c2c(cccc2F)C1(C#N)c1ccc(F)cc1 |c:4|

BDBM61436

COC(=O)C1=C(N)c2c(cccc2F)C1(C#N)c1ccccc1 |c:4|

BDBM61435

COC(=O)C1=C(N)c2ccccc2C1(C#N)c1ccccc1 |c:4|

BDBM61415

COC(=O)C1=CN(C=C(C1c1cc2OCOc2cc1Br)C(=O)OC)C(C)C |c:7,t:4|

BDBM64808

COC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCOCC3)cc2s1

BDBM61011

COC(=O)[C@@H]1[C@@H](C(=O)OC)C2(N(N1C#N)c1ccc(Cl)cc1)c1ccccc1-c1ccccc21

BDBM61065

COC(=O)c1c(NC(=O)CN(c2ccccc2)S(C)(=O)=O)sc2CCCCc12

BDBM57336

COC(=O)c1c(NC(NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)sc2CCCc12

BDBM50925

COC(=O)c1cc2c(-c3ccccc3)c(C)c3ccccn3c2c1C(=O)OC

BDBM51640

COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(OC)c(OC)c1OC)=[N+]2C |c:29|

BDBM39763

COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccccc1O)=[N+]2C |c:24|

BDBM61472

COC(=O)c1ccccc1NC(=S)NC(NC(=O)c1ccco1)C(Cl)(Cl)Cl

BDBM61632

COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccc(F)cc1F |w:10.11|

BDBM75859

COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)-c1ccccc1 |w:10.11|

BDBM75864

COC(=O)c1cnn(c1C=NNC(=S)Nc1ccc(Cl)cc1)-c1ccc(F)cc1F |w:10.11|

BDBM75861

COC(=O)c1cnn(c1C=NNC(=S)Nc1ccc(Cl)cc1)-c1ccccc1 |w:10.11|

BDBM75869

COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccc(Cl)cc1 |w:10.11|

BDBM75866

COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccc(F)cc1F |w:10.11|

BDBM75860

COC(=O)c1cnn(c1C=NNC(=S)Nc1ccccc1)-c1ccccc1 |w:10.11|

BDBM75868

COC(=O)c1cnn(c1C=NNC(N)=S)-c1ccc(Cl)cc1 |w:10.11|

BDBM75863

COC(=O)c1cnn(c1C=NNC(N)=S)-c1ccc(F)cc1F |w:10.11|

BDBM75870

COC(=O)c1cnn(c1C=NNC(N)=S)-c1ccccc1 |w:10.11|

BDBM50448076

COC(C)(C)\C=C\C[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1Cc3c([nH]c4ccccc34)[C@]21C |r|

BDBM50500383

COC(C)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2-c2ccc(F)cc2)S(C)(=O)=O)c(F)c1

BDBM61078

COC1=CC(=Cc2c([nH]oc2=O)-c2ccccc2)C=C(Cl)C1=O |w:5.5,t:2,20|

BDBM76045

COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(C2CCCC2)c1=N

BDBM61023

COCCCNC(=S)NNC(=O)c1cccnc1

BDBM50561702

COCCN1CCCn2c1nc1n(C)c(=O)n(C)c(=O)c21

BDBM61001

COCc1nc(no1)-c1cc(OC)c(OC)c(OC)c1

BDBM61014

COCc1nnc(NC(=O)CCSc2ccccc2)s1

BDBM50434878

COc1c(C)c(C)c2oc(=O)c(Cc3ccc(F)cc3)cc2c1C

BDBM50434891

COc1c(C)c(C)c2oc(=O)c(Cc3ccccc3)cc2c1C

BDBM50434877

COc1c(C)c(C)c2oc(=O)c(Cc3ccccc3C)cc2c1C

BDBM61590

COc1cc(Br)c(cc1OC)-c1sc(Nc2ccccc2)n[n+]1-c1ccc(F)cc1

BDBM50278516

COc1cc(Br)cc2cc(C)c(=O)oc12

BDBM50278379

COc1cc(C)cc2oc(=O)c(Cc3ccccc3)cc12

BDBM50372

COc1cc(CN=Nc2cccc(c2)C(O)=O)c(Br)c(Br)c1OCC=C |w:7.7|

BDBM54824

COc1cc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)cc1[N+]([O-])=O

BDBM61498

COc1cc(NS(=O)(=O)c2ccc(Nc3nc(cs3)-c3ccccc3)cc2)nc(OC)n1

BDBM61448

COc1cc(OC)c(cc1Cl)-n1c(C)cc(C=O)c1C |(5.75,-5.98,;7.08,-5.21,;7.08,-3.67,;5.75,-2.9,;5.75,-1.36,;4.41,-.59,;3.08,-1.36,;7.08,-.59,;8.41,-1.36,;8.41,-2.9,;9.75,-3.67,;7.08,.95,;5.84,1.86,;4.37,1.38,;6.31,3.32,;7.85,3.32,;8.76,4.57,;8.13,5.98,;8.33,1.86,;9.79,1.38,)|

BDBM61515

COc1cc(\C=C(/C#N)C(=O)NCC=C)ccc1OS(=O)(=O)c1ccc(C)cc1

BDBM61018

COc1cc(\C=C2/C(=O)N=C3SC=CN3C2=N)ccc1OCCCOc1c(C)cccc1C |c:12,t:9|

BDBM61111

COc1cc(cc(OC)c1OC)C(CC(=O)N1CCCC1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1

BDBM61002

COc1cc(ccc1NC(=O)c1cc2CCCc2s1)S(=O)(=O)N1CCOCC1

BDBM52318

COc1cc2CCN=C(c3ccc(o3)-c3ccc(Cl)c(Cl)c3)c2cc1OC |t:7|

BDBM52265

COc1cc2CCN=C(c3ccc(o3)-c3ccc(Cl)cc3Cl)c2cc1OC |t:7|

BDBM61068

COc1cc2c(cc1NC(=O)C(C)Sc1ccc(NC(C)=O)cc1)oc1ccccc21

BDBM61045

COc1cc2c(cc1NC(=O)CSc1ccc(C)cc1)oc1ccccc21

BDBM61061

COc1cc2c(cc1NC(=O)CSc1ccc(Cl)cc1)oc1ccccc21

BDBM61054

COc1cc2c(cc1NC(=O)CSc1ccccc1)oc1ccccc21

BDBM61015

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

BDBM52675

COc1cc2n(Cc3ccccc3F)cc3c(nnc3c2cc1OC)-c1ccccc1

BDBM57190

COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1

BDBM61571

COc1ccc(-c2nn(cc2\C=C2\SC(=S)N(CCC(O)=O)C2=O)-c2ccccc2)c(C)c1

BDBM61589

COc1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)c(C)c1C

BDBM50278474

COc1ccc(Br)c2oc(=O)c(Cc3ccccc3)cc12

BDBM50436000

COc1ccc(C(=O)Nc2cc(Br)cc3c2oc(cc3=O)C(O)=O)c(Cl)c1

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

BDBM61593

COc1ccc(C)cc1Nc1n[n+](c(s1)-c1ccc(cc1)N(C)C)-c1ccccc1

BDBM61407

COc1ccc(CCN2C(c3c(n[nH]c3C2=O)-c2ccccc2O)c2ccc(C)cc2)cc1OC

BDBM61406

COc1ccc(CCN2C(c3c(n[nH]c3C2=O)-c2ccccc2O)c2cccc(O)c2)cc1OC

BDBM50221703

COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1

BDBM50221704

COc1ccc(CCN2CCCn3c2nc2n(C)c(=O)n(C)c(=O)c32)cc1OC

BDBM61542

COc1ccc(CN2C(=O)NC(=O)\C(=C/c3ccco3)C2=O)cc1

BDBM61508

COc1ccc(CNCCC(c2ccc(F)cc2)c2ccc(OC)cc2)cc1

BDBM61471

COc1ccc(CNCCC(c2ccccc2)c2ccc3OCOc3c2)cc1

BDBM61424

COc1ccc(CNCc2cc3c(nn(-c4ccccc4)c3[nH]c2=O)C(C)(C)C)cc1

BDBM50500382

COc1ccc(CNS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1

BDBM61600

COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccccc1N1CCOCC1

BDBM64815

COc1ccc(Cn2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3ccsc3c2=O)cc1

BDBM61082

COc1ccc(F)cc1C(=O)C1CCCN(Cc2cccn2-c2ccccn2)C1

BDBM53156

COc1ccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)c(OC)c1 |w:13.13|

BDBM53240

COc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CC(=O)N4CCOCC4)c4ccccc34)C2=O)c(OC)c1 |w:13.13|

BDBM61541

COc1ccc(NC(=O)C(Cl)=C(Cl)S(=O)Cc2ccccc2Cl)cn1 |w:11.11|

BDBM61411

COc1ccc(NC(=O)CN2CCN(CC2)C2c3ccccc3-c3ccccc23)c(OC)c1

BDBM57891

COc1ccc(NC(=O)c2c[nH]n3c2nc(cc3=O)C2CCN(CC2)C(=O)OC(C)(C)C)cc1Cl

BDBM57723

COc1ccc(NC2=NCC(Cc3ccc(Br)cc3)S2)cc1 |t:7|

BDBM57611

COc1ccc(NS(=O)(=O)c2ccc3nc(COc4cccc5ccccc45)[nH]c3c2)cc1

BDBM61568

COc1ccc(OC)c(c1)N1C(=O)NC(=O)C(=Cc2c(C)[nH]c3ccccc23)C1=O |w:17.18|

BDBM50605

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

BDBM50505243

COc1ccc(OC)c2C(=O)C(N3CCCCC3)=C(Cl)C(=O)c12 |t:18|

BDBM50505244

COc1ccc(OC)c2C(=O)C(N3CCOCC3)=C(Cl)C(=O)c12 |t:18|

BDBM39591

COc1ccc(OCC(O)Cn2c3ccccc3n(Cc3ccccc3)c2=N)cc1

BDBM58021

COc1ccc(Oc2c[nH]nc2-c2ccc(OCC(C)=C)cc2O)cc1

BDBM61113

COc1ccc(SC[C@H](CC(C)C)N2CCN(CCc3ccccc3)CCC2=O)cc1

BDBM64828

COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C(O)=O)c(O)c3)C2=O)cc1OC

BDBM64826

COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1

BDBM61654

COc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1OC

BDBM61137

COc1ccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)NC2CC2)cc1OC

BDBM64806

COc1ccc(\C=C2\SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1

BDBM76084

COc1ccc(cc1)-c1c(C)[nH]nc1-c1ccc(OCCN2CCOCC2)cc1O

BDBM61556

COc1ccc(cc1)-c1c(n[nH]c1C(F)(F)F)-c1ccc(O)cc1O

BDBM61504

COc1ccc(cc1)-c1c(n[nH]c1C(F)(F)F)-c1ccc(OCC(=O)NN)cc1O

BDBM61093

COc1ccc(cc1)-c1cc(C(=O)Nc2cc(ccc2N2CCOCC2)S(=O)(=O)N2CCOCC2)c2ccccc2n1

BDBM76086

COc1ccc(cc1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2ncccn2)c2ccccc2n1

BDBM76088

COc1ccc(cc1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2onc(C)c2C)c2ccccc2n1

BDBM61008

COc1ccc(cc1)-c1cc(n2nc(cc2n1)C(=O)NCc1ccco1)C(F)(F)F

BDBM61499

COc1ccc(cc1)-c1csc(Nc2ccc(cc2)S(=O)(=O)Nc2cc(OC)nc(OC)n2)n1

BDBM61080

COc1ccc(cc1)-c1csc2nc(oc(=O)c12)-c1ccccc1OC

BDBM61083

COc1ccc(cc1)-c1n(CC(=O)OC2CC(C)CCC2C(C)C)c2ccccc2[n+]1C

BDBM75858

COc1ccc(cc1)-c1n[nH]cc1C=NNC(=S)NC(C)(C)C |w:14.16|

BDBM50151368

COc1ccc(cc1)-c1nn(C2CCN(CC2)C(=O)C2(CC2)c2ccccc2)c(=O)o1

BDBM76072

COc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(C)cc1

BDBM76069

COc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(Cl)cc1

BDBM64805

COc1ccc(cc1)-c1nnc(o1)-c1cccnc1

BDBM76065

COc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1ccc(cc1)-c1ccccc1

BDBM76067

COc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1cccc(Br)c1

BDBM57459

COc1ccc(cc1)C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1

BDBM50436001

COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O

BDBM50151369

COc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccc(cc1)C(F)(F)F

BDBM76058

COc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1

BDBM61128

COc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1nc(cs1)-c1ccc(CNC(C)=O)cc1 |t:9|

BDBM61029

COc1ccc(cc1)C1C(C#N)C(=N)Oc2c1sc1nc(C)cc(C)c21

BDBM61106

COc1ccc(cc1)C1\C=C/CN([C@H](Cc2ccccc2)C(=O)N1Cc1ccc(F)cc1)C(=O)c1ccc(C)cc1 |c:10|

BDBM61560

COc1ccc(cc1)C1c2ccc(O)cc2Oc2ncn(CC(C)C)c(=N)c12

BDBM61561

COc1ccc(cc1)C1c2ccc(O)cc2Oc2ncn(Cc3ccco3)c(=N)c12

BDBM61419

COc1ccc(cc1)N(CC(=O)Nc1nc2ccc(C)cc2s1)S(=O)(=O)c1c(C)nn(C)c1C

BDBM50156109

COc1ccc(cc1)N1CCN(CC(=O)NCn2ncc3c2-c2ccc(OC)cc2OC3(C)C)CC1

BDBM61591

COc1ccc(cc1)S(=O)(=O)CC(=O)c1cc2cc(Br)ccc2oc1=O

BDBM46906

COc1ccc(cc1N(C)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)Nc1ccc(C)cc1

BDBM61483

COc1ccc(cc1N(C)S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)Nc1ccc(F)cc1

BDBM61072

COc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)N1CCOCC1

BDBM44869

COc1ccc(cc1OC)-c1c(Cl)nc(N[C@@H](C)c2ccccc2)c(=O)n1-c1ccccc1

BDBM34180

COc1ccc(cc1OC)-c1cc(N)n(n1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F

BDBM61016

COc1ccc(cc1OC)C(=O)NC(=S)NCc1ccc(cc1)-c1nc2ccccc2o1

BDBM61555

COc1ccc(cc1OC)C1c2ccc(O)cc2Oc2ncn3nc(nc3c12)-c1cccnc1

BDBM50435998

COc1ccc(cn1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O

BDBM50435999

COc1ccc(nc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O

BDBM50156119

COc1ccc2-c3c(cnn3CCN3CCN(CC3)C(=O)c3ccco3)C(C)(C)Oc2c1

BDBM50156116

COc1ccc2-c3c(cnn3CCN3CCN(CC3)C(=O)c3cccs3)C(C)(C)Oc2c1

BDBM50156115

COc1ccc2-c3c(cnn3CNC(=O)CN3CCN(CC3)c3ccccc3)C(C)(C)Oc2c1

BDBM50156103

COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C(C)(C)C)cc3C(C)(C)Oc2c1

BDBM50156104

COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCCC4)cc3C(C)(C)Oc2c1

BDBM50156105

COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)C4CCCO4)cc3C(C)(C)Oc2c1

BDBM50156106

COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)COc4ccccc4)cc3C(C)(C)Oc2c1

BDBM50156107

COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccccc4)cc3C(C)(C)Oc2c1

BDBM50156108

COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4ccco4)cc3C(C)(C)Oc2c1

BDBM50156102

COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4cccs4)cc3C(C)(C)Oc2c1

BDBM50156110

COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4cccc(C)c4C)cc3C(C)(C)Oc2c1

BDBM50156114

COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4ccccc4)cc3C(C)(C)Oc2c1

BDBM50156112

COc1ccc2-c3nn(CNC(=O)CN4CCN(CC4)c4ccccc4OC)cc3C(C)(C)Oc2c1

BDBM50434889

COc1ccc2cc(C)c(=O)oc2c1

BDBM61049

COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(cs4)-c4ccc(F)cc4)n3c2c1

BDBM61034

COc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc(cs4)-c4ccccc4)n3c2c1

BDBM50278331

COc1ccc2cc(Cc3ccccc3)c(=O)oc2c1

BDBM51879

COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(C(C)C)c(O)cc3C)c2c1

BDBM50278327

COc1ccc2oc(=O)c(C)cc2c1

BDBM50278326

COc1ccc2oc(=O)c(Cc3ccccc3)cc2c1

BDBM50398241

COc1cccc(Cc2cc3c(OC)cc(Br)cc3oc2=O)c1

BDBM50398240

COc1cccc(Cc2cc3c(OC)cc(CBr)cc3oc2=O)c1

BDBM50398239

COc1cccc(Cc2cc3c(OC)cc(CO)cc3oc2=O)c1

BDBM50398242

COc1cccc(Cc2cc3c(OC)cccc3oc2=O)c1

BDBM61141

COc1cccc(Cn2cc(nn2)-c2cccc(c2)C(F)(F)F)c1

BDBM61655

COc1cccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)c1

BDBM50278378

COc1cccc2cc(C)c(=O)oc12

BDBM50434893

COc1cccc2cc(Cc3ccccc3)c(=O)oc12

BDBM50278325

COc1cccc2oc(=O)c(Cc3ccccc3)cc12

BDBM61026

COc1cccc2sc(NC(=O)c3ccc(Br)s3)nc12

BDBM61030

COc1ccccc1-c1cc(C(=O)N2CCc3ccccc3C2)c2ccccc2n1

BDBM43454

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

BDBM61099

COc1ccccc1-n1cnc2cc(NCc3ccccc3O)ccc12

BDBM61017

COc1ccccc1-n1cnc2cc(NCc3cccs3)ccc12

BDBM61033

COc1ccccc1C=CC(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1 |w:8.8|

BDBM61081

COc1ccccc1CC(=O)Nc1ccc2C(=O)NC(=O)c2c1

BDBM61152

COc1ccccc1CNC(=O)c1oc2ccccc2c1C

BDBM50434880

COc1ccccc1Cc1cc2c(C)c(OC)c(C)c(C)c2oc1=O

BDBM50434884

COc1ccccc1Cc1cc2c(C)ccc(C(C)C)c2oc1=O

BDBM50434885

COc1ccccc1Cc1cc2c(C)ccc(C)c2oc1=O

BDBM61079

COc1ccccc1Cn1c(SCC(=O)C(C)(C)C)nc2cc(ccc2c1=O)C(=O)N1CCC2(CC1)OCCO2

BDBM60998

COc1ccccc1N1CCN(CC1)C(c1cccs1)c1nnnn1C1CCCC1

BDBM48082

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

BDBM61518

COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NCCN2CCOCC2)ccc1N1CCOCC1

BDBM61092

COc1ccccc1OCC(=O)C=C1N(C)c2ccccc2C1(C)C |w:12.12|

BDBM61118

COc1ccccc1[N+]1=N[C-](CC1c1ccccc1)c1ccc(cc1)[N+]([O-])=O |t:9|

BDBM50269019

COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccccc1

BDBM50269018

COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(C)c1ccncc1

BDBM50269012

COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(CCO)c1ccccc1

BDBM50269023

COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(CO)o1)c1ccccc1

BDBM50269013

COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(O)cc1)c1ccccc1

BDBM50269021

COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1cccc(O)c1)c1ccccc1

BDBM50269022

COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1O)c1ccccc1

BDBM50269029

COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccncc1)c1ccccc1

BDBM50269008

COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)NCC(O)CO

BDBM50269017

COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)NCCO

BDBM50269011

COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1

BDBM50269007

COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C

BDBM61040

COc1ccccc1\C=C\C(=O)c1ccc(Cl)cc1

BDBM50500385

CS(=O)(=O)c1ccc(-c2ccc(F)cc2)c(c1)C(=O)N1CCN(CC1)c1ccc(N)cc1F

BDBM50449593

CSC1=NC(=O)\C(N1)=C\c1cccc(OCc2ccc(Cl)cc2)c1 |t:2|

BDBM50449580

CSC1=N\C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1C |t:2|

BDBM61133

CSc1ccc(cc1)-c1sc(Nc2ccccc2)n[n+]1-c1ccccc1

BDBM61469

CSc1nnc(-c2sccc2OCc2ccccc2)n1C

BDBM43484

C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](O)[C@@]2(C)[C@H]1C=CC2=O |c:17|

BDBM54827

C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(=O)CC(=O)O[C@H]2[C@H]3[C@@H](C[C@@H](C)[C@@H]4C=CC(=O)[C@@]24C)OC(=O)C3=C)[C@@]2(C)[C@H]1C=CC2=O |c:26,44|

BDBM43482

C[C@@H]1C[C@H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]2(C)[C@H]1C=CC2=O |c:20|

BDBM61569

C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C(=O)OC(C)(C)C

BDBM61009

C[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]1CC(C)(C)C[C@H]21 |c:9|

BDBM61151

C\C(C=NNC(=O)c1nnn(c1CN1CCCCC1)-c1nonc1N)=C/c1ccccc1

BDBM50185

C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(C(O)=O)c(O)c2)C1=O)=C/c1ccccc1

BDBM45060

C\C(\C=C1/SC(=S)N(CCCC(=O)Nc2ccc(cc2)C(O)=O)C1=O)=C/c1ccccc1

BDBM61451

Cc1[nH]c2c(Br)cccc2c1[C@H]1[C@@H](CC#N)C1(C)C

BDBM61635

Cc1[nH]c2ccc(C)cc2c1\C=C\c1cc[n+](C)cc1

BDBM61007

Cc1[nH]c2ccc(cc2c1C)-c1nnc(SCC(=O)NCc2ccco2)n1Cc1ccccc1

BDBM61514

Cc1[nH]c2ccccc2c1C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1c(C)cccc1C |w:12.13,18.20,(9.64,-4.2,;8.1,-4.2,;7.2,-5.44,;5.75,-4.97,;4.41,-5.74,;3.08,-4.97,;3.08,-3.43,;4.41,-2.66,;5.75,-3.43,;7.2,-2.96,;7.68,-1.5,;6.65,-.35,;9.19,-1.18,;10.22,-2.33,;11.25,-3.47,;9.67,.28,;8.77,1.53,;9.67,2.77,;9.2,4.24,;7.69,4.56,;6.66,3.42,;5.16,3.74,;4.68,5.21,;5.71,6.35,;7.22,6.03,;11.14,2.29,;12.38,3.2,;11.13,.75,;12.61,.33,;12.98,-1.17,;11.87,-2.23,;14.46,-1.59,;15.57,-.53,;15.2,.97,;13.72,1.4,;13.35,2.89,)|

BDBM37835

Cc1[nH]n2c(nc3CCCc3c2=O)c1-c1cccc2ccccc12 |(8.07,-3.45,;8.84,-2.12,;10.36,-1.96,;10.68,-.47,;9.35,.3,;9.35,1.84,;10.68,2.61,;11,4.11,;12.53,4.27,;13.15,2.87,;12.01,1.84,;12.01,.3,;13.35,-.47,;8.21,-.72,;6.71,-.4,;6.23,1.06,;4.72,1.38,;3.69,.23,;4.17,-1.23,;3.08,-2.41,;3.57,-3.94,;5.14,-4.27,;6.2,-3.07,;5.68,-1.55,)|

BDBM76080

Cc1[nH]nc(c1-c1ccc(Br)cc1)-c1ccc(O)cc1O

BDBM61405

Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(O)cc1O

BDBM76083

Cc1[nH]nc(c1-c1ccc(Cl)cc1)-c1ccc(OCCN2CCOCC2)cc1O

BDBM61450

Cc1[nH]nc(c1Oc1ccccc1)-c1ccc(O)c(C)c1O

BDBM61403

Cc1[nH]nc(c1Oc1ccccc1)-c1ccc(O)cc1O

BDBM50434890

Cc1c(C)c2oc(=O)c(Cc3ccc(F)cc3)cc2c(C)c1O

BDBM50434879

Cc1c(C)c2oc(=O)c(Cc3ccccc3)cc2c(C)c1O

BDBM61545

Cc1c(CCOC(=O)c2ccc(N3CCOCC3)c(c2)[N+]([O-])=O)sc[n+]1CC#N

BDBM54814

Cc1c(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c(=O)n(-c2ccccc2)n1C

BDBM237

Cc1c(\C=C\c2cc[n+](C)cc2)c2cc(C)ccc2n1C

BDBM61634

Cc1c(\C=C\c2cc[n+](C)cc2)c2ccccc2n1CC=C

BDBM61013

Cc1c(cnc2cc3OCOc3cc12)C(=O)c1ccc(Cl)c(Cl)c1

BDBM21278

Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1

BDBM36839

Cc1c(oc2ccccc12)C(=O)Nc1ccc(c(C)c1)-n1cnnn1

BDBM64813

Cc1c(sc2nc[nH]c(=O)c12)C(=O)Nc1ccc2OCCOc2c1

BDBM76085

Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccccc3)cc2)n1

BDBM61473

Cc1cc(C=C2SC(Nc3ccccc3)=NC2=O)c(C)n1-c1ccc(cc1)S(N)(=O)=O |w:4.3,c:15|

BDBM48241

Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |w:5.5|

BDBM61501

Cc1cc(Cl)ccc1NC(=S)N(CCCN1CCOCC1)Cc1cccs1

BDBM61574

Cc1cc(N)n2nc(c(-c3ccccc3)c2n1)-c1ccccc1

BDBM61485

Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3ccccn3)cc2)no1

BDBM45519

Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccc(C)cc3C)cc2)no1

BDBM61495

Cc1cc(Nc2ccccc2)nc(NCc2ccccc2)n1

BDBM50398214

Cc1cc(O)c2cc(Cc3ccccc3C)c(=O)oc2c1

BDBM61430

Cc1cc(O)ccc1C1(OC(=O)c2ccccc12)c1ccc(O)cc1C

BDBM50278259

Cc1cc2c(ccc3ccccc23)oc1=O

BDBM50434894

Cc1cc2cc(Cl)cc(Br)c2oc1=O

BDBM50278329

Cc1cc2cc(I)ccc2oc1=O

BDBM61003

Cc1cc2ncn(-c3nnnn3-c3ccccc3)c2cc1C

BDBM61090

Cc1ccc(C)c(CN2c3cc(ccc3S(=O)c3ccccc3C2=O)C(=O)N2CCN(CC2)c2ccccn2)c1

BDBM64835

Cc1ccc(C)c(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)c1

BDBM61126

Cc1ccc(C)c(c1)-c1ccc(=O)n(Cc2cccc(Br)c2)n1

BDBM61004

Cc1ccc(C)n1-n1cnc2sc(cc2c1=O)-c1ccccc1 |(3.79,-1.87,;4.11,-.37,;3.08,.78,;3.85,2.11,;5.36,1.79,;6.5,2.82,;5.52,.26,;6.85,-.51,;6.85,-2.05,;8.18,-2.82,;9.52,-2.05,;10.98,-2.52,;11.87,-1.28,;10.98,-.04,;9.52,-.51,;8.18,.26,;8.18,1.8,;13.41,-1.28,;14.18,.05,;15.72,.05,;16.49,-1.28,;15.72,-2.61,;14.18,-2.61,)|

BDBM61423

Cc1ccc(CNCc2cc3c(nn(-c4ccccc4)c3[nH]c2=O)C(C)(C)C)cc1

BDBM50500391

Cc1ccc(CNS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1

BDBM50449579

Cc1ccc(COc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:14|

BDBM50449601

Cc1ccc(CSC2=N\C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)N2)cc1 |t:7|

BDBM50398213

Cc1ccc(Cc2cc3c(O)cc(C)cc3oc2=O)cc1

BDBM61138

Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1ccc2N(CCc2c1)S(C)(=O)=O

BDBM64822

Cc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccc(C)cc2)cc1

BDBM40889

Cc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccccc2C)cc1

BDBM41816

Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1 |w:9.9,t:6|

BDBM61076

Cc1ccc(NS(=O)(=O)c2cc(ccc2N=NCc2sc(nc2-c2ccccc2)N2CCOCC2)[N+]([O-])=O)c(C)c1 |w:15.15|

BDBM61534

Cc1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1

BDBM64830

Cc1ccc(OCCC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1

BDBM50449597

Cc1ccc(OCCCCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:20|

BDBM61146

Cc1ccc(SC[C@H](Cc2ccccc2)N2CC[C@H](CCC2=O)NC(=O)OCc2ccccc2)cc1

BDBM61506

Cc1ccc(\C=C2/C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)o1

BDBM61626

Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(O)cc3)C2=O)cc1

BDBM61153

Cc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3cccc(c3)C(O)=O)C2=O)cc1

BDBM52402

Cc1ccc(\C=C2\C(=O)NC(=O)N(CCc3ccc(F)cc3)C2=O)o1

BDBM76075

Cc1ccc(c(C)c1)-c1cc(C(=O)Nc2ccc(cc2)S(=O)(=O)Nc2nccs2)c2ccccc2n1

BDBM54009

Cc1ccc(cc1)-c1n[nH]c2C(=O)N(C(c12)c1cccc(O)c1)c1ccc(cc1)C(O)=O

BDBM76071

Cc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccc(C)cc1

BDBM76068

Cc1ccc(cc1)-c1nnc(C)c2nn(cc12)-c1ccccc1

BDBM76070

Cc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1ccc(Cl)cc1

BDBM57269

Cc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1cccc(Br)c1

BDBM76063

Cc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1ccccc1

BDBM61021

Cc1ccc(cc1)C(=O)N1CCN(CC1)C1C(NS(=O)(=O)c2ccccc2)c2cccc3cccc1c23

BDBM50152128

Cc1ccc(cc1)C1(CC1(C)C)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1

BDBM61596

Cc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1

BDBM61048

Cc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccccc1C(=O)NCc1ccco1

BDBM44582

Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1nc(C)c2COC(C)(C)Cc2c1C#N

BDBM50173

Cc1ccc(cc1C)-n1[nH]c([O-])c([CH+]c2cc3OCOc3cc2[N+]([O-])=O)c1=O

BDBM61071

Cc1ccc(cc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12)S(=O)(=O)N1CCOCC1

BDBM61044

Cc1ccc(cc1NC(=S)NC(=O)c1ccccc1Br)-c1nc2ccccc2[nH]1

BDBM61119

Cc1ccc2n3CCN(C4CCCc(c34)c2c1)C(=O)CCl

BDBM76079

Cc1ccc2nc(cc(C(=O)Nc3ccc(cc3)S(=O)(=O)N3CCOCC3)c2c1)-c1ccccn1

BDBM76051

Cc1ccc2nc3n(C4CCCC4)c(=N)c(cc3c(=O)n2c1)C(=O)NC1CCCC1

BDBM61595

Cc1ccc2nc3n(C4CCCC4)c(=N)c(cc3c(=O)n2c1)C(=O)NCc1ccco1

BDBM50449583

Cc1cccc(C)c1OCCCCCCOc1cccc(\C=C2/N=C3SCCCN3C2=O)c1 |t:24|

BDBM76034

Cc1cccc(OCC(=O)N2CCN(CC2)c2nc(C)nc3sc4CCCCc4c23)c1

BDBM61491

Cc1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1

BDBM33675

Cc1ccccc1-n1cnc2cc(NCc3cccs3)ccc12

BDBM50434876

Cc1ccccc1Cc1cc2c(C)c(O)c(C)c(C)c2oc1=O

BDBM61459

Cc1ccccc1N(C(=O)c1cccs1)c1nc2ccccc2s1

BDBM61603

Cc1ccccc1N1CCN(CC1)c1ncnc2n(Cc3ccc(Cl)cc3)ncc12

BDBM64832

Cc1ccccc1OCCC(=O)NCCc1ccc(cc1)S(N)(=O)=O

BDBM61417

Cc1ccccc1Oc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)c1ccco1

BDBM51748

Cc1cccn2c1nc1n(C3CCCC3)c(=N)c(cc1c2=O)C(=O)NC1CCCC1

BDBM61594

Cc1cccn2c1nc1n(C3CCCC3)c(=N)c(cc1c2=O)C(=O)NCc1ccco1

BDBM76032

Cc1nc(N2CCN(CC2)C(=O)C2CCCCC2)c2c3CCCCc3sc2n1

BDBM76089

Cc1nc(N2CCN(CC2)C(=O)C2CCCO2)c2c3CCCCc3sc2n1

BDBM76038

Cc1nc(N2CCN(CC2)C(=O)COc2ccccc2C)c2c3CCCCc3sc2n1

BDBM76033

Cc1nc(N2CCN(CC2)C(=O)NCc2ccccc2)c2c3CCCCc3sc2n1

BDBM76039

Cc1nc(N2CCN(CC2)C(=O)c2ccc3OCCOc3c2)c2c3CCCCc3sc2n1

BDBM61427

Cc1nc(N2CCN(CC2)C(=O)c2ccco2)c2c3CCCCc3sc2n1

BDBM76037

Cc1nc(N2CCN(CC2)C(=O)c2cccs2)c2c3CCCCc3sc2n1

BDBM61100

Cc1nc(SCc2ccc(F)cc2)c2oc3ccccc3c2n1

BDBM61443

Cc1nn(c(OC(=O)c2cccs2)c1Sc1ccccc1)C(C)(C)C

BDBM76061

Cc1nnc(-c2ccc(Cl)cc2)c2cn(nc12)-c1ccccc1

BDBM57344

Cc1nnc(-c2cccc(Br)c2)c2cn(nc12)-c1ccc(Br)cc1

BDBM76066

Cc1nnc(-c2cccc(Br)c2)c2cn(nc12)-c1ccccc1

BDBM76064

Cc1nnc(-c2cccc3ccccc23)c2cn(nc12)-c1cccc(Br)c1

BDBM76062

Cc1nnc(-c2ccccc2)c2cn(nc12)-c1ccc(Cl)cc1

BDBM39940

Cc1nnc2sc(nn12)-c1ccc(C)c(NC(=O)c2ccc(o2)-c2cccc(Cl)c2)c1

BDBM40503

Cc1noc(C)c1COC(=O)c1cc2c3ccccc3n(C)c2s1

BDBM50459

Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3ccccn3)cc2)c1C

BDBM61528

Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4c(C)cc(C)cc34)-c3cccnc3)cc2)c1C

BDBM76087

Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccccc3Cl)cc2)c1C

BDBM61085

Cc1occc1C(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM61475

Cc1sc(NC(=O)c2cc(nc3ccccc23)-c2cccc(C)c2)c(C(N)=O)c1C

BDBM61462

Cc1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2C)c(C(N)=O)c1C

BDBM61578

ClC(C(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1

BDBM61523

ClC(C(=O)Nc1ccccc1Cl)C(=O)c1ccccc1

BDBM50449588

Clc1ccc(COc2cccc(\C=C3/N4CCSC4=NC3=O)c2)cc1 |c:19|

BDBM50449565

Clc1ccc(COc2cccc(\C=C3/N=C(NC3=O)SCCc3ccccc3)c2)cc1 |c:14|

BDBM50449577

Clc1ccc(COc2cccc(\C=C3/N=C(NC3=O)SCc3ccc(Br)cc3)c2)cc1 |c:14|

BDBM50449582

Clc1ccc(COc2cccc(\C=C3/N=C(NC3=O)SCc3ccc(Cl)cc3)c2)cc1 |c:14|

BDBM50449602

Clc1ccc(COc2cccc(\C=C3/N=C(NC3=O)SCc3ccccc3)c2)cc1 |c:14|

BDBM50449567

Clc1ccc(COc2cccc(\C=C3/N=C4SCCN4C3=O)c2)cc1 |t:14|

BDBM50449585

Clc1ccc(COc2cccc(\C=C3/NC(=S)NC3=O)c2)cc1

BDBM50449594

Clc1ccc(COc2cccc(\C=C3/SC(=O)NC3=O)c2)cc1

BDBM50449589

Clc1ccc(COc2cccc(\C=C3/SC(=S)NC3=O)c2)cc1

BDBM64803

Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4Br)cc3s2)cc1Cl

BDBM61609

Clc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCOCC4)cc3s2)cc1

BDBM61059

Clc1ccc(Cl)c(c1)-c1ccc(o1)C1NC(=O)C(C#N)C(=S)N1c1ccccc1

BDBM64834

Clc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2cccc(Cl)c2)cc1

BDBM64823

Clc1ccc(Cn2ncc3c(ncnc23)N2CCN(CC2)c2ccccc2)cc1

BDBM61005

Clc1ccc(NC(=O)N(Cc2ccco2)Cc2cccnc2)cc1Cl

BDBM61486

Clc1ccc(NC(=S)Nc2ccccc2Oc2ccccc2)c(Cl)c1

BDBM50449584

Clc1ccc(OCCCCCCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:22|

BDBM50449578

Clc1ccc(OCCCCCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:21|

BDBM50449561

Clc1ccc(OCCCCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:20|

BDBM50449598

Clc1ccc(OCCCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:19|

BDBM50449564

Clc1ccc(OCCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:18|

BDBM50449587

Clc1ccc(OCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:17|

BDBM50449563

Clc1ccc(OCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:16|

BDBM50151370

Clc1ccc(c(Cl)c1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1

BDBM61035

Clc1ccc(cc1)-c1ccc(\C=C(\C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1

BDBM61445

Clc1ccc(cc1)-c1noc(CSc2nnc(Cc3cccs3)n2-c2ccccc2)n1

BDBM61592

Clc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1

BDBM61058

Clc1ccc(cc1Cl)-c1ccc(\C=C(/C(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)o1

BDBM61539

Clc1ccc(nc1)N1C(SCC1=O)c1ccccc1Br

BDBM61042

Clc1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4o3)c2c1

BDBM61043

Clc1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4s3)c2c1

BDBM61496

Clc1ccc2oc3c(Cl)ncnc3c2c1

BDBM50449592

Clc1cccc(OCCCCCCOc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)c1 |t:21|

BDBM61512

Clc1cccc(c1)C1C(C#N)c2nc(=N)c3ccccc3n2C2=C1C(=O)CCC2 |c:25|

BDBM61102

Clc1ccccc1-c1nc2ccccc2[nH]1

BDBM61422

Clc1ccccc1CN(Cc1ccco1)Cc1nnnn1C1CCCC1

BDBM61527

Clc1ccccc1CSCc1n[nH]c(=S)n1C1CCCCC1

BDBM64825

Clc1ccccc1Cn1ncc2c(ncnc12)N1CCN(CC1)c1ccccc1

BDBM61010

Clc1ccccc1Cn1nnc2c(ncnc12)N1CCN(CC1)C(=O)c1ccco1

BDBM50449596

Clc1ccccc1OCCCCCCOc1cccc(\C=C2/N=C3SCCCN3C2=O)c1 |t:23|

BDBM61431

Clc1ncnc2scc(C3COc4ccccc4O3)c12

BDBM61047

Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc23)nc2ccccc12

BDBM44616

Cn1c2nc3N(CCCn3c2c(=O)n(C\C=C\c2ccccc2)c1=O)c1ccc(F)cc1

BDBM50561705

Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCCn3c2c(=O)n(C)c1=O

BDBM50221691

Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCCn3c2c(=O)n(C)c1=O

BDBM50561706

Cn1c2nc3N(CCc4c[nH]c5ccccc45)CCn3c2c(=O)n(C)c1=O

BDBM50221681

Cn1c2nc3N(CCc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O

BDBM50221697

Cn1c2nc3N(CCc4ccccc4)CCCn3c2c(=O)n(C)c1=O

BDBM50561707

Cn1c2nc3N(CCn3c2c(=O)n(C)c1=O)c1ccc(O)cc1

BDBM50212814

Cn1c2nc3N(Cc4ccc(Cl)cc4)CCCn3c2c(=O)n(C)c1=O

BDBM64836

Cn1cc(\C=C\c2cc[n+](C)cc2)c2cc(Cl)ccc12

BDBM32877

Cn1cccc1\C=C1/C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O

BDBM40314

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1

BDBM40155

FC(F)(F)c1cc(nc2c(Br)c(nn12)C(=O)NCc1ccco1)-c1cccs1

BDBM40268

FC(F)(F)c1cc(nc2cc(nn12)C(=O)NCc1ccco1)-c1ccc2OCOc2c1

BDBM35402

FC(F)(F)c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cnnc23)c1

BDBM61055

FC(F)(F)c1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4o3)c2c1

BDBM61037

FC(F)(F)c1ccc2Sc3ccccc3N(C(=O)CSc3nc4ccccc4s3)c2c1

BDBM76056

Fc1ccc(CC(=O)N2CCC(CC2)n2nc(oc2=O)-c2ccccc2)cc1

BDBM50500393

Fc1ccc(CNS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(cc3)-c3ccccc3)cc2)cc1

BDBM50449590

Fc1ccc(COc2cccc(\C=C3/N=C4SCCCN4C3=O)c2)cc1 |t:14|

BDBM50449600

Fc1ccc(CSC2=N\C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)N2)cc1 |t:7|

BDBM61497

Fc1ccc(CSc2ncnc3scc(-c4ccccc4)c23)cc1

BDBM61522

Fc1ccc(cc1)-c1ccc(\C=C2\SC(=NC2=O)N2CCOCC2)o1 |c:15|

BDBM57502

Fc1ccc(cc1)-c1n[nH]cc1C=C1SC(=N)N(C1=O)c1ccccc1F |w:12.13|

BDBM61581

Fc1ccc(cc1)C(=O)NC(=S)NC1CCN(Cc2ccccc2)CC1

BDBM47164

Fc1ccc(cc1)C(=O)OCn1ncc(Br)c(Br)c1=O

BDBM64831

Fc1ccc(cc1)N1CCN(CC1)c1ncnc2n(Cc3ccc(Cl)cc3Cl)ncc12

BDBM61063

Fc1ccc(cc1)S(=O)(=O)N(C(=O)c1ccncc1)c1ccc2oc3CCCCc3c2c1

BDBM61084

Fc1cccc(Cl)c1Cn1nnc2c(ncnc12)N1CCN(CC1)C=O

BDBM76054

Fc1ccccc1CC(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1

BDBM61140

Fc1ccccc1CN1c2cc(ccc2S(=O)(=O)c2ccccc2C1=O)C(=O)N1CCCC1

BDBM50278328

Ic1ccc2oc(=O)c(Cc3ccccc3)cc2c1

BDBM61420

N#Cc1c(N=CN2CCCC2)oc(c1-c1ccccc1)-c1ccccc1

BDBM50946

N=C1OC2=C(CC\C2=C/c2ccccc2)C(C1C#N)c1ccccc1 |t:3|

BDBM51557

N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NC1CCCC1

BDBM76050

N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NC1CCCCC1

BDBM76048

N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCCN1CCOCC1

BDBM76049

N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCCc1ccccc1

BDBM76047

N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCc1ccccc1

BDBM76041

N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCc1cccnc1

BDBM76046

N=c1c(cc2c(nc3ccccn3c2=O)n1C1CCCC1)C(=O)NCc1ccco1

BDBM49794

NC(=NOC(=O)c1cc(Br)ccc1Cl)c1ccccn1 |w:2.2|

BDBM58056

NC(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:4.4|

BDBM61404

NC(=O)c1cc(nc(n1)N1CCOCC1)-c1ccccc1

BDBM61116

NC(=S)NN=Cc1c[nH]c2ccc(OCc3ccccc3)cc12 |w:4.3|

BDBM75871

NC(=S)NN=Cc1c[nH]nc1-c1ccccc1 |w:4.3|

BDBM61503

NNC(=O)COc1ccc(-c2n[nH]c(c2-c2ccc(Br)cc2)C(F)(F)F)c(O)c1

BDBM61409

Nc1c(c(O)cn1CCCN1CCOCC1)-c1nc(cs1)-c1ccc(F)cc1

BDBM61056

Nc1c(sc2nc3ccc(OC(F)(F)F)cc3cc12)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1

BDBM61549

Nc1ccc(N2CCCCC2)c(c1)S(=O)(=O)Nc1ccccc1Cl

BDBM61032

Nc1ccc(Oc2ccc3nc(-c4ccccc4)c(nc3c2)-c2ccccc2)cc1

BDBM50099737

Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21

BDBM60445

Nc1nc2ccc(cc2s1)S(=O)(=O)N1CCCCC1

BDBM61470

Nc1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(n1)-c1ccc(Cl)cc1

BDBM43477

O=C(C=Cc1cccnc1)C=Cc1cccnc1

BDBM61544

O=C(COC(=O)c1ccc(NC(=O)CC#N)cc1)Nc1ccccc1Sc1ccccc1

BDBM61454

O=C(CSc1nc(c([nH]1)-c1ccccc1)-c1ccccc1)N1CCN(CC1)S(=O)(=O)c1ccccc1

BDBM61050

O=C(CSc1nc2ccccc2o1)N1c2ccccc2Sc2ccccc12

BDBM61396

O=C(CSc1nc2ccccc2o1)Nc1ccccc1N1CCCCCC1

BDBM61036

O=C(CSc1nc2ccccc2s1)N1c2ccccc2Sc2ccccc12

BDBM60035

O=C(CSc1nnc(Nc2ccccc2)s1)NN1C(=O)NC2(CCCCC2)C1=O

BDBM76057

O=C(Cc1ccc2OCOc2c1)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1

BDBM76060

O=C(N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)C1(CC1)c1ccccc1

BDBM76055

O=C(N1CCC(CC1)n1nc(oc1=O)-c1ccccc1)C1(CCCC1)c1ccccc1

BDBM50151367

O=C(N1CCC(CC1)n1nc(oc1=O)-c1cccnc1)C1(CC1)c1ccccc1

BDBM61399

O=C(N1CCN(CC1)c1nc(nc2sc3CCCCc3c12)C1CC1)c1ccco1

BDBM50269025

O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccncc1)c1ccccc1)c1ccc2cccnc2c1

BDBM50500395

O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)NCCc1ccccc1)c1ccc(cc1)-c1ccccc1

BDBM50500397

O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccccc1)c1ccc(cc1)-c1ccccc1

BDBM50500384

O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)NCc1ccco1)c1ccc(cc1)-c1ccccc1

BDBM50500392

O=C(NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1)c1ccc(cc1)-c1ccccc1

BDBM61489

O=C(NC(=S)Nc1ccccc1N1CCOCC1)C=Cc1ccco1 |w:18.19|

BDBM61444

O=C(NCCSCc1ccccc1)c1ccc(cc1)C1SCC(=O)N1Cc1ccccc1

BDBM50500389

O=C(NCCc1ccccc1)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1

BDBM50500390

O=C(NCc1ccccc1)c1ccc(NC(=S)NC(=O)c2ccc(cc2)-c2ccccc2)cc1

BDBM61142

O=C(N[C@@H]1CCN([C@H](CSc2ccccc2)Cc2ccccc2)C(=O)CC1)OCc1ccccc1

BDBM61103

O=C(Nc1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1)c1cc2CCCc2s1

BDBM76073

O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1cc(nc2ccccc12)-c1ccccc1

BDBM76076

O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1cc(nc2ccccc12)-c1cccs1

BDBM50683

O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)c1cc(nc2ccccc12)-c1ccncc1

BDBM64811

O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccccc1C(=O)N1CCOCC1

BDBM61455

O=C(Nc1ccccc1N1CCCCC1)c1ccc(cc1)N1C(=O)c2ccccc2C1=O

BDBM61546

O=C(Nc1ccccc1N1CCOCC1)c1cc(nc2ccccc12)-c1ccncc1

BDBM61053

O=C(ON=C(c1ccccc1)c1ccccn1)c1cccc2ccccc12

BDBM61069

O=C(\C=C/c1ccccc1OC(=O)c1ccccc1)c1cc2ccccc2o1

BDBM50300351

O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O |c:2,17|

BDBM576

O=C1C=CC(=O)N1N(c1ccccc1)c1ccccc1 |c:2|

BDBM61480

O=C1N(C2CCS(=O)(=O)C2)C(=S)S\C1=C/c1ccncc1

BDBM50449599

O=C1N2CCCSC2=N\C1=C/c1cccc(OCCCc2ccccc2)c1 |c:8|

BDBM50449562

O=C1N2CCCSC2=N\C1=C/c1cccc(OCCc2ccccc2)c1 |c:8|

BDBM61027

O=C1N=c2ccccc2=C1NN=CC1=C(N2CCOCC2)C(CC1)=Cc1ccccc1 |w:11.12,24.28,c:9,15,t:2|

BDBM59540

O=C1NC(=O)\C(=C/C=C/c2ccco2)C(=O)N1Cc1ccccc1

BDBM61115

O=CC1=C(Oc2ccccc2O1)c1ccccc1 |t:2|

BDBM61426

O=c1n2c(nc3ccccc13)-c1ccccc1CC21CCCCC1

BDBM50278257

O=c1oc2ccc3ccccc3c2cc1Cc1ccccc1

BDBM50278256

O=c1oc2ccccc2cc1Cc1ccccc1

BDBM61552

OC(=O)C(=Cc1c[nH]nc1-c1cccc(Br)c1)C#N |w:4.4|

BDBM61551

OC(=O)C(=Cc1c[nH]nc1-c1ccccc1Br)C#N |w:4.4|

BDBM50436002

OC(=O)c1cc(=O)c2cccc(NC(=O)c3ccc4ccccc4c3)c2o1

BDBM61533

OC(=O)c1cc(NS(=O)(=O)c2ccc(NC3CCCCC3)c(c2)[N+]([O-])=O)cc(c1)C(O)=O

BDBM61601

OC(=O)c1ccc(Cl)c(NC(=S)NC(=O)c2cccc(COc3ccccc3)c2)c1

BDBM61580

OC(=O)c1ccc(Cl)c(c1)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1

BDBM61648

OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C/C=C/c3ccccc3)C2=O)cc1

BDBM61649

OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\C=C\c3ccccc3)C2=O)cc1

BDBM61656

OC(=O)c1ccc(NC(=O)CCCN2C(=O)S\C(=C\c3ccccc3)C2=S)cc1

BDBM61650

OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1

BDBM64829

OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)cc1O

BDBM61652

OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1O

BDBM61646

OC(=O)c1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)cc1

BDBM61139

OC(=O)c1ccc(cc1)-n1[nH]c(=C)c(=Cc2ccc(o2)-c2ccccc2F)c1=O |w:14.15|

BDBM48878

OC(=O)c1ccc(cc1)N1C(=O)\C(=C\c2ccc(o2)-c2ccc(cc2)[N+]([O-])=O)C=C1c1ccccc1 |c:31|

BDBM61077

OC(=O)c1cccc(CSc2nnc([nH]2)-c2ccc(Cl)cc2Cl)c1

BDBM61653

OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccc4OCOc4c3)C2=O)c1

BDBM61645

OC(=O)c1cccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)c1

BDBM43445

OC(=O)c1cccc(c1)-n1[nH]c(=C)c(=CC=Cc2ccccc2)c1=O |w:14.15|

BDBM48872

OC(=O)c1cccc(c1)N1C(=S)S\C(=C/c2ccc(SCc3ccc(Cl)cc3)o2)C1=O

BDBM61579

OC(CNCCc1ccc(cc1)C(F)(F)F)COC(c1ccccc1)c1ccccc1

BDBM50269010

OCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3cc(CCO)ccc3c2)cc1

BDBM50269027

OCCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc3cccnc3c2)cc1

BDBM61024

OCCNc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1

BDBM50269028

OCCc1ccc2cc(ccc2c1)C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(CO)o1)c1ccccc1

BDBM50269030

OCc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc4cccnc4c3)cc2)o1

BDBM61060

Oc1c(Cl)cc(Cl)cc1C=Nc1ccccc1N1CCCC1 |w:10.11|

BDBM76077

Oc1ccc(-c2n[nH]c(c2-c2ccccc2)C(F)(F)F)c(O)c1

BDBM50269026

Oc1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc4cccnc4c3)cc2)cc1

BDBM61566

Oc1ccc(CN=Nc2nc(nc3ccccc23)-c2ccccc2F)c(O)c1 |w:7.7|

BDBM64827

Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1

BDBM64807

Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C/c3cccs3)C2=O)cc1

BDBM64804

Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3ccccc3)C2=O)cc1

BDBM64812

Oc1ccc(NC(=O)CCCN2C(=S)S\C(=C\c3cccs3)C2=O)cc1

BDBM50505246

Oc1ccc(O)c2C(=O)C(Cl)=C(Cl)C(=O)c12 |t:10|

BDBM50505245

Oc1ccc(O)c2C(=O)C(N3CCCC3)=C(Cl)C(=O)c12 |t:15|

BDBM50505240

Oc1ccc(O)c2C(=O)C(N3CCCCC3)=C(Cl)C(=O)c12 |t:16|

BDBM50505247

Oc1ccc(O)c2C(=O)C(N3CCOCC3)=C(Cl)C(=O)c12 |t:16|

BDBM41300

Oc1ccc(cc1)C(=C)c1ccc(O)cc1

BDBM50077844

Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1

BDBM61565

Oc1ccc2C(c3ccccc3)c3c(Oc2c1)ncn(Cc1ccco1)c3=N

BDBM50434892

Oc1cccc2oc(=O)c(Cc3ccccc3)cc12

BDBM61572

Oc1ccccc1C1CC(=NN1C(=O)c1ccccc1)c1cccs1 |c:10|

BDBM61537

S=C(Nc1ccc(Oc2ccccc2)cc1)N(CCCN1CCOCC1)Cc1ccccn1

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|

BDBM61039

[#6]-[#6]-[#8]-[#6](=O)-[#6](=[#6]/c1ccc(o1)-c1ccsc1-[#6](=O)-[#8]-[#6])\[#6](=O)-[#8]-[#6]-[#6]

BDBM61509

[#6]-[#7](-[#6]-[#6](-[#8])-[#6]-[#8]\[#7]=[#6]-1\c2ccccc2-c2ccccc-12)S(=O)(=O)c1ccc(Br)cc1

BDBM61064

[#6]-[#8]-c1ccc(\[#6]=[#6](\c2nc3ccccc3s2)-c2nc3ccccc3s2)cc1-[#8]

BDBM61114

[#6]-[#8]-c1ccc(\[#6]=[#6]-2\[#6]=[#6](-[#6](=O)-[#6](=[#6]-2)C([#6])([#6])[#6])C([#6])([#6])[#6])cc1-[#8]-[#6] |c:8,12|

BDBM61012

[#6]-c1ccc(cc1)-[#6](=O)-[#6](\[#6](=O)\[#6]=[#6]\c1ccccc1)=[#6]-1\[#16]-[#6]-[#6]-[#6]-[#16]-1

BDBM61075

[#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-c2ccccc2)cc1

BDBM61066

[Br-].O=C(c1ccccc1)c1c-2c(cc3sc4ccccc4[n+]13)-c1cccc3cccc-2c13

BDBM61432

[H]C12CC3([H])CC(C1)(CC([H])(C2)CC3)c1csc(N)n1 |TLB:12:9:7:3.5.2,THB:2:1:8:3.5.13.12,2:3:8:1.7.11,11:1:5:9.8.13.12,11:9:5:1.7.2,13:3:7:9.8.11|

BDBM57142

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

BDBM43416

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)NC(=O)Cn1ncc(Cl)c(Cl)c1=O |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:5:6:11:3.12.2|

BDBM61505

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1ccc(o1)-c1ccc(Cl)cc1 |TLB:5:3:11:6.9.8,THB:2:1:9:3.12.5,2:3:9:1.11.8|

BDBM61484

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1cc([nH]n1)C(=O)NN=Cc1ccc(O)c(OC)c1 |w:21.24,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5,2:3:9:1.11.8|

BDBM61500

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1cc([nH]n1)C(=O)NN=Cc1ccc(OC)c(OC)c1 |w:21.24,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5,2:3:9:1.11.8|

BDBM61570

[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(OC)c(c1)C(=O)NCCN(C)C |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|

BDBM61529

[H]C12CC3([H])CC([H])(C1)CC(CC(=O)NC(=S)NCc1ccco1)(C2)C3 |TLB:5:3:24:6.9.8,THB:2:3:9:1.24.8,2:1:9:3.25.5|

BDBM61582

[H]C12CC3([H])CC([H])(C1)CC(CC(=O)Nc1ccc(cc1)C(=O)NC)(C2)C3 |TLB:8:1:26:6.9.5,8:6:26:1.25.2,THB:5:6:25:3.26.2|

BDBM61526

[H]C12CC3([H])CC([H])(C1)CC(CCOCC(O)CNC(C)c1ccccc1)(C2)C3 |TLB:5:3:27:6.9.8,THB:2:3:9:1.27.8,5:6:27:3.28.2|

BDBM57340

[H]C12CCC(C)(C(C1)=NNC1=NC(=O)C(S1)=Cc1ccc(OC)cc1)C2(C)C |w:8.9,16.18,t:11,TLB:8:6:25:3.2|

BDBM61543

[H]C12CCC([H])(C1)C(C2)NC(=S)N(Cc1c(C)noc1C)c1ccccc1 |TLB:9:7:6:3.2|

BDBM61412

[H]C12CCC([H])(C1)C1C2Sc2[nH]c(=O)sc2C1c1ccc(O)c(OC)c1 |TLB:16:7:6:3.2,THB:9:8:6:3.2|

BDBM60997

[H]C12CCC([H])(CC(O)(C1)c1ccc(OC)cc1)N2c1cc(C)nc(n1)-c1ccccc1 |TLB:8:7:18:2.3,THB:10:7:18:2.3|

BDBM61520

[H]C12CCC([H])(N1C)\C(=C\c1ccccn1)C(=O)\C2=C/c1ccccn1 |TLB:19:18:6:3.2,THB:9:8:6:3.2|

BDBM50511105

[H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)Oc1cc(CCC)cc(O)c21 |r,t:2|

BDBM50532215

[H][C@]1(CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O)C(C)=C |r,c:5|

BDBM32337

[H][C@]12C[C@H](NC)[C@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |TLB:13:12:11:6.3.2,19:35:11:6.3.2,THB:7:6:11:12.33.35.34,32:33:11:6.3.2,26:34:11:6.3.2|

BDBM61057

[O-][N+](=O)\C=C\c1cn(Cc2ccccc2C#N)c2ccccc12

BDBM61482

[O-][N+](=O)c1c(NC(c2ccccc2)c2ccccc2)c2ccccc2oc1=O

BDBM61490

[O-][N+](=O)c1cc(ccc1Oc1ccccc1C(=O)Nc1ccccc1Cl)C(F)(F)F

BDBM61524

[O-][N+](=O)c1ccc(Oc2cccc(c2)C(=O)N2CCCCC2)c(Cl)c1

BDBM31372

[O-][N+](=O)c1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 |t:10|

BDBM61558

[O-][N+](=O)c1ccccc1\C=C(/C#N)C(=O)NCc1ccccc1

BDBM57077

c1[nH]c2ccccc2c1-c1c2ccccc2nc2ccccc12 |(8.42,1.48,;7.95,2.94,;6.42,2.94,;5.4,4.09,;3.89,3.77,;3.41,2.31,;4.44,1.16,;5.95,1.48,;7.19,.58,;7.19,-.96,;8.52,-1.73,;9.9,-.9,;11.29,-1.7,;11.29,-3.3,;9.9,-4.09,;8.52,-3.27,;7.19,-4.04,;5.85,-3.27,;4.48,-4.09,;3.08,-3.3,;3.08,-1.7,;4.48,-.9,;5.85,-1.73,)|

BDBM64837

c1ccc(cc1)-c1n[n+](c(s1)-c1ccccc1)-c1ccccc1

BDBM58091

c1ccc(cc1)-c1nc(oc1-c1ccccc1)-c1nccc2ccccc12

BDBM57151

c1ccc(cc1)-c1noc(n1)-c1ccccc1-c1ccccc1