SMILES for Cyclin-dependent kinase 12

CC(=O)N(C1CCC(CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |(2.68,4.11,;1.35,3.34,;.01,4.11,;1.35,1.8,;.01,1.03,;-1.32,1.8,;-2.66,1.03,;-2.66,-.51,;-1.32,-1.28,;.01,-.51,;-3.99,-1.28,;-5.32,-.51,;-5.32,1.03,;-6.65,1.8,;-7.99,1.03,;-7.99,-.52,;-6.65,-1.28,;-9.32,1.8,;-10.65,2.57,;2.68,1.03,;4.01,1.8,;5.34,1.03,;5.34,-.51,;4.02,-1.28,;2.68,-.52,;6.68,-1.28,;6.84,-2.81,;8.34,-3.13,;9.11,-1.8,;10.65,-1.8,;8.08,-.66,)|

BDBM50367847

CC(=O)N([C@@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wD:7.10,4.3,(23.25,-19.82,;21.93,-20.61,;20.58,-19.86,;21.86,-22.15,;20.54,-22.94,;20.56,-24.48,;19.23,-25.27,;17.89,-24.52,;17.87,-22.98,;19.19,-22.19,;16.57,-25.3,;15.22,-24.55,;13.9,-25.34,;12.55,-24.58,;12.53,-23.04,;13.86,-22.26,;15.2,-23.01,;11.19,-22.29,;9.84,-21.53,;23.17,-22.98,;24.54,-22.26,;25.84,-23.08,;25.77,-24.62,;24.41,-25.34,;23.11,-24.52,;27.08,-25.45,;27.17,-26.98,;28.67,-27.36,;29.49,-26.06,;31.03,-25.96,;28.51,-24.88,)|

BDBM50367919

CC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(23.25,-19.82,;21.93,-20.61,;20.58,-19.86,;21.86,-22.15,;20.54,-22.94,;20.56,-24.48,;19.23,-25.27,;17.89,-24.52,;17.87,-22.98,;19.19,-22.19,;16.57,-25.3,;15.22,-24.55,;13.9,-25.34,;12.55,-24.58,;12.53,-23.04,;13.86,-22.26,;15.2,-23.01,;11.19,-22.29,;9.84,-21.53,;23.17,-22.98,;24.54,-22.26,;25.84,-23.08,;25.77,-24.62,;24.41,-25.34,;23.11,-24.52,;27.08,-25.45,;27.17,-26.98,;28.67,-27.36,;29.49,-26.06,;31.03,-25.96,;28.51,-24.88,)|

BDBM50367857

CC(=O)N([C@H]1CC[C@@H](CC1)Nc1ncc2ccccc2n1)c1ccc(cc1)-c1cnn(C)c1 |r,wU:4.3,wD:7.10,(61.19,-8.94,;59.85,-9.71,;58.52,-8.94,;59.85,-11.25,;58.51,-12.02,;58.51,-13.56,;57.18,-14.32,;55.86,-13.55,;55.83,-12.02,;57.18,-11.24,;54.52,-14.32,;53.19,-13.56,;51.85,-14.33,;50.51,-13.56,;50.51,-12.01,;49.19,-11.25,;49.18,-9.72,;50.51,-8.95,;51.84,-9.71,;51.84,-11.24,;53.18,-12.01,;61.19,-12.03,;61.17,-13.56,;62.51,-14.33,;63.84,-13.57,;63.84,-12.02,;62.51,-11.25,;65.18,-14.34,;65.34,-15.87,;66.85,-16.19,;67.62,-14.85,;69.15,-14.69,;66.59,-13.71,)|

BDBM50528817

CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|

BDBM454542

CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(F)cn1 |r|

BDBM454519

CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CCCCc23)c(Cl)cn1 |r|

BDBM50614150

CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)C(=C\c3ccccc3)\C#N)nc2n(C2CCCC2)c1=O

BDBM50614149

CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)C=C)nc2n(C2CCCC2)c1=O

BDBM50614148

CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCN(C\C=C\C(F)(F)F)CC3)nc2n(C2CCCC2)c1=O

BDBM6309

CC(=O)c1c(C)c2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n(C2CCCC2)c1=O

BDBM478940

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(C2=CCCN(C2)C(=O)C=C)c(F)c1 |t:19|

BDBM478942

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(C2=CCN(CC2)C(=O)C=C)c(F)c1 |w:1.0,t:19|

BDBM478489

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCC(CC1)NC(=O)C=C |t:22|

BDBM478491

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCCN(CC1)C(=O)C=C |t:22|

BDBM478430

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:22|

BDBM478360

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)N1CCC(CC1)NC(=O)C=C

BDBM478931

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)N1CCN(CC1)C(=O)C=C

BDBM478934

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCCN(C1)C(=O)C=C |t:22|

BDBM478782

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCCN(C1)C(=O)C=C |w:1.0,t:22|

BDBM478936

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(C1)C(=O)C=C |t:22|

BDBM478944

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(C1)C(=O)C=C |w:1.0,t:22|

BDBM478281

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(CC1)C(=O)C=C |t:22|

BDBM478326

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(CC1)C(=O)C=C |w:1.0,t:22|

BDBM478939

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1CCCN(C1)C(=O)C=C

BDBM478946

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1CCN(C1)C(=O)C=C

BDBM478329

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1CCN(CC1)C(=O)C=C

BDBM478354

CC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)N1CCN(CC1)C(=O)C=C

BDBM50539904

CC(C)(C)c1cnc(CSc2cnc(N[C@@H]3CCCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)s2)o1 |r|

BDBM50298225

CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc12

BDBM478953

CC(C)=CC(=O)N1CCC=C(C1)c1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cn1 |c:9,(-10.45,-.25,;-9.12,.52,;-9.12,2.06,;-7.79,-.25,;-6.45,.52,;-6.45,2.06,;-5.12,-.25,;-5.12,-1.79,;-3.78,-2.56,;-2.45,-1.79,;-2.45,-.25,;-3.78,.52,;-1.12,.52,;-1.12,2.06,;.22,2.83,;1.55,2.06,;2.88,2.83,;4.22,2.06,;4.22,.52,;5.55,2.83,;6.88,2.06,;6.88,.52,;8.35,.04,;9.25,1.29,;8.35,2.54,;9.12,-1.29,;9.12,-2.83,;10.45,-2.06,;1.55,.52,;.22,-.25,)|

BDBM50367682

CC(C)C(=O)OC[C@@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc(N)c2c(C(N)=O)c(Br)nc12 |r|

BDBM478938

CC(C)C(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCCN(C1)C(=O)C=C |t:24|

BDBM478800

CC(C)C(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)C=C |t:24|

BDBM478941

CC(C)C(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCCN(C1)C(=O)C=C |t:24|

BDBM478893

CC(C)C(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCN(CC1)C(=O)C=C |t:24|

BDBM479067

CC(C)Cc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|

BDBM50539721

CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r|

BDBM50573930

CC(C)c1n(C)nc2ccc(cc12)-c1ccnc(Nc2ccc3c(ccnc3c2)N2CCN(C)CC2)n1

BDBM50597424

CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3cnccn3)nc(SCCN)nc12

BDBM50597419

CC(C)c1n[nH]c2c(NCc3ccc(cc3)-n3ccnc3)nc(SCCN)nc12

BDBM50605448

CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2nccc(Sc3cnc(cn3)N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c2Cl)ncc1F |r|

BDBM50571440

CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O

BDBM50588263

CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1

BDBM50588264

CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCC2)CC1

BDBM50588262

CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCCC2)CC1

BDBM50584003

CC(C)n1cnc2c(NCc3nc4cc(F)c(NCCCCCCCCCCCCNC(=O)COc5cccc6C(=O)N(C7CCC(=O)NC7=O)C(=O)c56)cc4[nH]3)nc(nc12)N1CCOCC1

BDBM50584002

CC(C)n1cnc2c(NCc3nc4cc(F)c(NCCCCCCCCNC(=O)COc5cccc6C(=O)N(C7CCC(=O)NC7=O)C(=O)c56)cc4[nH]3)nc(nc12)N1CCOCC1

BDBM50584001

CC(C)n1cnc2c(NCc3nc4cc(F)c(NCCCCCCNC(=O)COc5cccc6C(=O)N(C7CCC(=O)NC7=O)C(=O)c56)cc4[nH]3)nc(nc12)N1CCOCC1

BDBM50590456

CC(C)n1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r|

BDBM50597407

CC(O)CSc1nc(NCc2ccc(cc2)-n2cccn2)c2n[nH]c(C(C)C)c2n1

BDBM50583929

CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F |r|

BDBM50583920

CC1(C)CC[C@@H](CN1)Nc1ncc(c(n1)-c1c[nH]c2ccccc12)C(F)(F)F |r|

BDBM50583928

CC1(C)CNC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2c(c(ccc12)C#N)P(C)(C)=O)C(F)(F)F |r|

BDBM50583922

CC1(C)CNC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2ccccc12)C(F)(F)F |r|

BDBM479043

CCC(=C)C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM479001

CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1nccc(n1)-c1cn[nH]c1 |r|

BDBM479002

CCC(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1nccc(n1)N1CCOCC1 |r|

BDBM478974

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Br)c(OC)n1 |r|

BDBM478977

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|

BDBM478976

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(C)c(OC2CC2)n1 |r|

BDBM478975

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(OC2CC2)n1 |r|

BDBM478978

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(OCC(F)(F)F)n1 |r|

BDBM478973

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(F)c(OC2CC2)n1 |r|

BDBM479003

CCC(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1nccc(n1)-c1cn[nH]c1 |r|

BDBM478937

CCC(C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(nc1)C1=CCCN(C1)C(=O)C=C |t:23|

BDBM50593922

CCC(CC)c1cc(N[C@H]2CC[C@H](N)C2)n2nccc2n1 |r|

BDBM50404389

CCCc1cc(N[C@@H]2CC[C@@H](N)C2)n2nccc2n1 |r|

BDBM50583189

CCN(CC)c1cnc2ccc(cc2n1)-c1nc(Nc2ccc(cn2)N2CCNCC2)ncc1F

BDBM50598078

CCN1C(=O)COc2c(CN3CCN(CC3)C(C)=O)cc(Nc3ncc(F)c(n3)-c3ccc(F)cc3OC)cc12

BDBM50367843

CCNC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wU:6.5,wD:9.12,(20.34,-20.62,;21.68,-21.38,;23.01,-20.6,;24.35,-21.36,;25.68,-20.58,;24.28,-22.9,;22.96,-23.68,;22.97,-25.22,;21.64,-26,;20.3,-25.24,;20.29,-23.7,;21.61,-22.92,;18.97,-26.02,;17.63,-25.26,;16.3,-26.04,;14.96,-25.28,;14.95,-23.74,;16.28,-22.96,;17.62,-23.72,;13.61,-22.98,;12.27,-22.22,;25.58,-23.73,;26.95,-23.02,;28.25,-23.85,;28.18,-25.39,;26.81,-26.1,;25.52,-25.27,;29.48,-26.22,;29.57,-27.75,;31.07,-28.14,;31.89,-26.85,;33.43,-26.75,;30.92,-25.65,)|

BDBM479083

CCOCCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)N2CCN(C)CC2)ncc1Cl |r|

BDBM479113

CCOCCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM479081

CCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(CNC(=O)\C=C\CN(C)C)cc2)ncc1Cl |r|

BDBM479103

CCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OC3CCOC3)c2)ncc1Cl |r|

BDBM479079

CCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)N2CCN(C)CC2)ncc1Cl |r|

BDBM479056

CCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM479112

CCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cn2)ncc1Cl |r|

BDBM479073

CCc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(cc2)N(C)C(=O)C=C)nc1 |r|

BDBM50583926

CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2c(c(ccc12)C#N)S(C)(=O)=O |r|

BDBM50583917

CCc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|

BDBM50139171

CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|

BDBM50540077

CCn1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r|

BDBM479064

CN(C(=O)C=C)c1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|

BDBM478988

CN(C(=O)C=C)c1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM479030

CN(C(=O)C=C)c1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(cn1)C#N |r|

BDBM479087

CN(C)C1CCN(C1)c1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM479118

CN(C)C1CCN(CC1)c1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|

BDBM479119

CN(C)CCN(C)c1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|

BDBM479117

CN(C)CCOc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|

BDBM479072

CN(C)CCOc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM479125

CN(C)CCOc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(cn1)C#N |r|

BDBM479089

CN(C)C\C=C\C(=O)N1CCOc2c1cccc2C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM479109

CN(C)C\C=C\C(=O)N1CCc2cc(ccc2C1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM479106

CN(C)C\C=C\C(=O)N1CCc2ccc(cc12)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM479082

CN(C)C\C=C\C(=O)NCc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM50573521

CN(C)C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1 |r|

BDBM50573518

CN(C)C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|

BDBM50573520

CN(C)C\C=C\C(=O)Nc1ccc(O[C@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|

BDBM50573507

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50540080

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573503

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Br)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573504

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(C2CC2)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50528813

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573505

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(c(n1)-c1c[nH]c2ccccc12)C(F)(F)F |r|

BDBM50573506

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM479058

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM50528811

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50110178

CN(C)C\C=C\C(=O)Nc1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1

BDBM50573510

CN(C)C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573508

CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50528812

CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@@]1(C)CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50528814

CN(C)C\C=C\C(=O)Nc1ccc(nc1)C(=O)N[C@H]1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573512

CN(C)C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM479094

CN(C)\C=C(/C#N)C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM479095

CN(C)\C=C(/C#N)C(=O)Nc1cccc(c1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM50519662

CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1

BDBM479078

CN(C)c1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C(F)(F)F |r|

BDBM479046

CN(C)c1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM50367912

CN(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1cnn(C)c1)c1ccc(cn1)C#N

BDBM479123

CN1CC[C@@H](C1)Oc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|

BDBM5655

CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|

BDBM479122

CN1CC[C@H](C1)Oc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|

BDBM2579

CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|

BDBM479080

CNc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C(F)(F)F |r|

BDBM479022

CNc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM50367856

COC(=O)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cnn(C)c1 |r,wU:5.4,wD:8.11,(21.69,-21.38,;23.01,-20.6,;24.35,-21.36,;25.68,-20.58,;24.28,-22.9,;22.96,-23.68,;22.97,-25.22,;21.64,-26,;20.3,-25.24,;20.29,-23.7,;21.62,-22.92,;18.97,-26.02,;17.63,-25.26,;16.31,-26.04,;14.96,-25.28,;14.95,-23.74,;16.28,-22.96,;17.62,-23.72,;13.61,-22.98,;12.27,-22.22,;25.59,-23.73,;26.96,-23.02,;28.26,-23.85,;28.19,-25.39,;26.81,-26.1,;25.52,-25.27,;29.48,-26.22,;29.57,-27.75,;31.07,-28.14,;31.89,-26.85,;33.44,-26.75,;30.92,-25.66,)|

BDBM50583997

COCCOCCOc1cc2[nH]c(CNc3nc(OCC[C@@H]4CCCCN4)nc4n(cnc34)C(C)C)nc2cc1F |r|

BDBM50583999

COCCOCCOc1cc2[nH]c(CNc3nc(nc4n(cnc34)-c3cnn(C)c3)N3CCOCC3)nc2cc1F

BDBM50583998

COCCOCCOc1cc2[nH]c(CNc3nc(nc4n(cnc34)C(C)C)N3CCOCC3)nc2cc1F

BDBM479048

COCCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM50573517

COc1cc(NC(=O)\C=C\C)c(C)cc1N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM479014

COc1cc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM50588261

COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1)C(=O)N1CCCC1

BDBM478961

COc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(OC)n1 |r|

BDBM478991

COc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM50367677

COc1ccc(NC2CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2cnn(C)c2)nc1

BDBM478997

COc1ccnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)n1 |r|

BDBM479066

COc1nc(N[C@@H]2CCCN(C2)C(=O)c2cccc(NC(=O)C=C)c2)ncc1Cl |r|

BDBM479061

COc1nc(N[C@@H]2CCCN(C2)C(=O)c2csc(NC(=O)C=C)n2)ncc1Cl |r|

BDBM479084

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C#C)cc2)ncc1Cl |r|

BDBM479111

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C#CC)cc2)ncc1Cl |r|

BDBM479102

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C3CO3)cc2)ncc1Cl |r|

BDBM478986

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(C)c2)ncc1Cl |r|

BDBM478965

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(Cl)c2)ncc1Cl |r|

BDBM479124

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OCCN(C)C)c2)ncc1C#N |r|

BDBM479104

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OCCN(C)C)c2)ncc1Cl |r|

BDBM479131

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OCCN3CCCC(F)(F)C3)c2)ncc1Cl |r|

BDBM478964

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)-c2cnn(C)c2)ncc1Cl |r|

BDBM478971

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)N2CCCCC2)ncc1Cl |r|

BDBM478969

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)N2CCN(C)CC2)ncc1C |r|

BDBM479038

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)N2CCN(C)CC2)ncc1Cl |r|

BDBM478970

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(c2)N2CCOCC2)ncc1Cl |r|

BDBM478980

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Br |r|

BDBM479141

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C#C |r|

BDBM479120

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C#N |r|

BDBM479059

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C1CC1 |r|

BDBM479007

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM479019

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1F |r|

BDBM479110

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\C)cn2)ncc1Cl |r|

BDBM479077

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN(C)C)c(C)c2)ncc1Cl |r|

BDBM479105

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN(C)C)c(F)c2)ncc1Cl |r|

BDBM479074

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN(C)C)cc2)ncc1Cl |r|

BDBM479132

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCCC(F)(F)C3)cc2)ncc1Cl |r|

BDBM479137

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCC[C@@H](F)C3)cc2)ncc1Cl |r|

BDBM479135

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCC[C@@H](F)C3)cn2)ncc1Cl |r|

BDBM479136

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCC[C@H](F)C3)cc2)ncc1Cl |r|

BDBM479134

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCC[C@H](F)C3)cn2)ncc1Cl |r|

BDBM479127

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCOCC3)cc2)ncc1Cl |r|

BDBM479133

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CCOCC3)cn2)ncc1Cl |r|

BDBM479126

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@@H](F)C3)cc2)ncc1Cl |r|

BDBM479129

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@@H](F)C3)cn2)ncc1Cl |r|

BDBM479138

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@@H](F)C3)nc2)ncc1Cl |r|

BDBM479128

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@H](F)C3)cc2)ncc1Cl |r|

BDBM479130

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)\C=C\CN3CC[C@H](F)C3)cn2)ncc1Cl |r|

BDBM478985

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(cc2)N(C)C(=O)C=C)ncc1Cl |r|

BDBM479086

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(cc2)N2C(=O)C=CC2=O)ncc1Cl |r,c:24|

BDBM479037

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(cn2)N(C)C(=O)C=C)ncc1Cl |r|

BDBM478963

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCCc3c2)C(=O)C=C)ncc1Cl |r|

BDBM478962

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCOc3c2)C(=O)C=C)ncc1Cl |r|

BDBM478987

COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCc3c2)C(=O)C=C)ncc1Cl |r|

BDBM479065

COc1nc(N[C@@H]2CCN(C2)C(=O)c2cccc(NC(=O)C=C)c2)ncc1Cl |r|

BDBM479088

COc1nc(N[C@@H]2CCN(C2)C(=O)c2cccc(c2)N2C(=O)C=CC2=O)ncc1Cl |r,c:24|

BDBM478968

COc1nc(N[C@@H]2CCN(C2)C(=O)c2cnc(NC(=O)C=C)s2)ncc1Cl |r|

BDBM478967

COc1nc(N[C@@H]2CCN(C2)C(=O)c2csc(NC(=O)C=C)n2)ncc1Cl |r|

BDBM479142

COc1nc(N[C@@H]2C[C@@H](C)N(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM479139

COc1nc(N[C@@H]2C[C@H](C)N(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM50583923

CP(C)(=O)c1cccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM50583925

CS(=O)(=O)c1c(ccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F)C#N |r|

BDBM50583921

CS(=O)(=O)c1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM50583918

CS(=O)(=O)c1cccc2c(c[nH]c12)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM478932

C[C@@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)N1CCN(CC1)C(=O)C=C |r|

BDBM478327

C[C@@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)C1CCC(CC1)NC(=O)C=C |r,wU:1.0,(-3.35,4.85,;-2.02,4.08,;-.69,4.85,;.65,4.08,;-.69,6.39,;.65,7.16,;2.05,6.53,;3.08,7.68,;2.31,9.01,;.81,8.69,;4.62,7.52,;5.86,6.61,;6.02,8.14,;-2.02,2.54,;-.69,1.77,;-.69,.23,;-2.02,-.54,;-3.35,.23,;-3.35,1.77,;-2.02,-2.08,;-3.35,-2.85,;-3.35,-4.39,;-2.02,-5.16,;-.69,-4.39,;-.69,-2.85,;-2.02,-6.7,;-3.35,-7.47,;-3.35,-9.01,;-4.69,-6.7,;-6.02,-7.47,)|

BDBM479068

C[C@@]1(CCN(C1)C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(Cl)cn1 |r|

BDBM478422

C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCCN(C1)C(=O)C=C |r,t:22|

BDBM478485

C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)C=C |r,t:22|

BDBM478330

C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)\C=C\CBr |r,t:22|

BDBM478350

C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)\C=C\CN(C)C |r,t:22|

BDBM478351

C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1=CCN(CC1)C(=O)\C=C\CN1CCOCC1 |r,t:22|

BDBM478328

C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)C1CCN(CC1)C(=O)C=C |r|

BDBM478758

C[C@H](C(=O)Nc1cc([nH]n1)C1CC1)c1ccc(cc1)N1CCN(CC1)C(=O)C=C |r|

BDBM478666

C[C@H](C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)C1CCC(CC1)NC(=O)C=C |r,wD:1.0,(-3.35,4.85,;-2.02,4.08,;-.69,4.85,;.65,4.08,;-.69,6.39,;.65,7.16,;2.05,6.53,;3.08,7.68,;2.31,9.01,;.81,8.69,;4.62,7.52,;5.86,6.61,;6.02,8.14,;-2.02,2.54,;-.69,1.77,;-.69,.23,;-2.02,-.54,;-3.35,.23,;-3.35,1.77,;-2.02,-2.08,;-3.35,-2.85,;-3.35,-4.39,;-2.02,-5.16,;-.69,-4.39,;-.69,-2.85,;-2.02,-6.7,;-3.35,-7.47,;-3.35,-9.01,;-4.69,-6.7,;-6.02,-7.47,)|

BDBM479069

C[C@]1(CCN(C1)C(=O)c1ccc(NC(=O)C=C)cc1)Nc1ncc(Cl)cn1 |r|

BDBM478952

C\C=C\C(=O)N1CCC=C(C1)c1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cn1 |c:8|

BDBM50573516

C\C=C\C(=O)Nc1cc(F)c(cc1C)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573515

C\C=C\C(=O)Nc1ccc(N2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c(F)c1 |r|

BDBM50573519

C\C=C\C(=O)Nc1ccc(O[C@@H]2CCC[C@H](C2)Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1 |r|

BDBM479091

C\C=C\C(=O)Nc1ccc(cc1)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM50573511

C\C=C\C(=O)Nc1ccc(cc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573514

C\C=C\C(=O)Nc1ccc(cc1C)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM50573513

C\C=C\C(=O)Nc1ccc(nc1)N1CCC[C@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12 |r|

BDBM478992

Cc1cc(NC(=O)C=C)ccc1C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM479015

Cc1cc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM478993

Cc1cc(cc(C)c1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM479036

Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Br)cn1 |r|

BDBM479040

Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)c(C)n1 |r|

BDBM478989

Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM479039

Cc1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(cn1)C(F)(F)F |r|

BDBM479035

Cc1ccc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|

BDBM479021

Cc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)cn1 |r|

BDBM479017

Cc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|

BDBM478982

Cc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1OC1CC1 |r|

BDBM479012

Cc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM50583924

Cc1noc(C)c1-c1ccc2c(c[nH]c2c1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM50583927

Cl.Cc1noc(C)c1-c1ccc2c(c[nH]c2n1)-c1nc(N[C@H]2CCCNC2)ncc1C(F)(F)F |r|

BDBM479024

Clc1ccc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|

BDBM50519158

Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1

BDBM478998

Clc1cnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)cn1 |r|

BDBM50573509

Clc1cnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cn2)nc1-c1c[nH]c2ccccc12 |r|

BDBM479085

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C#C)cc2)nc1 |r|

BDBM479101

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C3CO3)cc2)nc1 |r|

BDBM478966

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(Cl)c2)nc1 |r|

BDBM479063

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)c(OC3CCOC3)c2)nc1 |r|

BDBM479013

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)cn1 |r|

BDBM479047

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|

BDBM479049

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1N1CCC1 |r|

BDBM478981

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1OC1CC1 |r|

BDBM479062

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1OCCC#N |r|

BDBM479055

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1Oc1ccccc1 |r|

BDBM479093

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)CC#N)cc2)nc1 |r|

BDBM479044

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NS(=O)(=O)C=C)cc2)nc1 |r|

BDBM479100

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(cc2)N2C(=O)C=CC2=O)nc1 |r,c:24|

BDBM479096

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3CCN(C(=O)C=C)c3c2)nc1 |r|

BDBM479090

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3CCN(Cc3c2)C(=O)C=C)nc1 |r|

BDBM479092

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3CN(CCc3c2)C(=O)C=C)nc1 |r|

BDBM478994

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCOc3c2)C(=O)C=C)nc1 |r|

BDBM478990

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc3N(CCc3c2)C(=O)C=C)nc1 |r|

BDBM479076

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2cccc(c2)N2C(=O)C=CC2=O)nc1 |r,c:24|

BDBM479054

Clc1cnc(N[C@@H]2CCN(C2)C(=O)c2csc(NC(=O)C=C)n2)nc1 |r|

BDBM50526790

Clc1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|

BDBM479115

Clc1cnc(N[C@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|

BDBM50590463

Cn1c(cccc1=O)-c1ccc(cc1)N(C1CCC(CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |(5.34,-6.39,;6.68,-5.62,;6.68,-4.08,;8.01,-3.31,;9.34,-4.08,;9.34,-5.62,;8.01,-6.39,;8.01,-7.93,;5.34,-3.31,;5.34,-1.77,;4.01,-1,;2.68,-1.77,;2.68,-3.31,;4.02,-4.08,;1.35,-1,;.01,-1.77,;.01,-3.31,;-1.32,-4.08,;-2.65,-3.31,;-2.65,-1.77,;-1.32,-1,;-3.99,-4.08,;-5.32,-3.31,;-5.32,-1.76,;-6.66,-1,;-7.99,-1.77,;-7.99,-3.31,;-6.66,-4.08,;-9.32,-1,;-10.65,-.23,;1.35,.54,;.01,1.31,;2.68,1.31,;2.68,2.85,;4.01,3.62,;4.01,5.16,;5.35,5.93,;6.68,5.16,;6.68,3.63,;5.35,2.85,)|

BDBM50367679

Cn1c(cccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(12.97,-30.07,;12.2,-31.41,;12.97,-32.74,;12.2,-34.08,;10.66,-34.08,;9.88,-32.74,;10.66,-31.41,;9.88,-30.07,;14.51,-32.74,;15.28,-34.08,;16.83,-34.08,;17.59,-32.74,;16.83,-31.41,;15.28,-31.41,;19.14,-32.74,;19.91,-31.41,;19.14,-30.07,;19.91,-28.74,;21.45,-28.74,;22.22,-30.07,;21.45,-31.41,;22.22,-27.4,;23.76,-27.4,;24.53,-26.07,;26.08,-26.07,;26.85,-27.4,;26.08,-28.74,;24.53,-28.74,;28.39,-27.4,;29.93,-27.4,;19.91,-34.08,;19.14,-35.41,;21.45,-34.08,;22.22,-35.41,;23.76,-35.41,;24.53,-34.08,;26.08,-34.08,;26.85,-35.41,;26.08,-36.75,;24.53,-36.75,)|

BDBM479006

Cn1cc(Oc2ccnc(N[C@@H]3CCN(C3)C(=O)c3ccc(NC(=O)C=C)cc3)n2)cn1 |r|

BDBM50590457

Cn1cc(ccc1=O)-c1ccc(cc1)N(C1CCC(CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |(10.66,-3.08,;9.33,-3.85,;8,-3.08,;6.66,-3.85,;6.66,-5.39,;8,-6.16,;9.33,-5.39,;10.66,-6.16,;5.33,-3.08,;5.33,-1.54,;4,-.77,;2.67,-1.54,;2.67,-3.08,;4,-3.85,;1.33,-.77,;0,-1.54,;0,-3.08,;-1.33,-3.85,;-2.67,-3.08,;-2.67,-1.54,;-1.33,-.77,;-4,-3.85,;-5.33,-3.08,;-5.33,-1.53,;-6.67,-.77,;-8,-1.54,;-8,-3.08,;-6.67,-3.85,;-9.33,-.77,;-10.66,0,;1.33,.77,;0,1.54,;2.67,1.54,;2.67,3.08,;4,3.85,;4,5.39,;5.33,6.16,;6.67,5.39,;6.67,3.86,;5.34,3.08,)|

BDBM50367676

Cn1cc(ccc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(17.35,-24.38,;18.11,-25.71,;19.66,-25.71,;20.43,-27.05,;19.66,-28.38,;18.11,-28.38,;17.35,-27.05,;15.8,-27.05,;21.97,-27.05,;22.74,-28.38,;24.28,-28.38,;25.05,-27.05,;24.28,-25.71,;22.74,-25.71,;26.6,-27.05,;27.37,-25.71,;26.6,-24.38,;27.37,-23.04,;28.91,-23.04,;29.68,-24.38,;28.91,-25.71,;29.68,-21.71,;31.22,-21.71,;31.99,-20.37,;33.54,-20.37,;34.3,-21.71,;33.54,-23.04,;31.99,-23.04,;35.85,-21.71,;37.39,-21.71,;27.37,-28.38,;26.6,-29.71,;28.91,-28.38,;29.68,-29.71,;31.22,-29.71,;31.99,-28.38,;33.54,-28.38,;34.3,-29.71,;33.54,-31.05,;31.99,-31.05,)|

BDBM478972

Cn1cc(cn1)-c1cc(ccc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM50367767

Cn1cc(cn1)-c1ccc(CN2CCC(CC2)Nc2ccc(cn2)C#N)cc1

BDBM50367956

Cn1cc(cn1)-c1ccc(N[C@H]2CC[C@@H](CC2)Nc2ccc(cn2)C#N)cc1 |r,wU:11.11,wD:14.18,(31.03,-25.96,;29.49,-26.06,;28.51,-24.88,;27.08,-25.45,;27.17,-26.98,;28.67,-27.36,;25.77,-24.62,;25.84,-23.08,;24.54,-22.26,;23.17,-22.98,;21.86,-22.15,;20.54,-22.94,;20.56,-24.48,;19.23,-25.27,;17.89,-24.52,;17.87,-22.98,;19.19,-22.19,;16.57,-25.3,;15.22,-24.55,;13.9,-25.34,;12.55,-24.58,;12.53,-23.04,;13.86,-22.26,;15.2,-23.01,;11.19,-22.29,;9.84,-21.53,;23.11,-24.52,;24.41,-25.34,)|

BDBM50367913

Cn1cc(cn1)-c1ccc(cc1)C(=O)N1CCC(CC1)Nc1ccc(cn1)C#N

BDBM50590459

Cn1cc(cn1)-c1ccc(cc1)N(C1CCC(CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |(10.65,-4.6,;9.11,-4.6,;8.08,-3.45,;6.68,-4.08,;6.84,-5.61,;8.34,-5.93,;5.34,-3.31,;5.34,-1.77,;4.01,-1,;2.68,-1.77,;2.68,-3.31,;4.02,-4.08,;1.35,-1,;.01,-1.77,;.01,-3.31,;-1.32,-4.08,;-2.65,-3.31,;-2.65,-1.77,;-1.32,-1,;-3.99,-4.08,;-5.32,-3.31,;-5.32,-1.76,;-6.66,-1,;-7.99,-1.77,;-7.99,-3.31,;-6.66,-4.08,;-9.32,-1,;-10.65,-.23,;1.35,.54,;.01,1.31,;2.68,1.31,;2.68,2.85,;4.01,3.62,;4.01,5.16,;5.35,5.93,;6.68,5.16,;6.68,3.63,;5.35,2.85,)|

BDBM50367849

Cn1cc(cn1)-c1ccc(cc1)N([C@@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wD:16.21,13.14,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)|

BDBM50367840

Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)CCc1ccccc1 |r,wU:13.14,wD:16.21,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)|

BDBM50367684

Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCC1CCCCC1 |r,wU:13.14,wD:16.21,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)|

BDBM50367845

Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:13.14,wD:16.21,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)|

BDBM50367683

Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)OCc1ccccc1 |r,wU:13.14,wD:16.21,(33.38,-26.71,;31.84,-26.8,;30.86,-25.61,;29.43,-26.18,;29.52,-27.71,;31.01,-28.09,;28.14,-25.34,;28.21,-23.81,;26.91,-22.98,;25.54,-23.69,;25.48,-25.23,;26.77,-26.05,;24.24,-22.86,;22.92,-23.64,;22.93,-25.18,;21.6,-25.96,;20.26,-25.2,;20.25,-23.66,;21.58,-22.88,;18.94,-25.98,;17.6,-25.22,;16.28,-26,;14.94,-25.24,;14.93,-23.7,;16.25,-22.92,;17.59,-23.68,;13.59,-22.94,;12.25,-22.18,;24.31,-21.33,;25.64,-20.55,;22.97,-20.56,;21.65,-21.34,;20.3,-20.58,;20.29,-19.03,;18.94,-18.27,;17.61,-19.06,;17.62,-20.61,;18.97,-21.37,)|

BDBM50367955

Cn1cc(cn1)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)S(C)(=O)=O |r,wU:13.14,wD:16.21,(31.03,-25.96,;29.49,-26.06,;28.51,-24.88,;27.08,-25.45,;27.17,-26.98,;28.67,-27.36,;25.77,-24.62,;25.84,-23.08,;24.54,-22.26,;23.17,-22.98,;23.11,-24.52,;24.41,-25.34,;21.86,-22.15,;20.54,-22.94,;20.56,-24.48,;19.23,-25.27,;17.89,-24.52,;17.87,-22.98,;19.19,-22.19,;16.57,-25.3,;15.22,-24.55,;13.9,-25.34,;12.55,-24.58,;12.53,-23.04,;13.86,-22.26,;15.2,-23.01,;11.19,-22.29,;9.84,-21.53,;21.93,-20.61,;23.25,-19.82,;20.58,-19.86,;21.53,-19.11,)|

BDBM50367873

Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1cc(ccn1)C#N

BDBM50367743

Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cc1)C#N

BDBM50367737

Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C#N

BDBM50367855

Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccc(cn1)C(F)(F)F

BDBM50367738

Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1cccc(n1)C#N

BDBM50367874

Cn1cc(cn1)-c1ccc(cc1)S(=O)(=O)N1CCC(CC1)Nc1ccccn1

BDBM478999

Cn1cc(cn1)-c1ccnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)n1 |r|

BDBM50584000

Cn1cc(cn1)-n1cnc2c(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)nc(nc12)N1CCOCC1

BDBM50590464

Cn1ccc(cc1=O)-c1ccc(cc1)N(C1CCC(CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |(10.68,-6.39,;9.34,-5.62,;9.34,-4.08,;8.01,-3.31,;6.68,-4.08,;6.68,-5.62,;8.01,-6.39,;8.01,-7.93,;5.34,-3.31,;5.34,-1.77,;4.01,-1,;2.68,-1.77,;2.68,-3.31,;4.02,-4.08,;1.35,-1,;.01,-1.77,;.01,-3.31,;-1.32,-4.08,;-2.65,-3.31,;-2.65,-1.77,;-1.32,-1,;-3.99,-4.08,;-5.32,-3.31,;-5.32,-1.76,;-6.66,-1,;-7.99,-1.77,;-7.99,-3.31,;-6.66,-4.08,;-9.32,-1,;-10.65,-.23,;1.35,.54,;.01,1.31,;2.68,1.31,;2.68,2.85,;4.01,3.62,;4.01,5.16,;5.35,5.93,;6.68,5.16,;6.68,3.63,;5.35,2.85,)|

BDBM50367957

Cn1ccc(cc1=O)-c1ccc(cc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)C(=O)NCc1ccccc1 |r,wU:15.16,wD:18.23,(13.41,-28.38,;14.96,-28.38,;15.73,-29.72,;17.27,-29.72,;18.04,-28.38,;17.27,-27.05,;15.73,-27.05,;14.96,-25.71,;19.58,-28.38,;20.35,-29.72,;21.9,-29.72,;22.67,-28.38,;21.9,-27.05,;20.35,-27.05,;24.21,-28.38,;24.98,-27.05,;24.21,-25.71,;24.98,-24.38,;26.52,-24.38,;27.29,-25.71,;26.52,-27.05,;27.29,-23.04,;28.84,-23.04,;29.6,-21.71,;31.15,-21.71,;31.92,-23.04,;31.15,-24.38,;29.6,-24.38,;33.46,-23.04,;35.01,-23.04,;24.98,-29.72,;24.21,-31.05,;26.52,-29.72,;27.29,-31.05,;28.84,-31.05,;29.6,-29.72,;31.15,-29.72,;31.92,-31.05,;31.15,-32.38,;29.6,-32.38,)|

BDBM50590462

Cn1cccc(-c2ccc(cc2)N(C2CCC(CC2)Nc2ccc(cn2)C#N)C(=O)NCc2ccccc2)c1=O |(8.01,-7.93,;8.01,-6.39,;9.34,-5.62,;9.34,-4.08,;8.01,-3.31,;6.68,-4.08,;5.34,-3.31,;5.34,-1.77,;4.01,-1,;2.68,-1.77,;2.68,-3.31,;4.02,-4.08,;1.35,-1,;.01,-1.77,;.01,-3.31,;-1.32,-4.08,;-2.65,-3.31,;-2.65,-1.77,;-1.32,-1,;-3.99,-4.08,;-5.32,-3.31,;-5.32,-1.76,;-6.66,-1,;-7.99,-1.77,;-7.99,-3.31,;-6.66,-4.08,;-9.32,-1,;-10.65,-.23,;1.35,.54,;.01,1.31,;2.68,1.31,;2.68,2.85,;4.01,3.62,;4.01,5.16,;5.35,5.93,;6.68,5.16,;6.68,3.63,;5.35,2.85,;6.68,-5.62,;5.34,-6.39,)|

BDBM50367854

Cn1cccc(-c2ccc(cc2)N([C@H]2CC[C@@H](CC2)Nc2ccc(cn2)C#N)C(=O)NCc2ccccc2)c1=O |r,wU:13.13,wD:16.20,(21.82,-25.31,;22.6,-26.64,;21.82,-27.98,;22.6,-29.31,;24.13,-29.31,;24.91,-27.98,;26.45,-27.98,;27.22,-29.31,;28.76,-29.31,;29.53,-27.98,;28.76,-26.64,;27.22,-26.64,;31.08,-27.98,;31.85,-26.64,;31.08,-25.31,;31.85,-23.97,;33.39,-23.97,;34.16,-25.31,;33.39,-26.64,;34.16,-22.64,;35.7,-22.64,;36.47,-21.3,;38.02,-21.3,;38.79,-22.64,;38.02,-23.97,;36.47,-23.97,;40.33,-22.64,;41.87,-22.64,;31.85,-29.31,;31.08,-30.65,;33.39,-29.31,;34.16,-30.65,;35.7,-30.65,;36.47,-29.31,;38.02,-29.31,;38.79,-30.65,;38.02,-31.98,;36.47,-31.98,;24.13,-26.64,;24.91,-25.31,)|

BDBM479070

Cn1nc(cc1NC(=O)C=C)C(=O)N1CC[C@H](C1)Nc1ncc(Cl)cn1 |r|

BDBM478995

Cn1nccc1-c1ccnc(N[C@@H]2CCCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)n1 |r|

BDBM478984

FC(F)(F)COc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM479020

FC(F)(F)c1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)cn1 |r|

BDBM479143

FC(F)(F)c1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1 |r|

BDBM479060

FC(F)(F)c1cnc(N[C@@H]2CCN(C2)C(=O)c2csc(NC(=O)C=C)n2)nc1 |r|

BDBM50583919

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2cc(ccc12)C#N |r|

BDBM50583916

FC(F)(F)c1cnc(N[C@H]2CCCNC2)nc1-c1c[nH]c2ccccc12 |r|

BDBM479052

FC(F)(F)c1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM479121

FC1(F)CCN(CCOc2cc(ccc2NC(=O)C=C)C(=O)N2CC[C@H](C2)Nc2ncc(Br)cn2)CC1 |r|

BDBM50454220

Fc1cccc(c1)-n1cnc2c(NCc3nc4c(F)c(F)ccc4[nH]3)nc(nc12)N1CCOCC1

BDBM478983

Fc1cnc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)nc1OC1CC1 |r|

BDBM50563486

NC(=O)c1ccc(cn1)-c1ccc(F)c(C(=O)Nc2c[nH]nc2C(=O)Nc2ccc(F)cc2)c1F

BDBM50597426

NCCSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C3CCC3)c2n1

BDBM50597428

NCCSc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C3CCCC3)c2n1

BDBM50597425

NCCSc1nc(NCc2ccc(cc2)-n2cccn2)c2[nH]nc(C3CCC3)c2n1

BDBM479051

Nc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1C(F)(F)F |r|

BDBM479050

Nc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM478959

O=C(Cc1ccc(nc1)C1=CCCN(C1)C#N)Nc1cc([nH]n1)C1CC1 |t:10|

BDBM478956

O=C(Cc1ccc(nc1)C1=CCCN(C1)C(=O)C#C)Nc1cc([nH]n1)C1CC1 |t:10|

BDBM478958

O=C(Cc1ccc(nc1)C1=CCN(C1)C(=O)C#C)Nc1cc([nH]n1)C1CC1 |t:10|

BDBM478960

O=C(Cc1ccc(nc1)C1=CCN(CC1)C#N)Nc1cc([nH]n1)C1CC1 |t:10|

BDBM50590461

O=C(NCc1ccccc1)N(C1CCC(CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cccnc1 |(.01,1.31,;1.35,.54,;2.68,1.31,;2.68,2.85,;4.01,3.62,;4.01,5.16,;5.35,5.93,;6.68,5.16,;6.68,3.63,;5.35,2.85,;1.35,-1,;.01,-1.77,;.01,-3.31,;-1.32,-4.08,;-2.65,-3.31,;-2.65,-1.77,;-1.32,-1,;-3.99,-4.08,;-5.32,-3.31,;-5.32,-1.76,;-6.66,-1,;-7.99,-1.77,;-7.99,-3.31,;-6.66,-4.08,;-9.32,-1,;-10.65,-.23,;2.68,-1.77,;4.01,-1,;5.34,-1.77,;5.34,-3.31,;4.02,-4.08,;2.68,-3.31,;6.68,-4.08,;8.01,-3.31,;9.34,-4.08,;9.34,-5.62,;8.01,-6.39,;6.68,-5.62,)|

BDBM50590460

O=C(NCc1ccccc1)N(C1CCC(CC1)Nc1ccc(cn1)C#N)c1ccccc1 |(.01,1.31,;1.35,.54,;2.68,1.31,;2.68,2.85,;4.01,3.62,;4.01,5.16,;5.34,5.93,;6.68,5.16,;6.68,3.63,;5.35,2.85,;1.35,-1,;.01,-1.77,;.01,-3.31,;-1.32,-4.08,;-2.65,-3.31,;-2.65,-1.77,;-1.32,-1,;-3.99,-4.08,;-5.32,-3.31,;-5.32,-1.76,;-6.66,-1,;-7.98,-1.77,;-7.98,-3.31,;-6.66,-4.08,;-9.32,-1,;-10.65,-.23,;2.68,-1.77,;4.01,-1,;5.34,-1.77,;5.34,-3.31,;4.02,-4.08,;2.68,-3.31,)|

BDBM50367685

O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)-c1cccnc1 |r,wU:11.11,wD:14.18,(23.87,-32.62,;24.64,-31.28,;26.18,-31.28,;26.95,-32.62,;28.49,-32.62,;29.26,-31.28,;30.81,-31.28,;31.58,-32.62,;30.81,-33.95,;29.26,-33.95,;23.87,-29.95,;24.64,-28.61,;23.87,-27.28,;24.64,-25.95,;26.18,-25.95,;26.95,-27.28,;26.18,-28.61,;26.95,-24.61,;28.49,-24.61,;29.26,-23.28,;30.81,-23.28,;31.58,-24.61,;30.81,-25.95,;29.26,-25.95,;33.12,-24.61,;34.66,-24.61,;22.32,-29.95,;21.56,-31.28,;20.01,-31.28,;19.24,-29.95,;20.01,-28.61,;21.56,-28.61,;17.7,-29.95,;16.93,-31.28,;15.39,-31.28,;14.61,-29.95,;15.39,-28.61,;16.93,-28.61,)|

BDBM50594507

O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccc(cc1)N1CCNCC1 |r,wU:11.11,wD:14.18,(.41,3.92,;-.66,3.3,;-1.99,4.08,;-1.99,5.62,;-3.32,6.39,;-3.32,7.93,;-4.65,8.7,;-5.99,7.93,;-5.99,6.39,;-4.65,5.62,;-.66,1.76,;-2,1,;-2,-.54,;-3.33,-1.31,;-4.67,-.53,;-4.67,1,;-3.33,1.77,;-6,-1.3,;-6,-2.84,;-4.68,-3.62,;-4.68,-5.16,;-6,-5.92,;-7.34,-5.16,;-7.34,-3.61,;-6,-7.46,;-6,-8.7,;.67,.99,;.67,-.55,;2.01,-1.31,;3.34,-.55,;3.34,.99,;2.01,1.77,;4.67,-1.32,;4.67,-2.85,;6.01,-3.63,;7.34,-2.85,;7.34,-1.32,;6,-.55,)|

BDBM50367707

O=C(NCc1ccccc1)N([C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C#N)c1ccccc1 |r,wU:11.11,wD:14.18,(25.33,-38.6,;25.33,-37.05,;26.66,-36.28,;27.99,-37.05,;29.32,-36.28,;29.32,-34.75,;30.66,-33.97,;31.99,-34.75,;31.99,-36.28,;30.66,-37.05,;23.99,-36.28,;22.66,-37.05,;22.66,-38.6,;21.33,-39.36,;20,-38.6,;20,-37.05,;21.33,-36.28,;18.67,-39.36,;17.34,-38.6,;16,-39.36,;14.67,-38.6,;14.67,-37.05,;16,-36.28,;17.34,-37.05,;13.34,-36.28,;12,-35.51,;23.99,-34.75,;22.66,-33.97,;22.66,-32.44,;23.99,-31.67,;25.33,-32.44,;25.33,-33.97,)|

BDBM479097

OCCOc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|

BDBM50609501

O[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|

BDBM479057

Oc1nc(N[C@@H]2CCN(C2)C(=O)c2ccc(NC(=O)C=C)cc2)ncc1Cl |r|