SMILES for Muscarinic acetylcholine receptor M1

CC(=O)N[C@H]1CO[C@H](COS(O)(=O)=O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H]([C@@H](O)[C@H](O)[C@H]4OS(O)(=O)=O)C(O)=O)[C@H](OS(O)(=O)=O)[C@H]3NS(O)(=O)=O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@@H]1O

BDBM50241132

C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:9:8:4.5.6:1,9:10:4.5.6:1,THB:11:5:1:8.10|

BDBM81960

OC(CCCN1CCCCC1)(C1CCCCC1)c1ccccc1

BDBM81959

C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1

BDBM81961

C[N+]1([SiH3])CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1

BDBM50035398

CN1CCC[C@H]1c1cc(C)no1 |r|

BDBM82273

COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1

BDBM50005685

CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccccc1

BDBM82374

CN(C)CCSC(=O)N1c2ccccc2C(C)(C)c2ccccc12

BDBM82379

CN1CCN(C[C@@H]2[C@@H](Sc3ccccc3NC2=O)c2ccccc2)CC1

BDBM82375

CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1

BDBM82373

CCN(CC)CC#CCC(=O)C(c1ccccc1)c1ccccc1

BDBM50010101

CCN(CC)CCOC(=O)C1(CCCCC1)C1CCCCC1

BDBM82377

CC1CC(CC(C)(C)N1C)OC(=O)C(O)c1ccccc1

BDBM82370

CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](c3ccccc3)O

BDBM82372

CC(C)[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3)C

BDBM50062614

CN(C)CCOC(c1ccccc1)c1ccccc1C

BDBM50151858

CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c1ccccc1

BDBM82378

CCN1CCCC(C1)OC(=O)C(c1ccccc1)c1ccccc1

BDBM82380

CCCN(CCCl)CCOC(=O)C(O)(c1ccccc1)c1ccccc1

BDBM82376

CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc3ccccc23)CC1

BDBM82371

CCN(Cc1ccncc1)C(=O)C(CO)c1ccccc1

BDBM82423

CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50056101

Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)c3ccccc3C)C2=O)c1 |t:11|

BDBM29525

Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12

BDBM50020712

[#6]-[#7](-[#6])-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12

BDBM50048392

CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1

BDBM50017721

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16|

BDBM35229

CNCCCN1c2ccccc2CCc3c1cccc3

BDBM50028066

N[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12

BDBM82548

CN(C)CCC=C1c2ccccc2CSc2ccccc12 |w:5.4|

BDBM50079527

CN(C)CC/C=C\1/c2ccccc2COc3c1cccc3

BDBM82438

CCc1nn(CCCN2CCN(CC2)c2cccc(Cl)c2)c(=O)n1CC

BDBM50014247

COc1ccc(OC[C@H]2CN(C)CC[C@@H]2c2ccccc2)cc1

BDBM30130

CNCC[C@H](c1ccccc1)Oc2ccc(cc2)C(F)(F)F

BDBM50010859

CN(C)CCCN1c2ccccc2CCc3c1cccc3

BDBM82437

CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1

BDBM28347

C(C1C[NH+]2CCC1CC2)N1c2ccccc2Sc2ccccc12 |THB:0:1:5.4:7.8,(14.51,-5.48,;15.79,-4.74,;17.21,-5.13,;17.6,-2.22,;20.16,-.74,;19.42,.54,;16.17,-1.84,;14.72,-.36,;16,.37,;14.51,-6.96,;15.79,-7.7,;17.11,-6.91,;18.45,-7.67,;18.45,-9.21,;17.11,-9.97,;15.79,-9.18,;14.51,-9.92,;13.22,-9.18,;11.9,-9.97,;10.56,-9.21,;10.56,-7.67,;11.9,-6.91,;13.22,-7.7,)|

BDBM50254790

c1ccc(cc1)[C@H](CCN)Oc2ccc(cc2)C(F)(F)F

BDBM112777

[#6]-[#7]-[#6]-[#6]\[#6]=[#6]-1/c2ccccc2-[#6]-[#6]-c2ccccc-12

BDBM22416

c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F

BDBM82217

CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12

BDBM50073444

Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1

BDBM82071

COc1ccc(cc1)C(CN(C)C)C1(O)CCCCC1

BDBM82559

CN(CCCCCCNCCCCCCCCNCCCCCCN(CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12)CN1c2ccccc2C(=O)Nc2cccnc12

BDBM84950

CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)cc2OC)CC1

BDBM84951

COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNS(C)(=O)=O)CC1

BDBM22913

NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|

BDBM22914

S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1

BDBM21398

c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F

BDBM82479

CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|

BDBM50095890

OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12 |t:13|

BDBM50049750

C(Oc1cccnc1)[C@@H]1CCN1 |r|

BDBM85098

COc1cc(OC)c(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O

BDBM21280

Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1 |r,TLB:21:22:28:26.25|

BDBM50003359

CCCCCCOc1c(nsn1)C2=CCCN(C2)C

BDBM85672

O=C(NCCCCN1C[C@@H]2COc3ccc(cc3[C@H]2C1)C#N)c1ccc(cc1)-c1ccccc1 |r|

BDBM50094703

Nc1ncnc2nc(cc(-c3cccc(Br)c3)c12)-c1ccc(nc1)N1CCOCC1

BDBM85787

NC1=COC=C(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)N1 |r,t:1,4|

BDBM50109647

c1ccc(cc1)C(c2ccccc2)([C@@H]3CCN(C3)CCc4ccc5c(c4)CCO5)C(=O)N

BDBM50072228

C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccccc1 |(14.79,-5.45,;13.26,-5.32,;12.37,-6.6,;12.89,-8.07,;11.66,-9,;10.38,-8.12,;10.82,-6.64,;9.88,-5.4,;8.44,-5.96,;7.22,-5.01,;8.49,-3.99,;8.96,-4.86,;10.1,-3.86,;8.91,-2.91,;7.44,-3.72,;15.47,-6.86,;16.24,-8.18,;16.99,-9.52,;18.54,-9.52,;19.29,-10.85,;18.51,-12.2,;16.98,-12.2,;16.22,-10.85,)|

BDBM85817

C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1ccc(cc1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.45,.06,;3.22,1.4,;4.76,1.4,;5.39,2.81,;6.92,2.64,;7.24,1.14,;5.91,.37,;5.51,-1.12,;6.28,-2.45,;5.51,-3.79,;3.97,-3.79,;3.2,-2.45,;3.97,-1.12,;5.3,-1.89,;4.21,-2.98,;.91,.06,;-.63,.06,;-2.17,.06,;-2.94,-1.27,;-4.48,-1.27,;-5.25,.06,;-4.48,1.4,;-2.94,1.4,;-6.79,.06,;-8.33,.07,;-9.87,.06,;-10.64,1.4,;-12.18,1.4,;-12.8,2.81,;-14.33,2.64,;-14.66,1.14,;-13.32,.37,;-12.92,-1.12,;-13.69,-2.45,;-12.92,-3.79,;-11.38,-3.79,;-10.61,-2.45,;-11.38,-1.12,;-12.72,-1.89,;-11.63,-2.98,)|

BDBM85816

C(Oc1nsnc1C1CN2CCC1CC2)C#Cc1cccc(c1)C#CCOc1nsnc1C1CN2CCC1CC2 |(2.66,-.26,;4,.51,;5.33,-.26,;6.58,.64,;7.82,-.26,;7.35,-1.73,;5.81,-1.73,;4.72,-2.82,;4.72,-4.36,;3.38,-5.13,;2.05,-4.36,;2.05,-2.82,;3.38,-2.05,;4.15,-3.38,;2.67,-3.78,;1.33,.51,;-0,1.28,;-1.34,2.05,;-1.34,3.59,;-2.67,4.36,;-4,3.59,;-4,2.05,;-2.67,1.28,;-5.34,1.28,;-6.67,.51,;-8.01,-.26,;-9.34,.51,;-10.67,-.26,;-11.92,.64,;-13.16,-.26,;-12.69,-1.73,;-11.15,-1.73,;-10.06,-2.82,;-10.06,-4.36,;-8.73,-5.13,;-7.39,-4.36,;-7.39,-2.82,;-8.73,-2.05,;-9.5,-3.38,;-8.01,-3.78,)|

BDBM85818

CC(CF)NCC(O)COc1cccc2[nH]c3ccccc3c12

BDBM84745

CNCC[C@@H](c1cccs1)Oc2cccc3c2cccc3

BDBM50034043

COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O

BDBM50129952

Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|

BDBM50242259

[#6]-[#6](-[#6])-[#6](=O)[C@]12[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6])-[#6](=O)[C@@]([#6]\[#6]=[#6](\[#6])-[#6])([#6]-[#6@H](-[#6]\[#6]=[#6](/[#6])-[#6])[C@@]1([#6])[#6]-[#6]\[#6]=[#6](/[#6])-[#6])[#6]2=O |r,THB:38:37:6.8.14:22.23.29|

BDBM50333880

Cc1cc(O)c2c3c1c1c(CO)cc(O)c4c1c1c5c(c(O)cc(O)c5c4=O)c4c(O)cc(O)c(c4c31)c2=O

BDBM86036

OCC1OC(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C(O)C1O

BDBM84979

OCC1OC(O)C(Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)C(O)C1O

BDBM7460

c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O

BDBM84978

C[C@@H]1O[C@@H](Oc2c(O)c3c(cc(O)cc3=O)oc2-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

BDBM50217942

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O

BDBM50159165

COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)c1ccoc1 |r|

BDBM25870

CN(C)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1

BDBM81875

CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1

BDBM50028091

COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F

BDBM86046

CN(C)CCC[C@@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r|

BDBM86049

CC(CCCC(O)C[N+](C)(C)C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

BDBM86048

CC(CCC(=O)NCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

BDBM86047

CC(CCC(=O)NCCS(O)(=O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C

BDBM50022784

CNCCC(Oc1ccccc1C)c1ccccc1

BDBM86057

CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N

BDBM86199

NC(CSSCC(N)C(O)=O)C(O)=O

BDBM86196

N[C@H](CCS(O)(=O)=O)C(O)=O |r|

BDBM86197

N[C@H](CCS(O)=O)C(O)=O |r|

BDBM86205

N[C@@H]1CCSC1=O |r|

BDBM86195

CSCC[C@H](C(=O)O)N

BDBM50164447

C(CS(=O)(=O)O)[C@@H](C(=O)O)N

BDBM86202

C(CS)[C@@H](C(=O)O)N

BDBM85473

C([C@H](C(=O)O)N)S(=O)(=O)O

BDBM86203

C([C@@H](C(=O)O)N)S

BDBM86194

NC(CS(O)=O)C(O)=O

BDBM50220147

C(CS(=O)(=O)O)[C@@H](C(=O)O)N

BDBM86201

N[C@@H](CCS(O)=O)C(O)=O |r|

BDBM86198

N[C@H]1CCSC1=O |r|

BDBM50133817

CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1

BDBM50010588

C[C@@H](Cc1ccc2c(c1)OCO2)NC

BDBM50130293

c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCOc3ccc4c(c3)NC(=O)CC4

BDBM86292

Cc1nccn1CC#CCN1OCCC1=O

BDBM86294

Cc1n(CC#CCOC2=NOCC2)cc[n+]1C |t:8|

BDBM86290

Cc1nccn1CC#CCOC1=NOCC1 |t:12|

BDBM86291

Cc1nccn1CC#CCOc1ccon1

BDBM86293

Cc1n(CC#CCOc2ccon2)cc[n+]1-c1ccc(Br)cc1

BDBM50048803

c1ccc2c(c1)c(ns2)N3CCN(CC3)CCc4cc5c(cc4Cl)NC(=O)C5

BDBM50171290

CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1

BDBM86692

CC(C)C(=O)N(C1CC(C)N(C(=O)c2ccccc2)c2ccccc12)c1ccccc1

BDBM86693

CCC(=O)N1C(C)CC(N(C(C)=O)c2ccccc2)c2ccccc12

BDBM86691

CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1

BDBM50232153

COc1cccc(C(O)C2CCN(CCc3ccc(F)cc3)CC2)c1OC

BDBM81780

CN(C)CCON=C(C=Cc1ccc(O)cc1)c1ccccc1F |w:6.5,8.7|

BDBM26739

NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1

BDBM86748

CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1

BDBM81790

CCN1CCCC1CNC(=O)c1cc(c(N)cc1OC)S(=O)(=O)CC

BDBM234387

CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2ccccc12

BDBM234388

CN(C)CCOc1c2-c3ccccc3S(=O)(=O)n2c2cc(Cl)ccc12

BDBM502689

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N

BDBM502693

C[C@@H]1CN(CCN1C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N

BDBM502697

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)nc1

BDBM502698

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(F)(F)F

BDBM502699

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cc1F)C(F)(F)F

BDBM502701

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)cc(c1)C#N

BDBM502702

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1

BDBM502704

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cn1

BDBM502705

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cn1)C(F)(F)F

BDBM502707

C[C@@H]1CN(CCN1C(=O)NC[C@H](O)C1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1

BDBM502708

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1CO)c1cc(F)c(F)c(F)c1

BDBM502709

C[C@@H]1CN(CCN1C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N

BDBM502710

OCC1CN(Cc2ccccc2)CCC1CCNC(=O)N1CCN(CC1)c1cc(F)c(F)c(F)c1

BDBM502712

C[C@@H]1CN(CCN1C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N

BDBM502713

C[C@@H]1CN(CCN1C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1

BDBM502714

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cn1)C#N

BDBM502715

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N

BDBM502718

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(F)(F)F

BDBM502719

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc2OC(F)(F)Oc2c1

BDBM502722

C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1

BDBM502723

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nc(Cl)cc(n1)C#N

BDBM502724

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(ccn1)C(F)(F)F

BDBM502725

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C)c(F)c1

BDBM502726

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nccc(n1)C#N

BDBM502727

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(F)c1

BDBM502728

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(OC(F)(F)F)c1

BDBM502729

C[C@@H]1CN(CCN1c1cc(F)c(F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM502731

C[C@@H]1CN(CCN1c1ccc(OC(F)(F)F)cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM502733

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(C)n1

BDBM502734

C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N

BDBM502735

C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N

BDBM502736

C[C@@H]1CN(CCN1c1ccc(OC(F)(F)F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM502763

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(Cl)c1

BDBM502764

C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(F)c1

BDBM502765

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(C#N)c(N)n1

BDBM502768

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(OC(F)(F)F)c(F)c1

BDBM502773

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(c1)C#N

BDBM502776

C[C@H]1CN(CCN1c1cc(F)c(F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM502781

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)cc(F)c1

BDBM502782

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1F)C(F)(F)F

BDBM502787

FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM502788

FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM502790

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(nc1)C(F)(F)F

BDBM502791

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(nc1)C#N

BDBM502792

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(C#N)c(N)n1

BDBM502796

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nc(Cl)cc(n1)C#N

BDBM502799

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1nccc(n1)C(F)(F)F

BDBM502774

COc1nc(ncc1C#N)N1C[C@H](C)N([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM502817

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)cn1

BDBM502819

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C#N

BDBM502822

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)cn1

BDBM502823

CNc1nc(ncc1C#N)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM502831

FC(F)(F)c1cnc(nc1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM502834

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(F)(F)F

BDBM502835

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(c(N)n1)C(F)(F)F

BDBM502836

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(c(N)n1)C(F)(F)F

BDBM502837

Nc1nc(ncc1C(F)(F)F)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM502838

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Br)cn1

BDBM502839

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)c(N)n1

BDBM502844

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1cc(F)c(F)c(F)c1

BDBM502848

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc3CCOc23)CC1)c1cc(F)c(F)c(F)c1

BDBM502849

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(F)cc2)CC1)c1cc(F)c(F)c(F)c1

BDBM502871

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccs2)CC1)c1cc(F)c(F)c(F)c1

BDBM502872

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(O)cc2)CC1)c1cc(F)c(F)c(F)c1

BDBM502884

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2C)CC1)c1ncc(cn1)C(F)(F)F

BDBM502885

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc(F)c2)CC1)c1ncc(cn1)C(F)(F)F

BDBM502886

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ncc(cn1)C(F)(F)F

BDBM502889

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2cccc(c2)C#N)CC1)c1ncc(cn1)C(F)(F)F

BDBM502891

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(O)cc2)CC1)c1ncc(cn1)C#N

BDBM502896

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2cccc(F)c2)CC1)c1ncc(cn1)C#N

BDBM502897

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1ncc(cn1)C#N

BDBM502898

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc(F)cc2)CC1)c1ncc(cn1)C#N

BDBM502900

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)c1cnc(nc1)C(F)(F)F

BDBM502923

C[C@@H]1CN(CCN1C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(F)c1

BDBM502933

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C(F)F

BDBM502934

C[C@@H]1CN(CCN1C(=O)NC[C@H](O)C1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)c(c1)C#N

BDBM502937

C[C@@H]1CN(CCN1C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N

BDBM502938

C[C@@H]1CN(CCN1C(=O)NC[C@H](O)C1CCN(Cc2ccccc2)CC1)c1ccc(F)c(c1)C#N

BDBM502941

FC(F)(F)c1ccc(cc1)C1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM502989

O=C(NCCC1CCN(Cc2ccccc2)CC1)N1C2CCC1CN(C2)c1ncc(cn1)C#N |THB:26:24:18:20.21|

BDBM502990

FC(F)(F)Oc1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM502994

C[C@@H]1CN(CCN1C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1)c1cc(F)cc(c1)C#N

BDBM502995

Fc1cc(ccc1C(=O)NCCC1CCN(Cc2ccccc2)CC1)-c1ccc(OC(F)(F)F)cc1

BDBM502996

FC(F)(F)Oc1ccc(cc1)-c1ccc(cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM502997

OC(CNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccccc2)CC1

BDBM502998

OC1(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)c(F)c2)CCN(Cc2ccccc2)CC1

BDBM502999

C[C@@H]1CN(CCN1C(=O)NCC[C@H]1CCN(Cc2ccccc2)C1)c1ccc(OC(F)(F)F)c(c1)C#N

BDBM503051

OCC1CN(Cc2ccccc2)CCC1CCNC(=O)C1CCN(CC1)c1ccc(OC(F)(F)F)cc1

BDBM503052

FC(F)(F)c1cnc(N2CCC(CC2)C(=O)NCCC2CCN(Cc3ccccc3)CC2)c(Cl)c1

BDBM503053

OCC1(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)c(F)c2)CCN(Cc2ccccc2)CC1

BDBM503062

Fc1ccc(cc1C#N)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503069

FC1(F)Oc2ccc(cc2O1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503070

CC1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1

BDBM503071

Fc1cc(cc(F)c1F)N1CCC(CC1)C(=O)NCCC1CCN(CC1)c1ccccc1

BDBM503072

Fc1cc(ccc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503073

FC(F)(F)c1ccc(cc1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503074

COc1cc(ccc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503075

Fc1ccc(cc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503076

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1F

BDBM503077

FC(F)(F)Oc1cc(ccc1C#N)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503078

Fc1cc(cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N

BDBM503082

CC1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cccc(OC(F)(F)F)c1

BDBM503083

FC(F)(F)Oc1cccc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503084

OC1(CCNC(=O)C2CCN(CC2)c2ccc(OC(F)(F)F)c(c2)C#N)CCN(Cc2ccccc2)CC1

BDBM503085

Fc1ccc(cc1F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503086

Fc1cc(F)cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503087

FC(F)(F)Oc1cc(cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N

BDBM503107

Fc1cc(cc(F)c1F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503118

COc1cc(cc(c1)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1)C#N

BDBM503120

Cc1cc(ccc1OC(F)(F)F)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503121

FC(F)(F)Oc1ccc(cc1C#N)N1CCC(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503122

O[C@H](CNC(=O)C1CCN(CC1)c1ccc(F)c(c1)C#N)C1CCN(Cc2ccccc2)CC1

BDBM503143

C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cn1)C#N

BDBM503144

C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cn1)C(F)(F)F

BDBM503145

C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cc1F)C(F)(F)F

BDBM503188

Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503190

Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NCCC1(O)CCN(Cc2ccccc2)CC1

BDBM503192

Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NC[C@@H](O)C1CCN(Cc2ccccc2)CC1

BDBM503193

Cc1c(cnc2cc(nn12)-c1cccc(c1)C(F)(F)F)C(=O)NC[C@H](O)C1CCN(Cc2ccccc2)CC1

BDBM503196

Cc1c(cnc2cc(nn12)-c1ccc(F)cc1F)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503199

Cc1c(cnc2cc(nn12)-c1ccc(F)cc1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503200

Cc1c(cnc2cc(nn12)-c1cc(F)cc(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503211

Cc1c(cnc2cc(nn12)-c1cccc(OC(F)(F)F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503212

Cc1c(cnc2cc(nn12)-c1cc(F)c(F)c(F)c1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503225

C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(F)(F)F

BDBM503226

C[C@H]1CN(CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(Cl)cn1

BDBM503233

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(CC[Si](C)(C)C)CC1)c1ncc(cn1)C#N

BDBM503240

C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C(F)(F)F

BDBM503242

C[C@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(c(N)n1)C(F)(F)F

BDBM503245

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C#N

BDBM503246

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(cc1F)C#N

BDBM503247

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1

BDBM503248

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(F)cc1F

BDBM503250

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(F)c(Cl)c1

BDBM503251

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(Cl)c(F)c1

BDBM503252

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(C#N)c(F)c1

BDBM503253

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(cc1F)C#N

BDBM503255

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(C#N)c(F)c1

BDBM503256

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)c(Cl)c(F)c1

BDBM503257

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(Cl)c(F)c1

BDBM503258

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(F)c1

BDBM503260

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(OC(F)(F)F)c1

BDBM503263

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(cn1)C(F)(F)F

BDBM503264

C[C@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(cn1)C(F)(F)F

BDBM503265

COc1ccc(cc1C#N)N1C[C@H](C)N([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503266

FC(F)(F)c1cnc(cn1)N1CCN(CC1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503271

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cc(F)nc(F)c1

BDBM503272

C[C@@H]1CN(CCN1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ccc(C#N)c(c1)C(F)(F)F

BDBM503273

COc1cc(cc(F)c1C#N)N1CCN([C@H](C)C1)C(=O)NCCC1CCN(Cc2ccccc2)CC1

BDBM503277

C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(c(N)n1)C(F)(F)F

BDBM503278

C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1ncc(cn1)C#N

BDBM503280

C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(cn1)C(F)(F)F

BDBM503282

C[C@@H]1CN(C[C@@H](C)N1C(=O)NCCC1CCN(Cc2ccccc2)CC1)c1cnc(nc1)C(F)(F)F

BDBM525279

Cc1ccc(Cl)c2[nH]c3c(ccc(F)c3c12)C([O-])=O

BDBM616888

Ic1ccccc1S(=O)(=O)CCCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|

BDBM616890

COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|

BDBM616894

COc1cc(ccc1F)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|

BDBM616896

Fc1cccc(c1C1CC1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:15:17:24:20.21|

BDBM616897

FC1(F)CC1c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:16:18:25:21.22|

BDBM616898

CC(C)(O)c1cc(ccc1F)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:16:18:25:21.22|

BDBM616899

Fc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:12:14:21:17.18|

BDBM616900

Fc1cc(F)cc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|

BDBM616901

COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(C)nn1 |THB:13:15:22:18.19|

BDBM616902

COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(C)nc1 |THB:13:15:22:18.19|

BDBM616904

COc1cc(F)cc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|

BDBM616905

COc1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|

BDBM616906

COc1ccc(F)cc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|

BDBM616907

COc1c(F)cccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|

BDBM616908

COc1cc(ccn1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|

BDBM616909

COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C(F)(F)F |THB:13:15:22:18.19|

BDBM616911

COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(nn1)C(F)(F)F |THB:13:15:22:18.19|

BDBM616912

COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(C)cn1 |THB:13:15:22:18.19|

BDBM616913

COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(F)c(c1)C#N |THB:13:15:22:18.19|

BDBM616915

COc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(C#N)c(F)c1 |THB:13:15:22:18.19|

BDBM616917

O=C(CCS(=O)(=O)c1cccc(OC2CC2)c1)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:1:17:24:20.21|

BDBM616923

Brc1cccc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:12:14:21:17.18|

BDBM616926

O=C(CCS(=O)(=O)c1ncccc1C1CC1)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:1:16:23:19.20|

BDBM616928

Cc1c(F)cccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|

BDBM616933

O=C(CCS(=O)(=O)c1ccnc(c1)C1CC1)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:1:16:23:19.20|

BDBM616941

FC(F)c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:14:16:23:19.20|

BDBM616943

O=C(CCS(=O)(=O)c1cccnc1C1CC1)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:1:16:23:19.20|

BDBM616950

Brc1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:12:14:21:17.18|

BDBM616968

FC(F)(F)c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:15:17:24:20.21|

BDBM616969

FC(F)(F)Oc1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:16:18:25:21.22|

BDBM616970

CC(F)(F)c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:15:17:24:20.21|

BDBM616971

Cc1ccc(F)cc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|

BDBM616972

Cc1cc(F)cc(c1)S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |THB:13:15:22:18.19|

BDBM616973

FC1(F)C[C@@H]1c1ccccc1S(=O)(=O)CCC(=O)N1CC2CCC(C1)N2c1ccc(cn1)C#N |r,THB:16:18:21.22:25|

BDBM50308247

CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1[N@](C2)CCc4c3[nH]c5c4cc(cc5)OC

BDBM50005257

COc1cc(CC(C)N)c(OC)cc1Br

BDBM707600

CNC(C)Cc1ccc2c(c1)OCO2

BDBM50059891

COc1cc(cc(c1OC)OC)CCN

BDBM50005267

COc1cc(CCN)c(OC)cc1Br

BDBM50026868

CN(C)CCc1c[nH]c2c1cccc2

BDBM50081701

CN(C)CCc1c[nH]c2c1c(ccc2)O

BDBM30707

CN(C)CCc1c[nH]c2c1cc(cc2)OC

BDBM50240788

CCc1cc(OC)c(CCN)cc1OC

BDBM707484

CCSc1cc(OC)c(CCN)cc1OC

BDBM50164337

CCSc1cc(OC)c(CC(C)N)cc1OC

BDBM50005255

CCOc1cc(OC)c(CC(C)N)cc1OC

BDBM707610

COc1ccc2[nH]cc(CCN(C)C(C)C)c2c1

BDBM707611

CC(C)N(CCc1c[nH]c2ccccc12)C(C)C

BDBM707612

COc1ccc2[nH]cc(CCN(C(C)C)C(C)C)c2c1

BDBM707613

CCCN(CCC)CCc1c[nH]c2ccccc12

BDBM50164331

CCSc1cc(OC)c(CC(N)CC)cc1OC

BDBM707615

CN(C)CCc1c[nH]c2cc(F)ccc12

BDBM50056445

CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C

BDBM81783

BDBM50052339

NCCc1c2CCOc2c(Br)c2CCOc12

BDBM50005265

COc1cc(CC(C)N)c(OC)cc1C

BDBM50085972

COc1ccc2[nH]c(C)c(CCN(C)C)c2c1

BDBM34142

CCc1[nH]c2ccc(OC)cc2c1CCN(C)C

BDBM50240277

Fc1cc(NCC23CCCN2CCC3)c(Cl)cc1S(=O)(=O)Nc1nccs1

BDBM50240546

CCc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1

BDBM50240547

Clc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)cc1

BDBM50240548

Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2CCc3ccccc3C2)c(F)c1

BDBM50240543

Fc1ccc(Oc2cc(ncn2)N2CCC(CC2)C(=O)N2Cc3ccccc3C2)c(F)c1

BDBM50240533

Fc1ccccc1Oc1cc(ncn1)N1CCC(CC1)C(=O)N1CCc2ccccc2C1

BDBM50240692

Cc1ccc(Cc2cc3c(ncn([C@H]4CCCC[C@@H]4O)c3=O)c3ccccc23)cn1 |r|

BDBM50135213

Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)cc1 |r|

BDBM50240693

Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|

BDBM50240695

Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-n1cccn1 |r|

BDBM50240699

Cc1cc2CCN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-n1cccn1 |r|

BDBM50240700

Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cscn1 |r|

BDBM50240702

Cc1nc(co1)-c1ccc(Cc2cc3C(=O)N(Cc3cc2C)[C@H]2CCOC[C@@H]2O)cc1 |r|

BDBM50240703

Cc1nc(co1)-c1ccc(Cc2cc3C(=O)N(CCc3cc2C)[C@H]2CCOC[C@@H]2O)cc1 |r|

BDBM50240694

Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r|

BDBM50240704

Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cnn(C)c1 |r|

BDBM50240705

Cc1cc2CN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-n1ccnc1 |r|

BDBM50240706

Cc1cc2CCN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cscn1 |r|

BDBM50240707

Cc1cc2CCN([C@H]3CCOC[C@@H]3O)C(=O)c2cc1Cc1ccc(cc1)-c1cocn1 |r|

BDBM50240708

Cc1cn(cn1)-c1ccc(Cc2cc3C(=O)N(Cc3cc2C)[C@H]2CCOC[C@@H]2O)cc1 |r|

BDBM50246716

COc1cccc2CC[N+](C)(C)Cc12

BDBM50246718

COc1cccc2CCC(Cc12)[N+](C)(C)C

BDBM50246723

C[N+](C)(C)C1CCc2cccc(O)c2C1

BDBM50246734

COc1cccc2CCC(C[N+](C)(C)C)Cc12

BDBM50246725

COc1cccc2CC(C[N+](C)(C)C)CCc12

BDBM50246727

COc1cccc2CCC(Cc12)N(C)C

BDBM50246733

C[N+](C)(C)CCc1ccc2ccoc2c1

BDBM50246627

C[N+](C)(C)CCCc1ccc2ccoc2c1

BDBM50246711

COc1cccc(CC[N+](C)(C)C)c1

BDBM50246726

C[N+](C)(C)CCc1ccc2CCOc2c1

BDBM50246747

COc1ccccc1C[N+](C)(C)C

BDBM50246706

COc1ccccc1CC[N+](C)(C)C

BDBM50246748

COc1cccc(C=CC[N+](C)(C)C)c1

BDBM50246714

COc1cccc(c1)C#CC[N+](C)(C)C

BDBM50246749

COc1cccc2C[N+](C)(C)CCc12

BDBM50246628

C[N+](C)(C)C1CCc2ccc3ccoc3c2C1

BDBM50246735

C[N+](C)(C)CCc1cccc(O)c1

BDBM50246640

COc1ccc(F)c(CC[N+](C)(C)C)c1

BDBM50246641

COc1cccc(c1)C(O)C[N+](C)(C)C

BDBM50246728

CCOc1cccc(CC[N+](C)(C)C)c1

BDBM50246672

C[N+](C)(C)CCc1cccc(Cl)c1

BDBM50246674

C(OC1CCNC1)c1nccs1

BDBM50246675

C(OCc1cccnc1)C1CCNC1

BDBM50246729

C[N+]1(C)CCC(C1)OCc1nccs1

BDBM50246702

CN1CCC(COCc2cccnc2)C1

BDBM50246724

COc1cccc2CC(CCc12)[N+](C)(C)C

BDBM50246626

CN(C)C1CCc2cccc(O)c2C1

BDBM50448377

C[N+](C)(C)CC#CCOC1=NOCC1

BDBM50246629

CNCCc1cccc(OC)c1

BDBM50246652

COc1cccc(c1)C(=O)C[N+](C)(C)C

BDBM50246673

C[N+](C)(C)CCc1cccc(OC(F)(F)F)c1

BDBM50246607

C(OC1CCCNC1)c1cccnc1

BDBM50246703

CN1CCCC(C1)OCc1cccnc1

BDBM50246712

COc1cccc(CCC[N+](C)(C)C)c1

BDBM50246715

COc1cccc(c1)C1CC1C[N+](C)(C)C

BDBM50003350

CCCCCCCc1nsnc1C1=CCCN(C)C1 |t:13|

BDBM50003349

CCCCCCCOc1nccnc1C1=CCCN(C)C1 |t:15|

BDBM50003367

CCOc1nccnc1C1=CCCN(C)C1 |t:10|

BDBM50003351

CCCCOc1nsnc1C1=CCCN(C)C1 |t:11|

BDBM50003357

CCCCOc1nccnc1C1=CCCN(C)C1 |t:12|

BDBM50003355

CCCCCCSc1nsnc1C1=CCCN(C)C1 |t:13|

BDBM50003356

CCCCCCCOc1nsnc1C1=CCCN(C)C1 |t:14|

BDBM50003370

COc1nccnc1C1=CCCN(C)C1 |t:9|

BDBM50003358

CN1CCC=C(C1)c1nsnc1Cl |c:4|

BDBM50003353

CN1CCC=C(C1)c1nccnc1Cl |c:4|

BDBM50003360

CCCOc1nccnc1C1=CCCN(C)C1 |t:11|

BDBM50003361

COc1nsnc1C1=CCCN(C)C1 |t:8|

BDBM50003363

CCCCCSc1nsnc1C1=CCCN(C)C1 |t:12|

BDBM50003362

CCCCCSc1nccnc1C1=CCCN(C)C1 |t:13|

BDBM50003369

CCCOc1nsnc1C1=CCCN(C)C1 |t:10|

BDBM50003352

CCCCCCSc1nccnc1C1=CCCN(C)C1 |t:14|

BDBM50003354

CCCCCOc1nccnc1C1=CCCN(C)C1 |t:13|

BDBM50003366

CCCCCOc1nsnc1C1=CCCN(C)C1 |t:12|

BDBM50003364

CCCCCCOc1nccnc1C1=CCCN(C)C1 |t:14|

BDBM50003365

CCOc1nsnc1C1=CCCN(C)C1 |t:9|

BDBM50003371

CCCCCCOc1nonc1C1=CCCN(C)C1 |t:13|

BDBM50003372

CCCCCCNc1nsnc1C1=CCCN(C)C1 |t:13|

BDBM50004653

CN(C)CCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O

BDBM50004660

CN(C)Cc1ccc(CSCCNc2cc(NCc3cccnc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1

BDBM50004663

CN(C)Cc1ccc(CSCCNc2cc(Nc3ccc(F)cc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1

BDBM50004661

CN(C)Cc1ccc(CSCCNc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)o1

BDBM50004664

CN(C)Cc1ccc(CSCCNc2cc(N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1

BDBM50004658

CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3C#N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1

BDBM50004657

CN(C)Cc1ccc(CSCCNc2cc(F)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1

BDBM8961

c1ccc2c(c1)c(c3c(n2)CCCC3)N

BDBM50004000

CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r|

BDBM50004666

C[C-](C)\N=[NH+]\c1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O

BDBM50004669

CCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O

BDBM50004654

CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccn3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1

BDBM50004659

CN(C)Cc1ccc(CSCCNc2nnccc2[N+]([O-])=O)o1

BDBM50004667

CNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O

BDBM50004673

CN(C)Cc1ccc(CSCCNc2ccc(F)cc2[N+]([O-])=O)o1

BDBM50004652

CN(C)Cc1ccc(CSCCNc2cc(NN)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1

BDBM50004670

CN(C)Cc1ccc(CSCCNc2cc(NCc3ccccc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1

BDBM50004674

CN(C)Cc1ccc(CSCCNc2cc(NCCCN3CCOCC3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1

BDBM50004662

CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1

BDBM50249403

Cc1nnc2sc(C(=O)NCc3ccc(cc3)-c3cccnc3F)c(N)c2c1C

BDBM50005364

Cc1noc(n1)C1(C)CN2CCC1C2 |TLB:4:6:13:11.10,THB:7:6:13:11.10|

BDBM50005363

Cc1noc(n1)C1CN2CCC1C2 |TLB:4:6:12:10.9|

BDBM50005680

CCN(CC)CCCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1

BDBM50005681

CN(C)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1

BDBM50005682

CN(C)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1

BDBM50005686

CCN(CC)CCOC(=O)C(C)(C1CCCCC1)c1ccccc1

BDBM50005684

CCN(CC)CCCOC(=O)C(C)(C1CCCCC1)c1ccccc1

BDBM50005683

CCN(CC)CCCCOC(=O)C(C)(C1CCCCC1)c1ccccc1

BDBM50005844

C[C@@H]1CC2(CO1)CN1CCC2CC1 |wU:1.0,(16.56,-.55,;15.01,-.56,;13.51,-.88,;13.35,-2.41,;14.76,-3.03,;15.79,-1.89,;13.35,-3.95,;12.01,-4.72,;10.68,-3.95,;10.68,-2.41,;12.01,-1.64,;11.49,-2.82,;12.61,-3.47,)|

BDBM50005848

C[C@@H]1OCC2(CN3CCC2CC3)O1 |wD:1.0,(15.15,-4.25,;14.53,-5.65,;15.3,-6.97,;14.28,-8.13,;12.87,-7.51,;12.87,-9.05,;11.53,-9.82,;10.2,-9.05,;10.2,-7.51,;11.53,-6.74,;11,-7.9,;12.13,-8.54,;13.03,-5.97,)|

BDBM50005849

C1OCC2(CN3CCC2CC3)O1 |(15.01,-.56,;15.79,-1.89,;14.76,-3.03,;13.35,-2.41,;13.35,-3.95,;12.01,-4.72,;10.68,-3.95,;10.68,-2.41,;12.01,-1.64,;11.49,-2.82,;12.61,-3.47,;13.51,-.88,)|

BDBM50005850

C[C@H]1OCC2(CN3CCC2CC3)O1 |wU:1.0,(13.51,6.12,;11.97,6.12,;12.74,4.77,;11.71,3.63,;10.3,4.26,;10.3,2.72,;8.96,1.95,;7.64,2.72,;7.64,4.26,;8.96,5.03,;8.44,3.84,;9.56,3.2,;10.46,5.8,)|

BDBM50005843

C[C@@H]1CCC2(CN3CCC2CC3)O1 |wD:1.0,(8.15,-1.22,;7.52,-2.61,;8.29,-3.96,;7.26,-5.1,;5.85,-4.47,;5.85,-6.01,;4.5,-6.78,;3.19,-6.01,;3.19,-4.47,;4.5,-3.7,;3.99,-4.89,;5.11,-5.53,;6.01,-2.93,)|

BDBM50005845

C[C@H]1CC2(CO1)CN1CCC2CC1 |wD:1.0,(15.64,.86,;15.01,-.56,;13.51,-.88,;13.35,-2.41,;14.76,-3.03,;15.79,-1.89,;13.35,-3.95,;12.01,-4.72,;10.68,-3.95,;10.68,-2.41,;12.01,-1.64,;11.49,-2.82,;12.61,-3.47,)|

BDBM50005847

C[C@H]1CCC2(CN3CCC2CC3)O1 |wU:1.0,(16.07,-5.59,;14.53,-5.59,;15.3,-6.94,;14.28,-8.1,;12.87,-7.45,;12.87,-8.99,;11.52,-9.76,;10.2,-8.99,;10.2,-7.45,;11.52,-6.68,;11,-7.87,;12.13,-8.51,;13.03,-5.91,)|

BDBM50005846

CC1(C)OCC2(CN3CCC2CC3)O1 |(16.5,-.14,;15.01,-.56,;14.22,.79,;15.79,-1.89,;14.76,-3.03,;13.35,-2.41,;13.35,-3.95,;12.01,-4.72,;10.68,-3.95,;10.68,-2.41,;12.01,-1.64,;11.49,-2.82,;12.61,-3.47,;13.51,-.88,)|

O=C1CCCN1CC#CCN1CCC1

CNCC#CCN1CCCC1=O

CN(C)CC#CCN1CCCC1=O

CCN(C)CC#CCN1CCCC1=O

CN1CCC[C@@H]1CC#CCN1CCCC1=O |r|

BDBM50455987

O=C1CCCN1CC#CC[C@H]1CCCCN1 |r|

BDBM50455986

CN1CCCC[C@@H]1CC#CCN1CCCC1=O |r|

BDBM50455982

CN1CCCC[C@H]1CC#CCN1CCCC1=O |r|

BDBM50455981

O=C1CCCN1CC#CC[C@@H]1CCCCN1 |r|

BDBM50455983

O=C1CCCN1CC#CC[C@@H]1CCCN1 |r|

BDBM50455984

CN1CCC[C@H]1CC#CCN1CCCC1=O |r|

BDBM50455988

O=C1CCCN1CC#CC[C@H]1CCCN1 |r|

BDBM50006244

C[C@H]1O[C@@H](C[N+](C)(C)C)CC1=O

BDBM50006243

C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O

BDBM50006245

C[C@@H]1O[C@@H](C[N+](C)(C)C)CC1=O

BDBM50006248

C[C@H]1O[C@@H](C[N+](C)(C)C)C[C@@H]1O

BDBM50006247

C[C@H]1O[C@H](C[N+](C)(C)C)CC1=O

BDBM50006246

C[C@@H]1O[C@H](C[N+](C)(C)C)CC1=O

BDBM50006549

CN1CC2CC(OC(C)=O)C1C2 |TLB:0:1:5.4:11,THB:6:5:1.2:11|

BDBM50006546

CC(=O)OC1CC2CC1CN2Cc1ccccc1 |TLB:3:4:10.9:7,11:10:4.5:7|

BDBM50453183

CN1CC2CC1C[C@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 |r,THB:8:7:1.2:4,0:1:7.6:4|

BDBM50453182

CN1CC2C[C@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C1C2 |r,TLB:6:5:1.2:24,0:1:5.4:24|

BDBM50453190

CC(=O)O[C@H]1CC2CC1N(Cc1ccccc1)C2 |r,TLB:3:4:9.17:7,10:9:4.5:7|

BDBM50453189

CN1CC2CC1C[C@H]2OC(C)=O |r,TLB:8:7:1.2:4,THB:0:1:7.6:4|

BDBM50453186

CN1CC2C[C@@H](OC(=O)C(C)(c3ccccc3)c3ccccc3)C1C2 |r,TLB:6:5:1.2:24,0:1:5.4:24|

BDBM50453184

CN1CC2CC1C[C@@H]2OC(C)=O |r,TLB:8:7:1.2:4,THB:0:1:7.6:4|

BDBM50453188

CN1CC2CC1C[C@@H]2OC(=O)C(C)(c1ccccc1)c1ccccc1 |r,THB:8:7:1.2:4,0:1:7.6:4|

BDBM50453187

CC(=O)O[C@@H]1CC2CC1N(Cc1ccccc1)C2 |r,TLB:3:4:9.17:7,10:9:4.5:7|

BDBM50006575

CCCCCCS(=O)(=O)c1nsnc1C1=CCCN(C)C1 |t:15|

BDBM50006577

CCC(C)CCOc1nsnc1C1=CCCN(C)C1 |t:13|

BDBM50006580

CSc1nsnc1C1=CCCN(C)C1 |t:8|

BDBM50006600

CCCCCCS(=O)c1nsnc1C1=CCCN(C)C1 |t:14|

BDBM50006579

CCCCOc1nonc1C1=CCCN(C)C1 |t:11|

BDBM50006582

CCCSc1nsnc1C1=CCCN(C)C1 |t:10|

BDBM50006588

CCCCCCCCOc1nsnc1C1=CCCN(C)C1 |t:15|

BDBM50006583

CCCCCc1nsnc1C1=CCCN(C)C1 |t:11|

BDBM50006574

CCSc1nsnc1C1=CCCN(C)C1 |t:9|

BDBM50006591

CCCCCCCCSc1nsnc1C1=CCCN(C)C1 |t:15|

BDBM50006597

CCCc1nsnc1C1=CCCN(C)C1 |t:9|

BDBM50006572

CCCCSc1nsnc1C1=CCCN(C)C1 |t:11|

BDBM50006599

CN1CCC=C(C1)c1cnsn1 |c:4|

BDBM50006592

CC(C)CCCOc1nsnc1C1=CCCN(C)C1 |t:13|

BDBM50006598

CCCCC(C)Oc1nsnc1C1=CCCN(C)C1 |t:13|

BDBM50006595

CCCCCCCSc1nsnc1C1=CCCN(C)C1 |t:14|

BDBM50006587

CCCC(C)COc1nsnc1C1=CCCN(C)C1 |t:13|

BDBM50006590

CCCCCCCCc1nsnc1C1=CCCN(C)C1 |t:14|

BDBM50008064

CCN1[C@@H](Cc2cncn2C)COC1=O

BDBM50008068

CC1OCC(CN(C)C)O1

BDBM50008069

CC[C@@H]1[C@@H](Cc2cncn2C)CN(C)C1=O

BDBM50008070

CC[C@H]1[C@@H](Cc2cncn2C)CSC1=O

BDBM50008071

Cc1ccc(C[N+](C)(C)C)o1

BDBM50008073

Cn1cncc1C[C@H]1COC(=O)C1

BDBM50008065

CC[C@H]1[C@@H](Cc2cncn2C)COC1O

BDBM50008074

CC[C@H]1[C@@H](Cc2cncn2C)CNC1=O

BDBM50008076

CC[C@H]1[C@@H](Cc2cncn2C)CN(C)C1=O

BDBM50008077

CC[C@@H]1[C@@H](Cc2cncn2C)CSC1O

BDBM50008079

CC[C@H]1[C@@H](Cc2cncn2C)CSC1O

BDBM50008067

CC[C@@H]1[C@@H](Cc2cncn2C)CNC1=O

BDBM50008080

CC[C@@H]1COC[C@@H]1Cc1cncn1C

BDBM50008081

CC[C@@H]1[C@@H](Cc2cncn2C)CSC1=S

BDBM50008078

CC[C@@H]1[C@@H](Cc2cncn2C)CSC1=O

BDBM50008075

CC[C@@H]1[C@@H](Cc2cncn2C)COC1=O

BDBM50341448

CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O

BDBM50262492

CCCCc1cc(OC2CCN(CCCCNS(=O)(=O)CC)CC2)c2ncccc2c1

BDBM50263495

O=C1CCc2ccccc2N1CCCN1CCC(Cc2ccccc2)CC1

BDBM50452855

[H][C@@]12O[C@@]1([H])[C@]1([H])C[C@@H](C[C@@]2([H])N1C)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:14:8:12:1.3,2:1:12:8.7.9,2:3:12:8.7.9|

BDBM50263488

O=C1CCc2ccccc2N1CCCN1CCN(CC1)c1ccccc1

BDBM50263485

CC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

BDBM50263494

CCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

BDBM50263502

O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccccc1

BDBM50263486

O=C1CCc2ccccc2N1CCCN1CCC(CCc2ccccc2)CC1

BDBM50263496

O=C1CCc2ccccc2N1CCCN1CCN(Cc2ccccc2)CC1

BDBM50263493

O=C1CCc2ccccc2N1CCCN1CCN(CCc2ccccc2)CC1

BDBM50263501

CCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

BDBM50263487

CCCCN1CCN(CCCN2C(=O)CCc3ccccc23)CC1

BDBM50266000

CCC(=O)NC1CN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)C1

BDBM50265995

CCC(=O)NCc1cc(cc(c1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1)C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1

BDBM50268343

C[C@H]1CCCCN1c1ccc(nn1)N1CCN(CC1)S(=O)(=O)c1ccccc1Cl |r|

BDBM50268390

Cc1noc(C)c1S(=O)(=O)N1CCN(CC1)c1ccc(nn1)N1CCCC(C)(C)C1

BDBM50012327

CC(=O)NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012337

CCN1c2cccnc2N(C(=O)CN2CCN(C)CC2)c2ccccc2C1=O

BDBM50012342

NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012345

NCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012330

CS(=O)(=O)N1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012343

NCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012344

CCN(CC)CCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012346

CC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012348

O=C(CN1CCN(CCCCCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50012351

NCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012338

CC(C)(C)OC(=O)NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012352

CSc1ccc2N(C(=O)CN3CCN(C)CC3)c3ncccc3NC(=O)c2c1

BDBM50012349

O=C(CN1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50012354

CC(=O)N1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012335

CN1CCN(CC(=O)N2c3ccc(cc3C(=O)Nc3cccnc23)S(N)(=O)=O)CC1

BDBM50012350

CC(C)(C)OC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012356

CN1CCN(CC(=O)N2c3cc(CO[Si](C)(C)C(C)(C)C)ccc3C(=O)Nc3cccnc23)CC1

BDBM50012328

CNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc34)CC2)cc1

BDBM50012359

NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012333

O=C(CN1CCN(CC1)C(=S)Nc1ccccc1)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50012361

CN1CCN(CC(=O)N2c3ccc(cc3C(=O)Nc3cccnc23)S(=O)(=O)NCCN)CC1

BDBM50012336

COc1ccccc1CNCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012353

NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012363

NCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc34)CC2)cc1

BDBM50012332

NCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012369

CC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012365

ClCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012364

OCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012334

CN1CCN(CC(=O)N2c3ccc(cc3C(=O)Nc3cccnc23)S(=O)(=O)NCCNC(=O)OC(C)(C)C)CC1

BDBM50012373

CN1CCN(CC(=O)N2c3cc(CO)ccc3C(=O)Nc3cccnc23)CC1

BDBM50012371

CC(=O)NCCCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012329

O=C(CN1CCN(CC1)C(=O)c1ccccc1)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50012370

O=C(CN1CCN(CC#C)CC1)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50012339

NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012358

CC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012360

NCCCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012366

NCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012331

O=C(CN1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50012374

CN1CCN(CC(=O)N2c3ccccc3C(=O)N(CCCCCCC#N)c3cccnc23)CC1

BDBM50012362

CC(C)(C)OC(=O)NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50012341

CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc34)CC2)cc1

BDBM50012340

O=C(CN1CCN(Cc2ccccc2)CC1)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50012367

CN1CCN(CC(=O)N2c3ccc(cc3C(=O)Nc3cccnc23)S(=O)(=O)NCCNC(C)=O)CC1

BDBM50012357

O=C(CN1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50012372

NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50406547

O=C(CN1CCNCC1)N1c2ncccc2NC(=O)c2cccnc12

BDBM50385677

CN(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|

BDBM50370682

[H]C12CCN(CC1)C[C@@H]2OC(=O)N1CCc2ccccc2[C@@H]1c1ccccc1 |wD:8.10,21.25,TLB:9:8:2.3:6.5,(23.54,-9.18,;23.57,-7.64,;22.04,-8.3,;21.84,-6.92,;23.31,-6.28,;23.38,-4.63,;23.82,-5.74,;24.65,-6.88,;24.94,-8.28,;24.93,-9.81,;23.59,-10.56,;22.26,-9.79,;23.59,-12.1,;24.92,-12.9,;24.88,-14.45,;23.53,-15.19,;23.52,-16.72,;22.17,-17.47,;20.85,-16.68,;20.87,-15.14,;22.21,-14.39,;22.23,-12.84,;20.91,-12.06,;19.57,-12.81,;18.25,-12.02,;18.28,-10.47,;19.62,-9.73,;20.94,-10.52,)|

BDBM50270738

C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:10.11,2.1,(11.64,-32.33,;12.97,-31.58,;14.3,-32.35,;14.29,-33.89,;15.61,-34.66,;16.95,-33.9,;16.95,-32.36,;15.62,-31.58,;14.9,-32.95,;16.17,-33.56,;10.3,-31.57,;10.3,-30.03,;8.97,-29.25,;7.64,-30.03,;7.62,-31.56,;8.97,-32.33,;6.28,-30.79,;6.29,-29.25,;4.95,-28.48,;3.62,-29.25,;3.62,-30.8,;4.96,-31.56,;6.85,-32.89,;5.31,-32.89,;4.54,-34.22,;5.31,-35.56,;6.86,-35.55,;7.62,-34.21,)|

BDBM50270743

C[C@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@@H]1CN2CCC1CC2 |r,wU:1.21,22.24,(10.43,-17.74,;9.11,-18.52,;9.1,-16.98,;7.78,-16.21,;6.45,-16.98,;6.42,-18.51,;7.78,-19.28,;5.08,-17.74,;5.09,-16.2,;3.76,-15.43,;2.42,-16.2,;2.43,-17.75,;3.76,-18.51,;5.65,-19.85,;4.11,-19.84,;3.34,-21.17,;4.12,-22.51,;5.66,-22.5,;6.43,-21.17,;10.44,-19.28,;10.44,-20.83,;11.77,-18.53,;13.1,-19.3,;13.09,-20.84,;14.42,-21.61,;15.75,-20.85,;15.76,-19.31,;14.43,-18.53,;13.7,-19.9,;14.98,-20.51,)|

BDBM50270741

C[C@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.21,wD:22.24,(42.31,-18.39,;40.98,-19.16,;40.98,-17.63,;39.65,-16.85,;38.32,-17.63,;38.29,-19.15,;39.65,-19.93,;36.96,-18.38,;36.96,-16.84,;35.63,-16.07,;34.29,-16.85,;34.3,-18.4,;35.64,-19.16,;37.52,-20.49,;35.98,-20.48,;35.21,-21.81,;35.99,-23.15,;37.54,-23.14,;38.3,-21.81,;42.31,-19.93,;42.31,-21.48,;43.64,-19.17,;44.98,-19.94,;44.96,-21.48,;46.29,-22.25,;47.62,-21.49,;47.63,-19.95,;46.3,-19.17,;45.58,-20.55,;46.85,-21.15,)|

BDBM50270745

C[C@@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:1.0,wD:22.24,(27.76,-18.67,;26.43,-19.45,;26.43,-17.91,;25.1,-17.14,;23.77,-17.91,;23.74,-19.44,;25.1,-20.21,;22.41,-18.67,;22.41,-17.13,;21.08,-16.36,;19.74,-17.13,;19.75,-18.68,;21.09,-19.44,;22.97,-20.78,;21.43,-20.77,;20.66,-22.1,;21.44,-23.44,;22.99,-23.43,;23.75,-22.1,;27.76,-20.21,;27.76,-21.76,;29.1,-19.46,;30.43,-20.23,;30.41,-21.77,;31.74,-22.54,;33.07,-21.78,;33.08,-20.24,;31.75,-19.46,;31.03,-20.83,;32.3,-21.44,)|

BDBM50270737

O=C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:3.2,wD:11.12,(58.89,-7.67,;58.89,-6.13,;60.23,-5.37,;61.56,-6.14,;61.54,-7.68,;62.87,-8.45,;64.2,-7.69,;64.21,-6.15,;62.88,-5.37,;62.16,-6.74,;63.43,-7.35,;57.56,-5.36,;57.56,-3.82,;56.23,-3.04,;54.9,-3.82,;54.87,-5.35,;56.23,-6.12,;53.54,-4.58,;53.54,-3.04,;52.21,-2.27,;50.87,-3.04,;50.88,-4.59,;52.22,-5.35,;54.1,-6.68,;52.56,-6.68,;51.8,-8.01,;52.57,-9.35,;54.12,-9.34,;54.88,-8,)|

BDBM50270740

O=C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:11.12,wD:3.2,(41.47,-7.76,;41.47,-6.22,;42.8,-5.45,;44.13,-6.22,;44.12,-7.76,;45.44,-8.53,;46.78,-7.77,;46.79,-6.23,;45.46,-5.45,;44.73,-6.83,;46.01,-7.43,;40.14,-5.45,;40.13,-3.91,;38.81,-3.13,;37.48,-3.91,;37.45,-5.43,;38.81,-6.21,;36.12,-4.66,;36.12,-3.12,;34.79,-2.35,;33.45,-3.13,;33.46,-4.68,;34.79,-5.44,;36.68,-6.77,;35.14,-6.76,;34.37,-8.1,;35.15,-9.43,;36.7,-9.42,;37.46,-8.09,)|

BDBM50270744

O=C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:11.12,3.2,(25.85,-7.85,;25.85,-6.31,;27.18,-5.54,;28.51,-6.32,;28.5,-7.85,;29.82,-8.63,;31.16,-7.86,;31.17,-6.33,;29.83,-5.55,;29.11,-6.92,;30.39,-7.53,;24.52,-5.54,;24.51,-4,;23.18,-3.22,;21.86,-4,;21.83,-5.53,;23.18,-6.3,;20.49,-4.76,;20.5,-3.22,;19.17,-2.45,;17.83,-3.22,;17.84,-4.77,;19.17,-5.53,;21.06,-6.86,;19.52,-6.85,;18.75,-8.19,;19.52,-9.52,;21.07,-9.52,;21.84,-8.18,)|

BDBM50385676

CN(C)C[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|

BDBM50270731

C(O[C@@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:2.1,wD:10.11,(59.71,-34.29,;61.05,-33.54,;62.38,-34.31,;62.36,-35.85,;63.69,-36.62,;65.02,-35.86,;65.03,-34.32,;63.7,-33.54,;62.98,-34.91,;64.25,-35.52,;58.38,-33.53,;58.37,-31.99,;57.05,-31.22,;55.72,-31.99,;55.69,-33.52,;57.05,-34.29,;54.36,-32.75,;54.36,-31.21,;53.03,-30.44,;51.69,-31.21,;51.7,-32.76,;53.04,-33.52,;54.92,-34.86,;53.38,-34.85,;52.61,-36.18,;53.39,-37.52,;54.94,-37.51,;55.7,-36.18,)|

BDBM50270742

C(O[C@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:10.11,wD:2.1,(44.01,-33.15,;45.34,-32.4,;46.67,-33.17,;46.66,-34.71,;47.99,-35.48,;49.32,-34.72,;49.33,-33.18,;48,-32.4,;47.27,-33.77,;48.55,-34.38,;42.68,-32.39,;42.67,-30.85,;41.35,-30.07,;40.02,-30.85,;39.99,-32.38,;41.35,-33.15,;38.66,-31.61,;38.66,-30.07,;37.33,-29.3,;35.99,-30.07,;36,-31.62,;37.33,-32.38,;39.22,-33.71,;37.68,-33.71,;36.91,-35.04,;37.69,-36.38,;39.24,-36.37,;40,-35.03,)|

BDBM50270746

C(O[C@H]1CN2CCC1CC2)[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wD:10.11,2.1,(29.11,-33.44,;30.44,-32.68,;31.77,-33.45,;31.76,-34.99,;33.08,-35.76,;34.42,-35,;34.43,-33.46,;33.1,-32.68,;32.37,-34.06,;33.65,-34.67,;27.77,-32.68,;27.77,-31.14,;26.45,-30.36,;25.12,-31.14,;25.09,-32.66,;26.45,-33.44,;23.75,-31.9,;23.76,-30.35,;22.43,-29.59,;21.09,-30.36,;21.1,-31.91,;22.43,-32.67,;24.32,-34,;22.78,-33.99,;22.01,-35.33,;22.78,-36.66,;24.33,-36.66,;25.1,-35.32,)|

BDBM50270739

C[C@@]1(COCC(O1)(c1ccccc1)c1ccccc1)C(=O)O[C@@H]1CN2CCC1CC2 |r,wU:1.0,22.24,(58.5,-19.15,;57.17,-19.93,;57.17,-18.39,;55.84,-17.61,;54.52,-18.39,;54.49,-19.92,;55.84,-20.69,;53.15,-19.15,;53.16,-17.61,;51.82,-16.84,;50.49,-17.61,;50.5,-19.16,;51.83,-19.92,;53.72,-21.25,;52.18,-21.24,;51.41,-22.58,;52.18,-23.92,;53.73,-23.91,;54.49,-22.57,;58.51,-20.69,;58.51,-22.24,;59.84,-19.93,;61.17,-20.71,;61.16,-22.24,;62.48,-23.02,;63.82,-22.25,;63.83,-20.71,;62.49,-19.94,;61.77,-21.31,;63.05,-21.92,)|

BDBM50270730

O=C(O[C@@H]1CN2CCC1CC2)[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r,wU:11.12,3.2,(10.27,-7.87,;10.27,-6.34,;11.6,-5.57,;12.93,-6.34,;12.92,-7.88,;14.24,-8.65,;15.58,-7.89,;15.59,-6.35,;14.25,-5.57,;13.53,-6.94,;14.81,-7.55,;8.94,-5.56,;8.93,-4.02,;7.6,-3.25,;6.28,-4.02,;6.25,-5.55,;7.6,-6.32,;4.91,-4.78,;4.92,-3.24,;3.59,-2.47,;2.25,-3.24,;2.26,-4.79,;3.59,-5.56,;5.48,-6.89,;3.94,-6.88,;3.17,-8.21,;3.94,-9.55,;5.49,-9.54,;6.26,-8.21,)|

BDBM392076

CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12 |r,wU:27.28,wD:29.33,(8.76,1.15,;7.67,.06,;6.19,.46,;7.28,1.55,;8.07,-1.42,;6.98,-2.51,;6.59,-4,;8.07,-3.6,;5.5,-2.11,;5.1,-.63,;3.61,-.23,;2.52,-1.32,;1.03,-.92,;.56,.55,;-.98,.55,;-1.46,-.92,;-.21,-1.82,;-.21,-3.36,;-1.55,-4.13,;-2.88,-3.36,;-4.21,-4.13,;-4.21,-5.67,;-2.88,-6.44,;-1.55,-5.67,;-2.07,1.64,;-1.67,3.12,;-3.56,1.24,;-4.65,2.33,;-6.19,2.33,;-6.19,3.87,;-4.65,3.87,;-7.28,4.96,;-6.88,6.44,;-8.76,4.56,;2.92,-2.8,;1.83,-3.89,;2.23,-5.38,;3.72,-5.78,;4.81,-4.69,;4.41,-3.2,)|

BDBM50273320

Cn1cc(cn1)-c1ccc(CN2CC(Oc3ccccc23)C(=O)N[C@H]2CCCC[C@@H]2O)cn1 |r|

BDBM50273234

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccc(F)cc2O1 |r|

BDBM50273240

O[C@H]1COCC[C@@H]1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1 |r|

BDBM50273241

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(Br)nc2)c2ccccc2O1 |r|

BDBM50273243

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(nc2)-n2cccc2)c2ccccc2O1 |r|

BDBM50273244

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2cc(Cl)ccc2O1 |r|

BDBM50273245

CC(C)(O)CNC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1

BDBM50273248

O[C@H]1CCCC[C@@H]1NC(=O)[C@H]1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1 |r|

BDBM50273249

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2cccc(F)c2O1 |r|

BDBM50273266

O=C(N[C@H]1CCCCC1=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1 |r|

BDBM50273267

O[C@H]1CCC[C@@H]1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1 |r|

BDBM50273268

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(nc2)C(F)(F)F)c2ccccc2O1 |r|

BDBM50273317

CC(O)(CNC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1)C1CC1

BDBM50273278

NC1CCCCC1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1

BDBM50273279

Oc1cccnc1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1

BDBM50273280

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(Cl)nc2)c2ccccc2O1 |r|

BDBM50273242

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(nc2)C2CC2)c2ccccc2O1 |r|

BDBM50273233

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1 |r|

BDBM50273293

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2C1 |r|

BDBM50273269

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(nc2)-n2cccn2)c2ccccc2O1 |r|

BDBM50273294

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(cc2)-n2cccc2)c2ccccc2O1 |r|

BDBM50273295

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2cc(F)ccc2O1 |r|

BDBM50273321

Cc1ccc(CN2CC(Oc3ccccc23)C(=O)N[C@H]2CCCC[C@@H]2O)cn1 |r|

BDBM50273300

OC(CNC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1)C(F)(F)F

BDBM50273296

O=C(NC1CCOCC1)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1

BDBM50273301

Fc1cccnc1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1

BDBM50273302

COc1cccnc1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1

BDBM50273277

O=C(NC1CCCCC1)C1CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1

BDBM50273308

CC1(CN(Cc2ccc(cc2)-n2cccn2)c2ccccc2O1)C(=O)N[C@H]1CCCC[C@@H]1O |r|

BDBM50273304

Cc1ccn(n1)-c1ccc(CN2CC(Oc3ccccc23)C(=O)N[C@H]2CCCC[C@@H]2O)cn1 |r|

BDBM50273307

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(cc2F)-n2cccn2)c2ccccc2O1 |r|

BDBM50273303

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(nc2)-n2ccnc2)c2ccccc2O1 |r|

BDBM50273306

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(C=C)nc2)c2ccccc2O1 |r|

BDBM50273305

Cn1nccc1-c1ccc(CN2CC(Oc3ccccc23)C(=O)N[C@H]2CCCC[C@@H]2O)cn1 |r|

BDBM50313638

COc1ccc(Cn2cc(C(O)=O)c(=O)c3ccccc23)cc1

BDBM50273318

CN(C)c1ccc(CN2CC(Oc3ccccc23)C(=O)N[C@H]2CCCC[C@@H]2O)cn1 |r|

BDBM50273319

O[C@H]1CCCC[C@@H]1NC(=O)C1CN(Cc2ccc(cc2)-n2cccn2)c2c(F)cccc2O1 |r|

BDBM50370597

CCOC(=O)CCN1CCN(CC1)c1ccc2CN(Cc2c1)C(=O)OCc1ccccc1

BDBM50451883

Cc1nnc2sc(C(=O)N3CC(C3)c3ccccc3)c(N)c2c1C

BDBM50452379

Clc1ccc2NC(=S)[C@H](CC3CC3)N=C(c3ccccc3)c2c1 |r,t:14|

BDBM50452380

CC(C)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:4|

BDBM50452381

CC(C)[C@@H]1N=C(c2cccnc2)c2cc(Cl)ccc2NC1=S |r,t:4|

BDBM50452382

CCC1N=C(c2ccccc2)c2cc(N)ccc2NC1=S |t:3|

BDBM50452384

CN1c2ccc(Cl)cc2C(=NCC1=S)c1ccccc1 |c:10|

BDBM50452385

S=C1CN=C(c2ccccc2)c2ccccc2N1 |t:3|

BDBM50452386

Fc1ccccc1C1=NCC(=S)Nc2ccccc12 |t:8|

BDBM50452387

Brc1ccc2NC(=S)CN=C(c3ccccc3)c2c1 |t:9|

BDBM50452388

CSc1ccc2NC(=S)CN=C(c3ccccc3)c2c1 |t:10|

BDBM50452389

[O-][N+](=O)c1ccc2NC(=S)CN=C(c3ccccc3)c2c1 |t:11|

BDBM50452390

CCC[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:4|

BDBM50452391

FC(F)(F)C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:6|

BDBM50452392

Fc1ccccc1C1=N[C@H](c2ccccc2)C(=S)Nc2ccc(Cl)cc12 |r,t:8|

BDBM50452383

CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:4|

BDBM50452393

CC(C)[C@@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S |r,t:4|

BDBM50452394

CC(C)(O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |t:5|

BDBM50452395

CCOC(=O)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |t:6|

BDBM50452396

CCOC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |t:4|

BDBM50452397

Clc1ccc2NC(=S)C(N=C(c3ccccc3)c2c1)n1ccnc1 |t:9|

BDBM50452398

CCC[C@@]1(C)N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:5|

BDBM50452399

CC(=O)OC1C=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S |t:5|

BDBM50452400

CC(C)C1C(=S)Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]1[O-] |c:22|

BDBM50452401

Clc1ccc2NC(=S)COC(c3ccccc3)c2c1

BDBM50452402

Clc1ccc2NC(=S)CC(=Nc2c1)c1ccccc1 |c:9|

BDBM50452403

Clc1ccc2NC(=S)Cc3ccccc3-c2c1

BDBM50452404

CC(C)[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2NC1=S |r,t:4|

BDBM50452405

CC(C)[C@@H]1N=C(C2CCCCC2)c2cc(Cl)ccc2NC1=S |r,t:4|

BDBM50452406

CC(C)[C@@H]1N=C(c2ccc(cc2)C(F)(F)F)c2cc(Cl)ccc2NC1=S |r,t:4|

BDBM50452407

CC(C)C[C@@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=S |r,t:5|

BDBM50452408

CC(C)C1N=C(c2ccccc2)c2cc(C)ccc2NC1=S |t:4|

BDBM50452409

CC(C)[C@@H]1N=C(c2ccccc2)c2cc(OC(F)(F)F)ccc2NC1=S |r,t:4|

BDBM50452410

CC1N=C(c2ccccc2)c2ccccc2NC1=S |t:2|

BDBM50452411

CC(C)[C@@H]1N=C(c2ccccc2)c2cc(ccc2NC1=S)-c1ccccc1 |r,t:4|

BDBM50452412

CC1N=C(c2ccccc2)c2cc(ccc2NC1=S)C(C)=O |t:2|

BDBM50452413

CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(C)C1=S |r,t:4|

BDBM50452414

Fc1ccccc1C1=N[C@@H](c2ccccc2)C(=S)Nc2ccc(Cl)cc12 |r,t:8|

BDBM50452415

CC(C)[C@@H]1N=C(c2ccccc2)c2ccc(Cl)cc2NC1=S |r,t:4|

BDBM50452416

Fc1ccccc1C1=NCC(=S)Nc2ccc(I)cc12 |t:8|

BDBM50452417

CC(C)[C@H]1N=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S |r,t:4|

BDBM50452419

CCC[C@]1(C)N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:5|

BDBM50452420

CCC1CN(c2ccccc2)c2cc(Cl)ccc2NC1=S

BDBM50452421

CC(C)[C@@H]1N=C(c2cccc(Cl)c2)c2cc(Cl)ccc2NC1=S |r,t:4|

BDBM50452422

CCCC1=N[C@@H](C(C)C)C(=S)Nc2ccc(Cl)cc12 |r,t:3|

BDBM50452423

CC(C)[C@@H]1N=C(c2ccccc2)c2cc(ccc2NC1=S)C(F)(F)F |r,t:4|

BDBM50452424

COc1ccc2NC(=S)[C@@H](N=C(c3ccccc3)c2c1)C(C)C |r,t:10|

BDBM50452425

CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O |r,t:4|

BDBM50452426

SC1=Nc2ccc(Cl)cc2C(=NC1)c1ccccc1 |c:11,t:1|

BDBM50452427

C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:2|

BDBM50452428

Fc1ccccc1C1=N[C@@H](C2CC2)C(=S)Nc2ccc(Cl)cc12 |r,t:8|

BDBM50452437

CC(C)C1C(=S)Nc2ccc(Cl)cc2N(c2ccccc2)C1=O

BDBM50452438

CC(C)[C@@H]1N=C(N2CCCCC2)c2cc(Cl)ccc2NC1=S |r,t:4|

BDBM50452440

CC1N=C(c2ccccc2)c2cc(ccc2NC1=S)C#N |t:2|

BDBM50452441

Cc1ccc2NC(=S)CN=C(c3ccccc3)c2c1 |t:9|

BDBM50452442

CC[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:3|

BDBM50452443

CC(C)C[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:5|

BDBM50452444

COC(C)C1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |t:5|

BDBM50452445

[#6]\[#6](-[#6])=[#6]-1/[#7]=[#6](-c2ccccc2)-c2cc(Cl)ccc2-[#7]-[#6]-1=S |t:4|

BDBM50452446

Fc1ccccc1C1=CCC(=S)Nc2ccc(Cl)cc12 |t:8|

BDBM50452447

FC(F)(F)c1ccc2NC(=S)CN=C(c3ccccc3)c2c1 |t:12|

BDBM50452448

Fc1ccccc1C1=NCC(=S)Nc2ccc(Cl)cc12 |t:8|

BDBM50165008

CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C

BDBM50374004

CC(C)N(CCC(c1ccccc1)c1cc(CCNC(=O)CCCCCNC(=O)COc2ccc([CH+]\C=c3/ccc4=Cc5ccc(-c6cccs6)n5[B-](F)(F)n34)cc2)ccc1O)C(C)C |t:41|

BDBM50458441

COc1ccc(Cn2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccc(OC)cc34)c(=O)c3ccccc23)cc1

BDBM8987

Nc1c2CCCCc2nc2cc(Cl)ccc12

BDBM50458455

COc1ccc(Cn2cc(C(=O)NCCCNc3c4CCCCc4nc4ccc(OC)cc34)c(=O)c3ccccc23)cc1

BDBM50458454

COc1ccc(Cn2cc(C(=O)NCCCCNc3c4CCCCc4nc4ccc(OC)cc34)c(=O)c3ccccc23)cc1

BDBM50458456

COc1ccc(Cn2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4ccc(OC)cc34)c(=O)c3ccccc23)cc1

BDBM50458451

COc1ccc(Cn2cc(C(=O)NCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1

BDBM50458446

COc1ccc(Cn2cc(C(=O)NCCCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1

BDBM50458449

COc1ccc(Cn2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1

BDBM50458442

COc1ccc(Cn2cc(C(=O)NCCCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1

BDBM50458448

COc1ccc(Cn2cc(C(=O)NCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1

BDBM50458457

COc1ccc(Cn2cc(C(=O)NCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1

BDBM50458445

COc1ccc(Cn2cc(C(=O)NCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1

BDBM50458459

COc1ccc(Cn2cc(C(=O)NCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1

BDBM50458461

COc1ccc(Cn2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1

BDBM50458453

COc1ccc(Cn2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4ccc(OC)cc34)c(=O)c3ccccc23)cc1

BDBM50458458

COc1ccc(Cn2cc(C(=O)NCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1

BDBM50458460

COc1ccc(Cn2cc(C(=O)NCCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1

BDBM50327939

COc1ccc2nc3CCCCc3c(N)c2c1

BDBM50458443

COc1ccc(Cn2cc(C(=O)NCCNc3c4CCCCc4nc4ccc(OC)cc34)c(=O)c3ccccc23)cc1

BDBM50458452

COc1ccc(Cn2cc(C(=O)NCCCCCCCCNc3c4CCCCc4nc4ccc(OC)cc34)c(=O)c3ccccc23)cc1

BDBM50458450

COc1ccc(Cn2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)c3ccccc23)cc1

BDBM50458444

COc1ccc(Cn2cc(C(=O)NCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1

BDBM50458447

COc1ccc(Cn2cc(C(=O)NCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1

BDBM50460765

Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@@H]3CCCC[C@H]3O)c3c(F)cc(F)cc23)cn1 |r|

BDBM50023648

CN1CCC(CC1)NC(=O)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50023649

CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3cccnc23)CC1

BDBM50023650

CN1CCC(CC1)OC(=O)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50023653

CN1CCCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)C1

BDBM50023651

CN(C)CCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50023655

CN1CCCCC1CC(=O)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50021847

CN1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50023656

CN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50023659

CN(C)CCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50021850

CN(C)CCC(=O)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50023660

CN1CCN(CCC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50023654

CN1CCN(CC(=O)N2c3cscc3C(=O)Nc3ccccc23)CC1

BDBM50023658

CN1CCCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50023652

CN1CCN(CC1)NC(=O)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50023661

CN(C)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50023657

CN1CCN(CC1)C(=O)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50023662

CN1CCC(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)C1

BDBM50461816

OCc1cnc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|

BDBM50461817

Cc1cnc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC(O)[C@@H]1O |r|

BDBM50461818

Cc1cnc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CC(O)OC[C@@H]1O |r|

BDBM50461819

Cc1cnc(cc1C(O)c1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|

BDBM50461820

Cc1cnc(cc1C(O)c1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|

BDBM50461821

Cc1c(Cc2ccc(cc2)-n2cccn2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C |r|

BDBM50461822

Cn1c(CO)c(Cc2ccc(cc2)-n2cccn2)cc(C(=O)N[C@H]2CCC(O)C[C@@H]2O)c1=O |r|

BDBM50135190

O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12 |r|

BDBM50461823

OC1CC[C@H](NC(=O)c2cn(Cc3ccc(cc3)-n3cccn3)c3cccnc23)[C@@H](O)C1 |r|

BDBM50135218

O[C@H]1COCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-c2cc[nH]n2)c2cccnc12 |r|

BDBM50461824

Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CC(O)OC[C@@H]3O)c3ncccc23)cc1 |r|

BDBM50135215

Cc1ccc2n(Cc3ccc(cc3)-c3ccn(C)n3)cc(C(=O)N[C@H]3CCOC[C@@H]3O)c2n1 |r|

BDBM50461825

Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3nc(CO)ccc23)cc1 |r|

BDBM50461826

O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)[N+]2([O-])C=CC=N2)c2cccnc12 |r,c:24,26|

BDBM50461827

Cc1c(Cc2ccc(cc2)-n2cccn2)cc(C(=O)N[C@H]2CCC(O)C[C@@H]2O)c(=O)n1C |r|

BDBM50461828

Cc1cnc(cc1Cc1ccc(cc1)-c1cscn1)C(=O)N[C@H]1CCOC(O)[C@@H]1O |r|

BDBM50461829

Cc1[nH]c(=O)c(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CC(O)CC[C@@H]1O |r|

BDBM50461830

Cc1cnc(cc1Cc1ccc(cc1)-n1cc(O)cn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|

BDBM50461831

Cc1cnc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@@H](CCO)[C@@H](O)CO |r|

BDBM50461832

Cn1c(CO)c(Cc2ccc(cc2)-n2cccn2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c1=O |r|

BDBM50461833

OC1CC[C@H](O)[C@H](C1)NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12 |r|

BDBM50461834

Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC(O)[C@@H]3O)c3ncccc23)cc1 |r|

BDBM50461835

Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3nc(C=O)ccc23)cc1 |r|

BDBM50461836

OC1CCC[C@H](O)[C@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12 |r|

BDBM50464172

Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CCOCC2)cc1

BDBM50464173

Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CCOC(C)(C)C2)cn1

BDBM50464174

Cc1nc(co1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CCOCC2)cc1

BDBM50464175

Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)N[C@@H]2CCOC[C@H]2O)cn1 |r|

BDBM50464176

Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC[C@@H]2CCCO2)cn1 |r|

BDBM50464177

Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CCOCC2)cn1

BDBM50464178

Cn1ccc2c(Cc3ccc(cc3)-n3cccn3)cc(nc12)C(=O)NC1CCOCC1

BDBM50464179

Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)N[C@@H]2CCCC[C@H]2O)cc1 |r|

BDBM50464171

Cn1cc(cn1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CCOCC2)cn1

BDBM50464180

Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)N[C@@H]2CCCC[C@H]2O)cn1 |r|

BDBM50464181

Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NCC2CCOCC2)cn1

BDBM50464182

Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CC3(COC3)C2)cn1

BDBM50464183

Cn1ccc2c(Cc3ccc(cc3)-c3cscn3)cc(nc12)C(=O)NC1CCOCC1

BDBM50464184

Cn1ccc2c(Cc3ccc(cc3)-c3nccs3)cc(nc12)C(=O)N[C@@H]1CCOC[C@H]1O |r|

BDBM50464185

Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)NC2CC3(COC3)C2)cc1

BDBM50464186

Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)N[C@@H]2CCC[C@H]2O)cn1 |r|

BDBM50464187

Cn1ccc2c(Cc3ccc(cc3)-c3nccs3)cc(nc12)C(=O)NC1CCOCC1

BDBM50464188

Cn1ccc2c(Cc3ccc(cc3)-c3nccs3)cc(nc12)C(=O)N[C@@H]1CCCC[C@H]1O |r|

BDBM50464189

Cn1cc(cn1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)N[C@@H]2CCCC[C@H]2O)cn1 |r|

BDBM50464190

Cn1ccc(n1)-c1ccc(Cc2cc(nc3n(C)ccc23)C(=O)N[C@@H]2CCOC[C@H]2O)cc1 |r|

BDBM50465935

Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 |(29.98,-5.28,;29.99,-6.82,;28.67,-7.59,;28.68,-9.13,;27.35,-9.9,;27.36,-11.44,;28.69,-12.2,;28.7,-13.75,;27.36,-14.52,;26.03,-13.75,;24.57,-14.23,;23.66,-13,;24.55,-11.74,;26.02,-12.21,;30.02,-9.9,;31.35,-9.12,;31.34,-7.58,;32.66,-6.8,;34,-7.57,;34.01,-9.11,;35.33,-6.79,;35.32,-5.25,;33.97,-4.49,;33.64,-2.99,;32.12,-2.84,;31.5,-4.24,;32.64,-5.27,)|

BDBM50469504

Fc1ccc2c(noc2c1)C1CCN(CCCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1

BDBM79215

COc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2C)-c2noc(C)n2)cc1N1CCN(C)CC1

BDBM50471756

CC#CCCON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|

BDBM50471759

CN1C2CCC1CC(C2)=NOCC#C |THB:9:7:1:3.4|

BDBM50471761

[#6]-[#6]-[#6](-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)C#C

BDBM50471764

CON=C1CC2CCC(C1)N2C |TLB:2:3:10:6.7|

BDBM50471766

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-[#6]C#C

BDBM50471770

[#6]C#C[#6]-[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1

BDBM50471769

CC(CC#C)ON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|

BDBM50471771

CN1CCC(CC1)=NO

BDBM50471765

CON=C1CCN(C)CC1

BDBM50471760

CN1C2CCC1CC(C2)=NOCCC#C |THB:9:7:1:3.4|

BDBM50403547

CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)c1ccccc1 |r,THB:9:7:1:3.4|

BDBM50471774

CN1C2CCC1CC(C2)=NOCCCC#C |THB:9:7:1:3.4|

BDBM50471758

[#6]-[#6]C#C[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1

BDBM50471762

CN1C2CCC1CC(C2)=NO |THB:9:7:1:3.4|

BDBM50471777

[#6]-[#6](-[#6]C#C)-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1

BDBM50471775

CCC#CCON=C1CC2CCC(C1)N2C |TLB:6:7:14:10.11|

BDBM50471757

[#6]C#C[#6]-[#8]\[#7]=[#6]-1\[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1

BDBM50471767

CC(ON=C1CC2CCC(C1)N2C)C#C |TLB:3:4:11:7.8|

BDBM50471772

[#6]-[#6](-[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-1)C#C

BDBM50471776

CC#CCON=C1CC2CCC(C1)N2C |TLB:5:6:13:9.10|

BDBM50471773

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]C#C

BDBM50471768

[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#7]\[#8]-[#6]-[#6]-[#6]C#C

BDBM50471763

CCC(ON=C1CC2CCC(C1)N2C)C#C |TLB:4:5:12:8.9|

BDBM50473796

CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c12

BDBM50473802

COc1ccc2C3Oc4ccc5[nH]c(C)c(-c6nc(C)no6)c5c4CN3CCc2c1

BDBM50473803

CCN(C)C(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

BDBM50473804

CCCCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

BDBM50473805

CCOC(=O)c1c(C)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

BDBM50473807

CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(OC)ccc5C4Oc3ccc2n1C

BDBM50473811

CCOC(=O)c1c(CC)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

BDBM50473800

COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCc6ccccc6)c5c4CN3CCc2c1

BDBM50473810

CCCc1c(C(=O)OCC)c2c3CN4CCc5cc(SC)ccc5C4Oc3ccc2n1C

BDBM50473806

CCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC

BDBM50473815

CCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC

BDBM50473816

CCOC(=O)c1c(CC)n(Cc2ccccc2)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

BDBM50473801

CCOC(=O)c1c(C)n(CC)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

BDBM50071171

CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

BDBM50473817

CCCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC

BDBM50426284

CCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC

BDBM50473809

CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(O)ccc45)Cc3c12

BDBM50473812

CCCCCCc1[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c2c1C(=O)OCC

BDBM50473799

COc1ccc(Cn2c(C)c(C(=O)OCC=C)c3c4CN5CCc6cc(OC)ccc6C5Oc4ccc23)cc1

BDBM50473797

CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Cl)ccc45)Cc3c12

BDBM50473795

COC(=O)c1c(C)n(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

BDBM50473813

COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OCC=C)c5c4CN3CCc2c1

BDBM50473808

CCCCc1[nH]c2ccc3OC4N(CCc5cc(SC)ccc45)Cc3c2c1C(=O)OCC

BDBM50473814

COc1ccc2C3Oc4ccc5[nH]c(C)c(Cc6ccccc6)c5c4CN3CCc2c1

BDBM50473798

CCOC(=O)c1c(CC)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

BDBM50473794

CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cccc(Cl)c45)Cc3c12

BDBM50474497

CN(C)CCC1=C(C(c2ccccc2)c2ccccn2)c2ccccc2C1 |c:5|

BDBM50474494

CN(C)CCNC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 |c:8|

BDBM50474503

CC(C1=C(CCN(C)C)Cc2ccc(C)cc12)c1ccccn1 |c:2|

BDBM50474500

CC(C1=C(CCN2CCOCC2)Cc2ccccc12)c1ccccn1 |c:2|

BDBM50474510

CSc1ccc2CC(CCN(C)C)=C(C(C)c3ccccn3)c2c1 |t:12|

BDBM50474488

CC(C1=C(CCN(C)C)Cc2ccc(F)cc12)c1ccccn1 |c:2|

BDBM50474492

CC(C)N(CCC1=C(C(C)c2ccccn2)c2ccccc2C1)C(C)C |c:6|

BDBM50474502

COc1ccc2CC(CCN(C)C)=C(C(C)c3ccccn3)c2c1 |t:12|

BDBM50474495

CN(C)CCNC(=O)C1=C(Cc2ccncc2)c2ccccc2C1 |c:8|

BDBM50474512

CN(C)CCNC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 |c:8|

BDBM50474507

CN(C)CCC1=C(Cc2cccnc2)c2ccccc2C1 |c:5|

BDBM50474513

CN(C)CCOC(=O)C1=C(Cc2ccccn2)c2ccccc2C1 |c:8|

BDBM50474514

CC(C)N(C)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 |c:7|

BDBM50474499

CCCC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:4|

BDBM50474511

COc1ccc2C(C(C)c3ccccn3)=C(CCN(C)C)Cc2c1 |t:15|

BDBM50474515

CC(C1=C(CCN2CCCC2)Cc2ccccc12)c1ccccn1 |c:2|

BDBM50474509

CN(C)CCOC(=O)C1=C(Cc2cccnc2)c2ccccc2C1 |c:8|

BDBM50297307

C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |r,c:2|

BDBM50474487

CN(C)CCC1=C(Cc2ccncc2)c2ccccc2C1 |c:5|

BDBM50474491

CC(C1=C(CCN(C)C)Cc2ccc(Cl)cc12)c1ccccn1 |c:2|

BDBM50474508

CC(C1=C(CCN(C)C)Cc2cc(C)ccc12)c1ccccn1 |c:2|

BDBM50474516

CC(C1=C(CN(C)C)Cc2ccccc12)c1ccccn1 |c:2|

BDBM50474486

CCC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:3|

BDBM50474501

CC(C1=C(CCN2CCCCC2)Cc2ccccc12)c1ccccn1 |c:2|

BDBM50474485

C[C@@H](C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|

BDBM50474517

CC(C1=C(CCCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|

BDBM50474504

CCC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:3|

BDBM50474493

CN(C)CCC1=C(Cc2ccccn2)c2ccccc2C1 |c:5|

BDBM50474505

CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccc1 |c:2|

BDBM50474496

CC(C1=C(CCN(C)CCF)Cc2ccccc12)c1ccccn1 |c:2|

BDBM50474498

CCN(CC)CCC1=C(C(C)c2ccccn2)c2ccccc2C1 |c:7|

BDBM50474490

CC(C)N(C)CC1=C(C(C)c2ccccn2)c2ccccc2C1 |c:6|

BDBM50474489

CN(C)CCC1=C(c2ccccc2C1)C(C)(C)c1ccccn1 |t:5|

BDBM50474506

CC(C1=C(CCN(C)C)Cc2cc(Cl)ccc12)c1ccccn1 |c:2|

BDBM50475673

[H][C@]1(C[S@+]([O-])[C@H](C)O1)[C@@]1([H])CCC[N+]1(C)C

BDBM50475675

C[N+](C)(C)CC#CCOC(=O)Nc1ccc(Cl)cc1

BDBM50475680

CN1CCC=C(C1)C(=O)OCC#C |c:4|

BDBM50475681

[H][C@]1(C[S@+]([O-])[C@H](C)O1)[C@@]1([H])CCCN1C |r|

BDBM50475686

[H][C@@]1(C[S@@+]([O-])[C@@H](C)O1)[C@@]1([H])CCCN1C |r|

BDBM50475678

[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C

BDBM50475684

[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@]1([H])CCCN1C |r|

BDBM50475679

[H][C@@]1(C[S@@+]([O-])[C@@H](C)O1)[C@]1([H])CCC[N+]1(C)C

BDBM50475685

[H][C@@]1(C[S@@+]([O-])[C@@H](C)O1)[C@]1([H])CCCN1C |r|

BDBM50475677

[H][C@]1(C[S@+]([O-])[C@H](C)O1)[C@]1([H])CCCN1C |r|

BDBM50475683

[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@@]1([H])CCC[N+]1(C)C

BDBM50475676

[H][C@]1(C[S@+]([O-])[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C

BDBM50475674

[H][C@]1(C[S@@+]([O-])[C@H](C)O1)[C@@]1([H])CCCN1C |r|

BDBM50475682

[H][C@@]1(C[S@+]([O-])[C@@H](C)O1)[C@@]1([H])CCCN1C |r|

BDBM50475688

[H][C@@]1(C[S@+]([O-])[C@@H](C)O1)[C@]1([H])CCCN1C |r|

BDBM50475687

[H][C@@]1(C[S@+]([O-])[C@@H](C)O1)[C@]1([H])CCC[N+]1(C)C

BDBM50385682

C[C@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|

BDBM50003014

[I-].CC1COCC(C[N+](C)(C)C)O1

BDBM50003015

[I-].C[C@@H]1COC[C@H](C[N+](C)(C)C)O1

BDBM50092973

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OC(C)C

BDBM50092959

CCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1

BDBM50092961

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)C(C)C

BDBM50092966

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)Cc1ccccc1

BDBM50092965

CCCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1

BDBM50092964

COC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1

BDBM50092975

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)Cc1ccccc1

BDBM50092971

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C(C)C

BDBM50092957

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCNCC1

BDBM50092963

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCc1ccccc1

BDBM50092960

CCCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1

BDBM50092968

CCCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1

BDBM50092967

CCC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1

BDBM50092962

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)OCC(C)C

BDBM50092970

CCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1

BDBM50092958

CCCS(=O)(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1

BDBM50092972

CCCOC(=O)N1CCC(CC1)N1CCC(CC1)C(=C)c1ccc(cc1)S(=O)(=O)c1ccc(OC)cc1

BDBM50092974

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1

BDBM50092969

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCN(CC1)C(=O)C1CC1

BDBM50001884

CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cccc4)Cl

BDBM35254

CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|

BDBM50229368

Cc1nccn1CC#CCN1CCCC1=O

BDBM50066079

CO\N=C\C1=CCCN(C)C1 |t:4|

BDBM50478145

[H][C@@]1(CS[C@@H](C)O1)[C@@]1([H])CCC[N+]1(C)C

BDBM50478146

[H][C@@]1(CS[C@@H](C)O1)[C@]1([H])CCC[N+]1(C)C

BDBM50478147

[H][C@]1(CO[C@H](C)O1)[C@@]1([H])CCC[N+]1(C)C

BDBM50478148

[H][C@@]1(C[N+](C)(C)C)CS[C@]([H])(C)O1

BDBM50064612

CN1C2CC(OC(C)=O)C1CCC2 |THB:5:4:1:10.12.11|

BDBM50478150

[H][C@]1(CS[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C

BDBM50064609

CC(=O)OC1CC2CCCC1N2 |TLB:3:4:11:9.8.7|

BDBM50478151

[H][C@]1(CS[C@H](C)O1)[C@@]1([H])CCC[N+]1(C)C

BDBM50061705

CO\N=C(/C#N)[C@H]1CN2CCC1CC2 |wU:6.5,(10.77,-7.56,;9.23,-7.56,;8.14,-8.66,;8.14,-10.2,;9.41,-10.96,;10.69,-11.69,;6.8,-10.98,;6.8,-12.53,;5.46,-13.28,;4.14,-12.53,;4.14,-10.98,;5.46,-10.2,;4.95,-11.51,;5.89,-12.1,)|

BDBM50478152

[H][C@]1(CO[C@H](C)O1)[C@]1([H])CCC[N+]1(C)C

BDBM50478149

C[C@@H]1O[C@@H](C[S+]1[O-])[C@@H]1CCC[N+]1(C)C |r|

BDBM22985

CCN(CC)CCC[C@@H](C)Nc1ccnc2c1ccc(c2)Cl

BDBM50253157

CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 |r|

BDBM50048866

COc1cccc2C(CCCN3CCN(CC3)C3CCCCC3)CCCc12

BDBM50251208

CCCN1CCC=C(C1)c1cc(no1)-c1ccc(C)cc1 |c:6|

BDBM50467780

CCN(CCO)CCCC(C)Nc1ccnc2cc(Cl)ccc12

BDBM50483172

COC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1

BDBM50483176

OC(=O)CCCCCN1CCC(CNC(=O)c2c3OCCCn3c3ccccc23)CC1

BDBM50441363

[#6](\[#6]=[#6](\c1ccccc1)-c1ccccc1)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1

C#CCOc1noc2CCCNCc12

CCOc1noc2CCCNCc12

CC(C)Oc1noc2CCCNCc12

COc1noc2CCCNCc12

CCN(CC)CCOC(=O)C(C)(c1ccccc1)c1ccc(O)cc1

BDBM50491120

C[N+](C)(C)CCOC(=O)C(c1ccccc1)c1ccccc1

BDBM50491121

CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1

BDBM50491125

CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1

BDBM50491126

COc1cc(Br)cc(c1)C1Nc2c(c(C)nn2C)C(=O)CS1

BDBM50491124

CCN(CC)CCOC(=O)C(O)(C1CCCCC1)c1cccs1

BDBM50491123

CCN(CC)CCOC(=O)C(c1ccccc1)C1(O)CCCCC1

BDBM50491119

CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1

BDBM50491127

CC[N+](CC)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1

BDBM50491128

CC[C@H](C)C(C(=O)OCCCN(CC)CC)c1ccccc1 |r|

BDBM50491130

[#6]-[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#16]-[#6](-[#6](=O)-[#8]-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccccc1

BDBM50491131

CCN(CC)CCOC(=O)C(N1CCCCC1)c1ccccc1

BDBM50491133

CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1

BDBM50491132

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

BDBM50491122

CCN(CC)CCOC(=O)C(CC)(c1ccccc1)c1ccccc1

BDBM50491118

CCN(CC)CCOC(=O)C(O)(c1ccccc1)c1c(C)cccc1C

BDBM50036176

C[N+]12CCC(CC1)C(C2)C1Cc2ccccc2O1

BDBM50036175

C1C(Oc2ccccc12)C1CN2CCC1CC2 |(11.53,-10.54,;11.06,-12,;12.31,-12.92,;13.55,-12,;15.05,-12.32,;16.1,-11.2,;15.62,-9.72,;14.12,-9.4,;13.08,-10.54,;9.56,-12.42,;9.56,-13.97,;8.22,-14.62,;7.61,-13.36,;8.54,-12.89,;8.22,-11.62,;6.9,-12.42,;6.9,-13.97,)|

BDBM50036189

C1COC(C1)C1CN2CCC1CC2 |(14.29,-9.92,;14.75,-11.39,;13.51,-12.3,;12.27,-11.39,;12.74,-9.92,;10.78,-11.79,;10.78,-13.33,;9.44,-13.98,;8.83,-12.72,;9.77,-12.25,;9.45,-11.02,;8.13,-11.79,;8.13,-13.33,)|

BDBM50036165

C1CN2CCC1C(=C2)c1ccsc1 |c:7,(21.51,-6.35,;20.56,-6.82,;21.19,-8.08,;19.86,-7.43,;19.86,-5.89,;21.19,-5.11,;22.52,-5.89,;22.52,-7.43,;24.01,-5.48,;24.48,-4.02,;26.02,-4.02,;26.49,-5.49,;25.25,-6.39,)|

BDBM50036163

C[N+]12CCC(CC1)C(=C2)c1cc2ccccc2o1 |c:8|

BDBM50036167

OC1(CN2CCC1CC2)c1nc2ccccc2s1 |(2.9,-13.97,;2.91,-15.51,;2.91,-17.05,;1.57,-17.71,;.24,-17.05,;.24,-15.51,;1.57,-14.74,;1.88,-15.98,;.94,-16.45,;4.38,-15.11,;4.87,-13.64,;6.42,-13.64,;7.44,-12.52,;8.93,-12.82,;9.41,-14.3,;8.38,-15.44,;6.88,-15.11,;5.64,-16.03,)|

BDBM50036173

C1CN2CCC1C(=C2)c1csc2ccccc12 |c:7,(9.64,-13.75,;8.71,-14.22,;9.33,-15.48,;8.01,-14.82,;8.01,-13.28,;9.33,-12.51,;10.66,-13.28,;10.66,-14.82,;12,-12.51,;13.23,-13.45,;14.49,-12.56,;14.05,-11.09,;14.84,-9.78,;14.09,-8.43,;12.55,-8.41,;11.77,-9.71,;12.51,-11.06,)|

BDBM50036179

C1CN2CCC1C(=C2)c1ccccn1 |c:7,(-6.91,-10.64,;-7.86,-11.11,;-7.24,-12.38,;-8.56,-11.72,;-8.56,-10.17,;-7.22,-9.38,;-5.88,-10.17,;-5.88,-11.72,;-4.4,-9.76,;-3.72,-8.38,;-2.18,-8.28,;-1.31,-9.57,;-2,-10.94,;-3.54,-11.05,)|

BDBM50036178

COc1ccccc1C1(O)CN2CCC1CC2 |(3,-17.89,;4.55,-17.8,;5.23,-16.42,;6.77,-16.32,;7.45,-14.94,;6.6,-13.66,;5.06,-13.75,;4.39,-15.13,;2.91,-15.53,;2.9,-13.98,;2.91,-17.07,;1.57,-17.73,;.24,-17.07,;.24,-15.53,;1.58,-14.76,;1.88,-16,;.94,-16.46,)|

BDBM50036170

C1CN2CCC1C(=C2)c1nc2ccccc2s1 |c:7,(-2.89,-19.08,;-3.82,-19.55,;-3.21,-20.81,;-4.53,-20.16,;-4.53,-18.61,;-3.21,-17.82,;-1.87,-18.61,;-1.87,-20.16,;-.38,-18.19,;.1,-16.73,;1.65,-16.73,;2.68,-15.59,;4.18,-15.91,;4.67,-17.39,;3.62,-18.52,;2.12,-18.19,;.88,-19.11,)|

BDBM50036174

OC1(CN2CCC1CC2)c1cccnc1 |(2.9,-13.98,;2.91,-15.53,;2.91,-17.07,;1.57,-17.73,;.94,-16.46,;1.88,-16,;1.58,-14.76,;.24,-15.53,;.24,-17.07,;4.39,-15.13,;5.06,-13.75,;6.6,-13.66,;7.45,-14.94,;6.77,-16.32,;5.23,-16.42,)|

BDBM50036172

OC1(CN2CCC1CC2)c1ccsc1 |(9.99,-3.65,;9.99,-5.19,;9.99,-6.73,;8.66,-7.38,;8.03,-6.12,;8.97,-5.65,;8.66,-4.41,;7.33,-5.19,;7.33,-6.73,;11.46,-4.78,;11.95,-3.32,;13.49,-3.32,;13.96,-4.79,;12.72,-5.69,)|

BDBM50036169

C1CN2CCC1C(=C2)c1ccc[se]1 |c:7,(25.63,-.73,;24.69,-1.2,;25.31,-2.46,;23.99,-1.81,;23.99,-.26,;25.31,.51,;26.64,-.26,;26.64,-1.81,;28.12,.14,;28.6,1.6,;30.14,1.6,;30.61,.13,;29.37,-.77,)|

BDBM50036180

OC1(CN2CCC1CC2)c1cc2ccccc2s1 |(2.9,-13.97,;2.91,-15.51,;2.91,-17.05,;1.57,-17.71,;.24,-17.05,;.24,-15.51,;1.57,-14.74,;1.88,-15.98,;.94,-16.45,;4.38,-15.11,;4.87,-13.64,;6.41,-13.64,;7.44,-12.52,;8.93,-12.82,;9.41,-14.29,;8.38,-15.44,;6.88,-15.11,;5.63,-16.02,)|

BDBM50036185

C1CN2CCC1C(=C2)c1cc2ccccc2o1 |c:7,(3.93,-23.86,;3.93,-25.41,;5.26,-26.18,;6.02,-24.84,;4.53,-24.44,;5.26,-23.08,;6.61,-23.86,;6.61,-25.41,;7.94,-23.09,;9.34,-23.71,;10.37,-22.57,;11.9,-22.57,;12.67,-21.25,;11.9,-19.91,;10.37,-19.91,;9.61,-21.23,;8.1,-21.55,)|

BDBM50036190

C1CN2CCC1C(=C2)c1nc2ccccc2o1 |c:7,(-6.76,-24.05,;-7.7,-24.52,;-7.08,-25.79,;-8.4,-25.13,;-8.4,-23.58,;-7.08,-22.79,;-5.74,-23.58,;-5.74,-25.13,;-4.25,-23.17,;-3.77,-21.71,;-2.22,-21.71,;-1.19,-20.56,;.31,-20.88,;.8,-22.36,;-.25,-23.5,;-1.75,-23.17,;-3,-24.08,)|

BDBM50036171

C1CN2CCC1C(C2)c1cc2ccccc2o1 |(14.72,-24.47,;13.78,-24.93,;14.4,-26.2,;13.08,-25.54,;13.08,-24,;14.4,-23.2,;15.74,-24,;15.74,-25.54,;17.23,-23.59,;17.7,-22.12,;19.25,-22.12,;20.28,-20.99,;21.77,-21.31,;22.26,-22.78,;21.21,-23.9,;19.71,-23.59,;18.47,-24.5,)|

BDBM50036166

C1CN2CCC1C(=C2)c1cccnc1 |c:7,THB:8:6:4.3:0.1,(-3.23,-2.16,;-4,-3.38,;-2.35,-2.5,;-2.35,-1.13,;-1.52,-.29,;-1.51,-1.39,;.03,-2.32,;-.76,-3.46,;1.54,-2,;2.57,-3.14,;4.08,-2.83,;4.56,-1.36,;3.52,-.21,;2.01,-.52,)|

BDBM50036188

C[N+]12CCC(CC1)C(O)(C2)c1cc2ccccc2o1

BDBM50036183

C1CN2CCC1C(=C2)c1cc2ccccc2s1 |c:7,(17.86,-23.53,;17.86,-25.08,;19.19,-25.85,;19.95,-24.52,;18.46,-24.12,;19.19,-22.75,;20.54,-23.53,;20.54,-25.08,;21.87,-22.76,;23.27,-23.39,;24.3,-22.24,;25.83,-22.25,;26.6,-20.92,;25.83,-19.59,;24.3,-19.59,;23.54,-20.91,;22.03,-21.23,)|

BDBM50036168

OC1(CN2CCC1CC2)c1ccccn1 |(2.9,-13.98,;2.91,-15.53,;2.91,-17.07,;1.57,-17.73,;.24,-17.07,;.24,-15.53,;1.58,-14.76,;1.88,-16,;.94,-16.46,;4.39,-15.13,;5.06,-13.75,;6.6,-13.66,;7.45,-14.94,;6.77,-16.32,;5.23,-16.42,)|

BDBM50036191

C1CN2CCC1C(C2)c1ccco1 |(-6.04,-3.11,;-6.04,-4.67,;-4.73,-5.45,;-4.12,-4.17,;-5.13,-3.83,;-4.73,-2.35,;-3.38,-3.11,;-3.38,-4.67,;-2.06,-2.33,;-1.37,-.95,;.19,-1.19,;.42,-2.7,;-.96,-3.42,)|

BDBM50036193

COc1ccccc1C1=CN2CCC1CC2 |t:9,(8.93,-5.49,;10.47,-5.39,;11.15,-4.01,;12.7,-3.91,;13.37,-2.54,;12.52,-1.25,;10.99,-1.34,;10.31,-2.72,;8.83,-3.12,;8.83,-4.67,;7.49,-5.32,;6.87,-4.06,;7.8,-3.59,;7.5,-2.35,;6.16,-3.12,;6.16,-4.67,)|

BDBM50036164

OC1(CN2CCC1CC2)c1nc2ccccc2o1 |(2.9,-13.97,;2.91,-15.51,;2.91,-17.05,;1.57,-17.71,;.24,-17.05,;.24,-15.51,;1.57,-14.74,;1.88,-15.98,;.94,-16.45,;4.38,-15.11,;4.87,-13.64,;6.42,-13.64,;7.44,-12.52,;8.93,-12.82,;9.41,-14.3,;8.38,-15.44,;6.88,-15.11,;5.64,-16.03,)|

BDBM50036177

OC1(CN2CCC1CC2)c1cc2ccccc2o1 |(2.9,-13.97,;2.91,-15.51,;2.91,-17.05,;1.57,-17.71,;.24,-17.05,;.24,-15.51,;1.57,-14.74,;1.88,-15.98,;.94,-16.45,;4.38,-15.11,;4.87,-13.64,;6.41,-13.64,;7.44,-12.52,;8.93,-12.82,;9.41,-14.29,;8.38,-15.44,;6.88,-15.11,;5.63,-16.02,)|

BDBM50036181

C1CN2CCC1C(=C2)c1ccoc1 |c:7,(23.48,-7.58,;22.54,-8.05,;23.16,-9.31,;21.84,-8.66,;21.84,-7.12,;23.17,-6.34,;24.5,-7.12,;24.5,-8.66,;25.98,-6.72,;26.47,-5.25,;28.01,-5.25,;28.48,-6.72,;27.22,-7.63,)|

BDBM50036197

OC1(CN2CCC1CC2)c1ccco1 |(9.99,-3.65,;9.99,-5.19,;9.99,-6.73,;8.66,-7.38,;7.33,-6.73,;7.33,-5.19,;8.66,-4.41,;8.97,-5.65,;8.03,-6.12,;11.46,-4.78,;11.95,-3.32,;13.49,-3.32,;13.96,-4.79,;12.72,-5.69,)|

BDBM50036187

OC1(CN2CCC1CC2)c1ccoc1 |(9.99,-3.65,;9.99,-5.19,;9.99,-6.73,;8.66,-7.38,;8.03,-6.12,;8.97,-5.65,;8.66,-4.41,;7.33,-5.19,;7.33,-6.73,;11.46,-4.78,;11.95,-3.32,;13.49,-3.32,;13.96,-4.79,;12.72,-5.69,)|

BDBM50010096

OC(C(=O)OC1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |(5.41,-4.43,;4.65,-5.78,;6.2,-5.78,;6.97,-7.12,;6.97,-4.45,;8.52,-4.1,;8.52,-2.56,;9.86,-1.78,;11.19,-2.56,;11.19,-4.1,;9.86,-4.88,;9.09,-3.78,;9.09,-2.9,;3.1,-5.81,;2.36,-7.19,;.82,-7.2,;.01,-5.88,;.78,-4.52,;2.32,-4.49,;4.65,-7.23,;3.39,-7.96,;3.38,-9.41,;4.64,-10.15,;5.91,-9.42,;5.91,-7.97,)|

BDBM50036195

C1CN2CCC1C(=C2)c1coc2ccccc12 |c:7,(22.77,-5.83,;21.83,-6.3,;22.45,-7.56,;21.13,-6.9,;21.13,-5.36,;22.45,-4.58,;23.78,-5.36,;23.78,-6.9,;25.13,-4.59,;26.35,-5.52,;27.61,-4.64,;27.17,-3.16,;27.96,-1.85,;27.21,-.5,;25.67,-.48,;24.89,-1.78,;25.63,-3.13,)|

BDBM50036196

C1CN2CCC1C(=C2)c1ccco1 |c:7,(9.06,-7.61,;10.56,-8.02,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;11.13,-7.04,;11.13,-8.58,;12.46,-6.27,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,)|

BDBM50036182

C1CN2CCC1C(=C2)c1cccs1 |c:7,(9.06,-7.61,;10.56,-8.02,;9.8,-9.35,;8.45,-8.58,;8.45,-7.04,;9.8,-6.27,;11.13,-7.04,;11.13,-8.58,;12.46,-6.27,;12.62,-4.75,;14.1,-4.41,;14.9,-5.75,;13.87,-6.91,)|

BDBM50036186

OC1(CN2CCC1CC2)c1csc2ccccc12 |(2.9,-13.97,;2.91,-15.51,;2.91,-17.05,;1.57,-17.71,;.24,-17.05,;.24,-15.51,;1.57,-14.74,;1.88,-15.98,;.94,-16.45,;4.38,-15.11,;4.31,-16.66,;5.76,-17.19,;6.72,-15.98,;8.25,-15.88,;8.94,-14.5,;8.07,-13.22,;6.55,-13.33,;5.87,-14.69,)|

BDBM50036192

C[N+]12CCC(CC1)C(C2)c1cc2ccccc2o1

BDBM50036194

Oc1ccccc1C1=CN2CCC1CC2 |t:8,(10.48,-5.39,;11.15,-4.01,;12.7,-3.91,;13.38,-2.54,;12.53,-1.25,;10.99,-1.34,;10.31,-2.72,;8.84,-3.12,;8.84,-4.67,;7.49,-5.32,;6.87,-4.06,;7.81,-3.59,;7.5,-2.35,;6.17,-3.12,;6.17,-4.67,)|

BDBM50036184

OC1(CN2CCC1CC2)c1cccs1 |(9.99,-3.65,;9.99,-5.19,;9.99,-6.73,;8.66,-7.38,;7.33,-6.73,;7.33,-5.19,;8.66,-4.41,;8.97,-5.65,;8.03,-6.12,;11.46,-4.78,;11.95,-3.32,;13.49,-3.32,;13.96,-4.79,;12.72,-5.69,)|

BDBM50492269

COc1ccc(Cn2cc(C(O)=O)c(=O)c3c(F)ccc(F)c23)cc1

BDBM50038213

C=CCn1ncc(n1)C1CCCNC1

BDBM50038224

CCn1ncc(n1)C1=CCCN(C)C1 |t:8|

BDBM50038217

C#CCn1ncc(n1)C1CCCNC1

BDBM50038211

CCn1cc(nn1)C1=CCCN(C)C1 |t:8|

BDBM50038214

CCN1CCC=C(C1)c1nnn(CC)n1 |c:5|

BDBM50038212

CCN1C(=O)CC2(CCN(C)CC2)C1=O

BDBM50038219

CN1CCC=C(C1)c1cnn(C)n1 |c:4|

BDBM50038222

Cn1nnc(n1)C1CCCNC1

BDBM50038227

CCCCn1ncc(n1)C1=CCCN(C)C1 |t:10|

BDBM50038230

CC1CC=C(CN1)c1nnn(C)n1 |c:3|

BDBM50038234

Cn1ncc(n1)C1=CCCNC1 |t:7|

BDBM50038236

CN1CCC=C(C1)c1cnn(CC#C)n1 |c:4|

BDBM50038243

CCn1nnc(n1)C1CCCNC1

BDBM50038231

CCCCN1CCC=C(C1)c1nnn(CC)n1 |c:7|

BDBM50038226

CCn1nnc(n1)C1=CCCNC1 |t:8|

BDBM50038245

CCCCn1ncc(n1)C1=CCCNC1 |t:10|

BDBM50038218

CN1CCC=C(C1)c1nnn(C=C)n1 |c:4|

BDBM50038239

CCCCCCCCn1nnc(n1)C1=CCCN(C)C1 |t:14|

BDBM50038247

C#CCn1nnc(n1)C1CCCNC1

BDBM50038246

CCn1ncc(n1)C1CCCNC1

BDBM50038238

Cn1nnc(n1)C1=CCCNC1 |t:7|

BDBM50038240

CN1CCC=C(C1)c1nnnn1C |c:4|

BDBM50038220

CN1CCC=C(C1)c1cnn(CC=C)n1 |c:4|

BDBM50038249

CCCN1CCC=C(C1)c1nnn(CC)n1 |c:6|

BDBM50038221

CCCCCn1nnc(n1)C1=CCCN(C)C1 |t:11|

BDBM50038210

CCn1nnc(n1)C1=CCCN(C)C1 |t:8|

BDBM50038251

CC1CNCC(=C1)c1cnn(CC#C)n1 |c:5|

BDBM50038244

CN1CCC=C(C1)c1nnn(C)n1 |c:4|

BDBM50038225

CN1CCC=C(C1)c1nnn(CC#C)n1 |c:4|

BDBM50038233

CCn1nncc1C1=CCCN(C)C1 |t:8|

BDBM50038215

CCCCn1nnc(n1)C1=CCCN(C)C1 |t:10|

BDBM50038248

CCn1nnc(n1)C1=CCCN(C1)C(C)C |t:8|

BDBM50038223

CC(C)n1nnc(n1)C1=CCCN(C)C1 |t:9|

BDBM50038235

CCn1ncc(n1)C1=CCCNC1 |t:8|

BDBM50038252

CCCn1ncc(n1)C1=CCCNC1 |t:9|

BDBM50038253

CN1CCC=C(C1)c1cnn(C=C)n1 |c:4|

BDBM50038232

CCCn1ncc(n1)C1=CCCN(C)C1 |t:9|

BDBM50038241

CCCCCCn1nnc(n1)C1=CCCN(C)C1 |t:12|

BDBM50038250

CC1CNCC(=C1)c1nnn(C)n1 |c:5|

BDBM50038228

CC1=C(CNCC1)c1nnn(C)n1 |t:1|

BDBM50038229

CN1CCCC(C1)c1nnn(C)n1

BDBM50038216

CCCn1nnc(n1)C1=CCCN(C)C1 |t:9|

BDBM50038242

CN1CCC=C(C1)c1nnn(CC=C)n1 |c:4|

BDBM50038237

CCCCCCCn1nnc(n1)C1=CCCN(C)C1 |t:13|

BDBM50430330

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(OCCO3)c3ccccc23)c(F)c1

BDBM50430305

CN1CCC2(C1)C(=O)N(Cc1ccc(cc1F)-c1cnn(C)c1)c1ccccc21

BDBM85330

Cc1nccn1CC2CCc3c(c4ccccc4n3C)C2=O

BDBM50231569

Cc1nccn1C[C@H]1CCc2c(C1=O)c1cccc3CCCn2c13

BDBM50499311

CB1Nc2cccc(OCC(O)CN(C)C)c2C=C1 |c:18|

BDBM25761

CC(C)NC[C@@H](COc1cccc2c1cccc2)O

BDBM50499310

CB1Nc2c(OCC(O)CN(C)C)cccc2C=C1 |c:18|

BDBM50048580

CCCN(c1ccncc1)n1ccc2ccccc12

BDBM50048612

CN(c1ccncc1)n1cccc1C=C

BDBM50052180

COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1

BDBM50503043

CC[C@H]1c2cc(C)ccc2OC[C@@]1(C)N |r|

BDBM50503044

CC[C@H]1c2ccccc2N(C[C@@]1(C)N)c1ccccc1 |r|

BDBM50503049

[H][C@@]12CCN[C@]1(C)COc1cc(OC)cc(OC)c21 |r|

BDBM50503047

CC[C@H]1c2cc(OC)ccc2CC[C@@]1(C)N |r|

BDBM50503048

[H][C@@]12CCN[C@]1(C)CN(c1ccccc1)c1ccccc21 |r|

BDBM50503348

Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3c(F)cc(F)cc23)cn1 |r|

BDBM50034774

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(nc3)-c3cnn(C)c3)c3cc(F)cc(F)c23)no1

BDBM50505079

C[N+](C)(CCCC[N+](C)(C)CC#CCOC1=NOCC1)CC#CCOC1=NOCC1

BDBM50505082

C[N+](C)(CCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CC#CCOC1=NOCC1

BDBM50505080

C[N+](C)(CC#CCOC1=NOCC1)Cc1ccc(cc1)N=Nc1ccccc1

BDBM50505083

C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(N=N/c2c(F)cccc2F)c(F)c1

BDBM50505084

C[N+](C)(CC#CCOC1=NOCC1)Cc1ccc(cc1)N=N/c1ccc(C[N+](C)(C)CC#CCOC2=NOCC2)cc1

BDBM50505086

C[N+](C)(CCCCCCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CC#CCOC1=NOCC1

BDBM50505087

C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(N=N/c2c(F)cc(C[N+](C)(C)CC#CCOC3=NOCC3)cc2F)c(F)c1

BDBM50505085

Cc1cc(C[N+](C)(C)CC#CCOC2=NOCC2)ccc1N=Nc1ccc(C[N+](C)(C)CC#CCOC2=NOCC2)cc1

BDBM50505089

C[N+](C)(CCCCCC[N+](C)(C)CC#CCOC1=NOCC1)CC#CCOC1=NOCC1

BDBM50505088

C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(N=Nc2c(F)cc(C[N+](C)(C)CC#CCOC3=NOCC3)cc2F)c(F)c1

BDBM50505090

C[N+](C)(CC#CCOC1=NOCC1)Cc1ccc(cc1)N=N/c1ccccc1

BDBM50505081

C[N+](C)(CC#CCOC1=NOCC1)Cc1cc(F)c(N=Nc2c(F)cccc2F)c(F)c1

BDBM50505701

COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(F)cc2)c2ccccc2)CC1

BDBM50505700

COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1

BDBM50061556

CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(O)cc12 |t:8|

BDBM50061558

COc1ccc2Nc3ccccc3N=C(N3CCN(C)CC3)c2c1 |t:14|

BDBM50010594

CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(Cl)cc12 |t:8|

BDBM50061555

COc1ccc2Nc3ccccc3C(=Nc2c1)N1CCN(C)CC1 |c:14|

BDBM50061559

CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|

BDBM50061557

CN1CCN(CC1)C1=Nc2cc(O)ccc2Nc2ccccc12 |t:8|

BDBM50061560

CN1CCN(CC1)C1=Nc2cc(OS(=O)(=O)C(F)(F)F)ccc2Nc2ccccc12 |t:8|

BDBM50061706

CO\N=C(/C#N)C12CCN(CC1)C2

BDBM50061702

CO\N=C\[C@H]1C[N@@]2CC[C@H]1C2

BDBM50061719

CO\N=C(/C#N)[C@H]1C[N@@]2CC[C@H]1C2

BDBM50061707

CO\N=C(/C#N)C12CCN(C1)CCC2

BDBM50061722

C[N+](C)(C)CC#CCOC(=O)c1cccc(Cl)c1

BDBM50061710

CO\N=C(/C#N)[C@@H]1C[N@@]2CC[C@H]1C2

BDBM50450532

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CCCCc1ccccc1 |r|

BDBM50061878

[H][C@]12CC[C@]([H])(C[C@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C(=O)\C=C\c1ccccc1 |r,TLB:9:7:25:2.3|

BDBM50061881

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC1CC1)c1ccc(F)cc1 |TLB:8:9:16:12.13|

BDBM86701

CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|

BDBM50061879

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|

BDBM50061883

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)[N+]2(C)C

BDBM50061882

Fc1ccc(CN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:14:12:6:8.9|

BDBM50061887

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2C=O)c1ccc(F)cc1 |TLB:8:9:16:12.13|

BDBM50061885

CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:12:10:4:6.7|

BDBM50061889

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|

BDBM50061884

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:16:12.13|

BDBM50061877

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(F)cc1 |TLB:8:9:16:12.13|

BDBM50062157

C1Cc2ccc3nsnc3c2CN1

BDBM50062155

CN1CCC2=C(C1)c1nsnc1SC2 |c:4|

BDBM50062158

CSc1nsnc1C1=C(C)CCN(C)C1 |c:8|

BDBM50508991

COc1ccc2nc3CCCCc3c(NCCCCCCCCNC(=S)NC34CC5CC(CC(C5)C3)C4)c2c1 |TLB:26:27:30:34.33.32,THB:32:33:30.31.36:28,32:31:28:34.33.35,35:33:30:36.27.28,35:27:30:34.33.32|

BDBM50062579

CCCCCSc1nsnc1OC1CN2CCC1CC2 |(8.94,-15.94,;8.64,-14.44,;9.78,-13.42,;9.48,-11.91,;10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|

BDBM50062570

CCCSc1nsnc1OC1CN2CCC1C2 |THB:9:10:16:14.13|

BDBM50455268

CCCSc1nsnc1O[C@@H]1CC2CCN(C2)C1 |r|

BDBM50062574

CCCCOc1nsnc1OC1CNC1

BDBM50062587

CCCSc1nsnc1OC12CCN(C1)CCC2

BDBM50062588

CCCCOc1nccnc1OC1CN2CCC1CC2 |(8.29,-14.19,;9.45,-13.17,;9.13,-11.65,;10.29,-10.62,;9.97,-9.12,;11.3,-8.36,;12.65,-9.13,;13.98,-8.36,;13.98,-6.81,;12.65,-6.05,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|

BDBM50062572

CCCCOc1nsnc1OCC[N+](C)(C)C

BDBM50062597

CCCCCOc1nsnc1OC1CN2CCC1CC2 |(8.94,-15.94,;8.64,-14.44,;9.78,-13.42,;9.48,-11.91,;10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|

BDBM50062584

CCCCCCOc1nsnc1OC1CN2CCC1CC2 |(7.81,-17,;8.96,-15.97,;8.66,-14.47,;9.8,-13.45,;9.5,-11.93,;10.64,-10.9,;10.33,-9.4,;11.48,-8.38,;13,-8.7,;13.77,-7.35,;12.72,-6.2,;11.34,-6.83,;10,-6.06,;8.66,-6.83,;8.66,-8.38,;7.32,-9.14,;6.01,-8.38,;6.01,-6.83,;7.32,-6.05,;6.57,-7.39,;8.1,-7.79,)|

BDBM50062581

CSc1nsnc1OC1CN2CCC1CC2 |(10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|

BDBM50062589

CCCCSc1nsnc1OC1CN2CCC1CC2 |(8.64,-14.44,;9.78,-13.42,;9.48,-11.91,;10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|

BDBM50062580

CCCCOc1nsnc1OC1CCN(C)C1

BDBM50062582

CCCCOc1nsnc1OC1CCNC1

BDBM50062585

CCCSc1nsnc1OC1CN2CCC1CC2 |(9.78,-13.42,;9.48,-11.91,;10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|

BDBM50034625

CC(=O)OC1CN2CCC1CC2 |(10.76,-5.27,;9.32,-4.51,;9.32,-2.9,;7.94,-5.34,;6.53,-4.61,;6.53,-3.08,;5.18,-2.29,;4.35,-3.24,;4.35,-4.51,;5.2,-5.39,;3.85,-4.62,;3.85,-3.08,)|

BDBM50062576

Clc1nsnc1OC1CN2CCC1CC2 |(10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|

BDBM50062575

CCOc1nsnc1OC1CN2CCC1CC2 |(9.48,-11.91,;10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|

BDBM50062577

CCCSc1nsnc1OC1CN2CC1CCC2 |TLB:9:10:13:17.15.16|

BDBM50062594

COc1nsnc1OC1CN2CCC1CC2 |(10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|

BDBM50062578

CCCOc1nsnc1OC1CN2CCC1CC2 |(9.78,-13.42,;9.48,-11.91,;10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|

BDBM50062591

CCSc1nsnc1OC1CN2CCC1CC2 |(9.48,-11.91,;10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|

BDBM50062586

CCCCOc1nsnc1OC1CN2CCC1CC2 |(8.64,-14.44,;9.78,-13.42,;9.48,-11.91,;10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|

BDBM50062595

CCCSc1nsnc1C1CN2CCC1C2 |THB:8:9:15:13.12|

BDBM50062590

CCCCOc1nsnc1OCCN(C)C

BDBM50062583

CCCCOc1nonc1OC1CN2CCC1CC2 |(8.64,-14.44,;9.78,-13.42,;9.48,-11.91,;10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|

BDBM50062573

CSCCc1nsnc1OC1CN2CCC1CC2 |(9.78,-13.42,;9.48,-11.91,;10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;6.56,-7.38,;8.08,-7.78,)|

BDBM50062593

CCCCCCSc1nsnc1OC1CN2CCC1CC2 |(7.81,-17,;8.96,-15.97,;8.66,-14.47,;9.8,-13.45,;9.5,-11.93,;10.64,-10.9,;10.33,-9.4,;11.48,-8.38,;13,-8.7,;13.77,-7.35,;12.72,-6.2,;11.34,-6.83,;10,-6.06,;8.66,-6.83,;8.66,-8.38,;7.32,-9.14,;6.01,-8.38,;6.01,-6.83,;7.32,-6.05,;6.57,-7.39,;8.1,-7.79,)|

BDBM50062592

CCSCc1nsnc1OC1CN2CCC1CC2 |(9.78,-13.42,;9.48,-11.91,;10.62,-10.88,;10.31,-9.38,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,;11.32,-6.82,;9.99,-6.05,;8.64,-6.82,;8.64,-8.36,;7.31,-9.12,;8.08,-7.78,;6.56,-7.38,;7.31,-6.04,;6,-6.82,;6,-8.36,)|

BDBM50062596

C1CN2CCC1C(C2)Oc1cnsn1 |(6.56,-7.38,;8.08,-7.78,;7.31,-9.12,;6,-8.36,;6,-6.82,;7.31,-6.04,;8.64,-6.82,;8.64,-8.36,;9.99,-6.05,;11.32,-6.82,;11.46,-8.36,;12.97,-8.68,;13.74,-7.33,;12.7,-6.19,)|

BDBM50065204

Clc1ccccc1C#CCO\N=C1/CN2CCC1C2

BDBM50065205

C#CCC#CCO\N=C1/CN2CCC1C2

BDBM50065209

C#C\C=C\CO\N=C1/CN2CCC1C2

BDBM50065212

C(O\N=C1/CN2CCC1C2)C#Cc1cccs1

BDBM50065215

CO\N=C1/CN2CCC1C2

BDBM50065216

Clc1ccc(cc1)C#CCO\N=C1/CN2CCC1C2

BDBM50065217

[O-][N+](=O)c1cccc(c1)C#CCO[N-][C+]1CN2CCC1C2

BDBM50065218

C(O\N=C1/CN2CCC1C2)C#Cc1ccsc1

BDBM50065220

COc1ccc(cc1)C#CCO\N=C1/CN2CCC1C2

BDBM50065214

Fc1ccc(cc1)C#CCO\N=C1/CN2CCC1C2

BDBM50065221

C\C(=C/CO\N=C1/CN2CCC1C2)C#C

BDBM50065224

[#6]\[#6](-[#6])=[#6]\[#6]-[#8]\[#7]=[#6]-1/[#6]-[#7]-2-[#6]-[#6]-[#6]-1-[#6]-2

BDBM50065213

C#CCO\N=C1/CN2CCC1C2

BDBM50065226

C\C(=C/CO\N=C1/CN2CCC1C2)C#Cc1ccccc1

BDBM50065219

C=CCO\N=C1/CN2CCC1C2

BDBM50065222

Fc1cccc(c1)C#CCO\N=C1/CN2CCC1C2

BDBM50065207

C\C(=C\CO\N=C1/CN2CCC1C2)C#C

BDBM50065223

COc1cccc(c1)C#CCO\N=C1/CN2CCC1C2

BDBM50065211

COc1ccccc1C#CCO\N=C1/CN2CCC1C2

BDBM50065225

Cc1ccc(cc1)C#CCO\N=C1/CN2CCC1C2

BDBM50065206

Clc1cccc(c1)C#CCO\N=C1/CN2CCC1C2

BDBM50065208

Fc1ccccc1C#CCO\N=C1/CN2CCC1C2

BDBM50065210

C#CCC#CCC#CCO\N=C1/CN2CCC1C2

BDBM50065227

C(O\N=C1/CN2CCC1C2)C#Cc1ccccc1

BDBM50516235

FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1

BDBM50518558

COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1

BDBM50518561

COc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:12:13:16.17:19.20,(22.53,-54.79,;21.23,-53.98,;19.87,-54.7,;19.81,-56.24,;18.45,-56.96,;17.15,-56.13,;15.79,-56.86,;14.49,-56.04,;13.12,-56.76,;11.82,-55.94,;10.46,-56.66,;10.4,-58.2,;9.15,-55.85,;7.79,-56.57,;7.44,-58,;5.96,-57.49,;5.95,-55.46,;6.55,-54.2,;6.58,-56.12,;4.88,-56.57,;4.47,-58.01,;9.21,-54.31,;10.57,-53.59,;10.63,-52.05,;9.32,-51.23,;7.96,-51.96,;7.91,-53.5,;17.2,-54.61,;18.55,-53.88,;18.6,-52.34,)|

BDBM50518562

COc1ccc(CCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1 |TLB:11:12:15.16:18.19,(20.61,-35.07,;19.25,-35.79,;17.94,-34.97,;16.58,-35.7,;15.28,-34.88,;15.34,-33.34,;14.04,-32.52,;12.67,-33.24,;11.37,-32.43,;10.01,-33.15,;9.95,-34.69,;8.7,-32.33,;7.34,-33.05,;6.99,-34.48,;5.51,-33.98,;5.5,-31.95,;6.1,-30.69,;6.13,-32.6,;4.43,-33.06,;4.02,-34.49,;8.76,-30.79,;10.12,-30.07,;10.18,-28.54,;8.87,-27.72,;7.51,-28.45,;7.46,-29.98,;16.69,-32.62,;18,-33.43,)|

BDBM50518557

Fc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(18.31,-36.25,;16.97,-35.49,;15.64,-36.26,;14.31,-35.49,;14.31,-33.95,;12.98,-33.18,;11.65,-33.95,;10.31,-33.18,;8.98,-33.95,;8.98,-35.49,;7.65,-33.18,;6.31,-33.95,;5.96,-35.38,;4.48,-34.87,;4.47,-32.84,;5.07,-31.58,;5.1,-33.5,;3.39,-33.95,;2.99,-35.39,;10.31,-31.64,;8.98,-30.87,;8.98,-29.32,;10.31,-28.55,;11.65,-29.32,;11.65,-30.87,;15.64,-33.17,;16.97,-33.94,)|

BDBM50518577

CN1CCCC(C1)OC(=O)N(CCc1ccc(F)cc1)c1ccccc1

BDBM50518574

COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1

BDBM50518573

COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1OC |r,@:12,TLB:11:12:19:15.16|

BDBM50518572

COc1ccc(CCN(C(=O)OC2CCN(C)CC2)c2ccccc2)cc1OC

BDBM50518578

COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1OC |TLB:11:12:15.16:18.19,(18.3,-9.26,;16.97,-10.03,;15.64,-9.27,;14.3,-10.04,;12.97,-9.27,;12.98,-7.73,;11.64,-6.96,;10.31,-7.73,;8.98,-6.96,;7.64,-7.73,;7.64,-9.27,;6.31,-6.96,;4.97,-7.73,;4.62,-9.16,;3.14,-8.65,;3.13,-6.62,;3.73,-5.36,;3.76,-7.28,;2.06,-7.74,;1.65,-9.17,;8.98,-5.42,;7.64,-4.65,;7.64,-3.1,;8.97,-2.33,;10.31,-3.1,;10.31,-4.65,;14.3,-6.96,;15.63,-7.72,;16.96,-6.94,;18.3,-7.71,)|

BDBM50518556

Fc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:11:12:15.16:18.19,(80.95,-52.51,;79.59,-53.23,;79.54,-54.77,;78.18,-55.49,;76.88,-54.66,;75.51,-55.39,;74.21,-54.57,;72.85,-55.29,;71.54,-54.47,;70.18,-55.19,;70.13,-56.73,;68.88,-54.38,;67.52,-55.1,;67.17,-56.53,;65.68,-56.02,;65.67,-53.99,;66.27,-52.73,;66.3,-54.65,;64.6,-55.1,;64.2,-56.54,;68.93,-52.84,;70.3,-52.12,;70.35,-50.58,;69.05,-49.76,;67.68,-50.49,;67.63,-52.03,;76.92,-53.14,;78.28,-52.41,;78.33,-50.87,)|

BDBM50518571

Cc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:11:12:15.16:18.19,(59.84,-52.87,;58.48,-53.59,;58.42,-55.13,;57.06,-55.85,;55.76,-55.03,;54.4,-55.75,;53.1,-54.93,;51.74,-55.65,;50.43,-54.83,;49.07,-55.55,;49.01,-57.09,;47.76,-54.74,;46.4,-55.46,;46.05,-56.89,;44.57,-56.38,;44.56,-54.35,;45.16,-53.09,;45.19,-55.01,;43.49,-55.47,;43.08,-56.9,;47.82,-53.2,;49.18,-52.48,;49.24,-50.94,;47.93,-50.13,;46.57,-50.85,;46.52,-52.39,;55.81,-53.5,;57.17,-52.77,;57.22,-51.23,)|

BDBM50518569

Clc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1Cl |TLB:11:12:15.16:18.19,(58.17,-41.63,;56.81,-42.36,;56.76,-43.9,;55.4,-44.62,;54.09,-43.79,;52.73,-44.51,;51.43,-43.7,;50.07,-44.42,;48.76,-43.6,;47.4,-44.32,;47.35,-45.86,;46.1,-43.5,;44.74,-44.22,;44.39,-45.65,;42.9,-45.15,;42.89,-43.12,;43.49,-41.86,;43.52,-43.77,;41.82,-44.23,;41.42,-45.66,;46.15,-41.96,;47.52,-41.25,;47.57,-39.71,;46.27,-38.89,;44.9,-39.62,;44.85,-41.16,;54.14,-42.26,;55.5,-41.54,;55.55,-40,)|

BDBM50518568

Clc1ccc(CCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1Cl |TLB:10:11:14.15:17.18,(36.39,-47.74,;35.08,-46.92,;33.72,-47.64,;32.41,-46.83,;32.48,-45.29,;31.17,-44.47,;29.81,-45.19,;28.5,-44.37,;27.14,-45.09,;27.09,-46.63,;25.84,-44.28,;24.48,-45,;24.13,-46.43,;22.64,-45.92,;22.63,-43.89,;23.23,-42.63,;23.26,-44.55,;21.56,-45,;21.16,-46.44,;25.89,-42.74,;27.26,-42.02,;27.31,-40.48,;26.01,-39.66,;24.64,-40.39,;24.59,-41.93,;33.83,-44.56,;35.13,-45.37,;36.49,-44.65,)|

BDBM50518555

O=C(OCCc1ccc2OCOc2c1)N(C1CN2CCC1CC2)c1ccccc1 |TLB:14:15:18.19:21.22,(71.69,-33.09,;71.75,-31.55,;73.11,-30.83,;74.42,-31.65,;75.78,-30.93,;77.08,-31.75,;77.02,-33.29,;78.32,-34.1,;79.69,-33.37,;81.14,-33.89,;82.08,-32.68,;81.22,-31.4,;79.74,-31.84,;78.43,-31.02,;70.44,-30.74,;69.08,-31.46,;68.73,-32.89,;67.25,-32.38,;67.24,-30.35,;67.84,-29.09,;67.87,-31.01,;66.17,-31.47,;65.76,-32.9,;70.5,-29.2,;71.86,-28.48,;71.92,-26.94,;70.61,-26.12,;69.25,-26.85,;69.2,-28.39,)|

BDBM50518567

O=C(OCc1ccc2OCOc2c1)N(C1CN2CCC1CC2)c1ccccc1 |TLB:13:14:17.18:20.21,(54.21,-33.97,;54.27,-32.43,;55.63,-31.71,;56.93,-32.53,;58.29,-31.81,;58.34,-30.28,;59.7,-29.55,;61.01,-30.37,;62.49,-29.95,;63.35,-31.22,;62.41,-32.43,;60.96,-31.91,;59.6,-32.63,;52.96,-31.61,;51.6,-32.34,;51.25,-33.77,;49.76,-33.26,;49.75,-31.23,;50.35,-29.97,;50.38,-31.89,;48.68,-32.34,;48.28,-33.78,;53.02,-30.07,;54.38,-29.36,;54.44,-27.82,;53.13,-27,;51.76,-27.73,;51.71,-29.27,)|

BDBM50518566

COc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1 |TLB:12:13:16.17:19.20,(41.13,-29.36,;41.07,-30.9,;39.71,-31.62,;39.66,-33.17,;38.3,-33.89,;36.99,-33.06,;35.63,-33.78,;34.33,-32.96,;32.97,-33.69,;31.66,-32.87,;30.3,-33.59,;30.25,-35.13,;29,-32.77,;27.64,-33.49,;27.29,-34.92,;25.8,-34.42,;25.79,-32.39,;26.39,-31.13,;26.42,-33.04,;24.72,-33.5,;24.31,-34.93,;29.05,-31.23,;30.41,-30.52,;30.47,-28.98,;29.16,-28.16,;27.8,-28.89,;27.75,-30.42,;37.04,-31.53,;38.4,-30.81,)|

BDBM50518563

O=C(OCCCc1ccccc1)N(C1CN2CCC1CC2)c1ccccc1 |TLB:12:13:16.17:19.20,(57.75,-22.94,;57.8,-21.4,;59.16,-20.68,;60.47,-21.5,;61.83,-20.77,;63.13,-21.59,;64.49,-20.87,;65.8,-21.7,;67.16,-20.98,;67.21,-19.44,;65.9,-18.62,;64.54,-19.34,;56.5,-20.58,;55.14,-21.3,;54.79,-22.73,;53.3,-22.23,;53.29,-20.2,;53.89,-18.94,;53.92,-20.85,;52.22,-21.31,;51.81,-22.74,;56.55,-19.04,;57.91,-18.33,;57.97,-16.79,;56.66,-15.97,;55.3,-16.7,;55.25,-18.23,)|

BDBM50518565

O=C(OCCc1ccccc1)N(C1CN2CCC1CC2)c1ccccc1 |TLB:11:12:15.16:18.19,(41.96,-22.79,;42.02,-21.25,;43.38,-20.53,;44.68,-21.35,;46.04,-20.63,;47.35,-21.45,;47.29,-22.99,;48.59,-23.8,;49.95,-23.08,;50,-21.53,;48.7,-20.72,;40.71,-20.44,;39.35,-21.16,;39,-22.59,;37.51,-22.08,;37.51,-20.05,;38.11,-18.79,;38.14,-20.71,;36.43,-21.16,;36.03,-22.6,;40.77,-18.9,;42.13,-18.18,;42.19,-16.64,;40.88,-15.82,;39.51,-16.55,;39.46,-18.09,)|

BDBM50518579

COc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1OC |TLB:10:11:14.15:17.18,(76.33,-4.82,;76.28,-6.36,;74.92,-7.08,;74.86,-8.62,;73.5,-9.34,;72.2,-8.52,;70.84,-9.24,;69.54,-8.42,;68.17,-9.14,;68.12,-10.68,;66.87,-8.32,;65.51,-9.05,;65.16,-10.48,;63.67,-9.97,;63.67,-7.94,;64.26,-6.68,;64.3,-8.6,;62.59,-9.05,;62.19,-10.49,;66.93,-6.79,;68.29,-6.07,;68.34,-4.53,;67.04,-3.71,;65.67,-4.44,;65.62,-5.98,;72.25,-6.99,;73.61,-6.26,;73.66,-4.73,;75.01,-4,)|

BDBM50518580

COc1ccc(CCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1OC |TLB:11:12:15.16:18.19,(57.36,-10.91,;56,-11.63,;54.7,-10.82,;53.33,-11.54,;52.03,-10.72,;52.09,-9.18,;50.79,-8.36,;49.43,-9.08,;48.12,-8.27,;46.76,-8.99,;46.71,-10.53,;45.46,-8.17,;44.09,-8.89,;43.74,-10.32,;42.26,-9.82,;42.25,-7.79,;42.85,-6.53,;42.88,-8.44,;41.18,-8.9,;40.77,-10.33,;45.51,-6.63,;46.87,-5.91,;46.93,-4.38,;45.62,-3.56,;44.26,-4.29,;44.21,-5.82,;53.44,-8.46,;54.75,-9.27,;56.11,-8.54,;57.41,-9.35,)|

BDBM50240552

[H][C@@]12CC[C@]([H])(CC(C1)OC(=O)C(CO)c1ccccc1)N2C |r,@@:7,TLB:9:7:21:2.3|

BDBM50518575

COc1ccc(CCN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 |r,@:12,TLB:11:12:19:15.16|

BDBM50518564

COc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:10:11:14.15:17.18,(75.72,-42.28,;74.41,-41.47,;73.05,-42.19,;72.99,-43.73,;71.63,-44.45,;70.33,-43.63,;68.97,-44.35,;67.66,-43.53,;66.3,-44.25,;66.25,-45.79,;65,-43.43,;63.64,-44.15,;63.29,-45.59,;61.8,-45.08,;61.79,-43.05,;62.39,-41.79,;62.42,-43.7,;60.72,-44.16,;60.31,-45.59,;65.05,-41.89,;66.42,-41.18,;66.47,-39.64,;65.17,-38.82,;63.8,-39.55,;63.75,-41.08,;70.38,-42.1,;71.73,-41.37,;71.79,-39.83,)|

BDBM50518582

O=C(OCc1ccccc1)N(C1CN2CCC1CC2)c1ccccc1 |TLB:10:11:14.15:17.18,(26.99,-23.41,;27.05,-21.87,;28.41,-21.15,;29.72,-21.97,;31.08,-21.25,;32.38,-22.07,;33.74,-21.35,;33.8,-19.81,;32.48,-18.99,;31.13,-19.72,;25.74,-21.05,;24.38,-21.78,;24.03,-23.21,;22.55,-22.7,;22.54,-20.67,;23.14,-19.41,;23.17,-21.32,;21.46,-21.78,;21.06,-23.22,;25.8,-19.51,;27.16,-18.8,;27.22,-17.26,;25.91,-16.44,;24.55,-17.17,;24.5,-18.71,)|

BDBM50518576

CN1CCC(CC1)OC(=O)N(CCc1ccc(F)cc1)c1ccccc1

BDBM50518559

COc1ccc(CCN(C(=O)OC2CN3CCC2CC3)c2ccccc2)cc1 |TLB:11:12:15.16:18.19,(19.07,-20.84,;17.73,-21.62,;16.4,-20.85,;15.06,-21.62,;13.73,-20.85,;13.74,-19.31,;12.4,-18.54,;11.07,-19.31,;9.74,-18.54,;8.4,-19.31,;8.4,-20.85,;7.07,-18.54,;5.74,-19.31,;5.39,-20.74,;3.9,-20.23,;3.89,-18.2,;4.49,-16.94,;4.52,-18.86,;2.82,-19.32,;2.41,-20.75,;9.74,-17,;8.4,-16.23,;8.41,-14.68,;9.73,-13.91,;11.07,-14.68,;11.07,-16.23,;15.06,-18.54,;16.39,-19.3,)|

BDBM50518584

COc1ccc(CCN(C(=O)OC2CCCN(C)C2)c2ccccc2)cc1OC

BDBM50518570

Cc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1F |TLB:9:10:13.14:16.17,(39.78,-53.75,;38.42,-54.48,;38.36,-56.02,;37,-56.74,;35.7,-55.91,;34.34,-56.63,;33.03,-55.81,;31.67,-56.54,;31.62,-58.07,;30.37,-55.72,;29.01,-56.44,;28.66,-57.87,;27.17,-57.37,;27.16,-55.34,;27.76,-54.07,;27.79,-55.99,;26.09,-56.45,;25.68,-57.88,;30.42,-54.18,;31.78,-53.46,;31.84,-51.93,;30.53,-51.11,;29.17,-51.84,;29.12,-53.37,;35.75,-54.38,;37.1,-53.66,;37.15,-52.12,)|

BDBM50518581

Clc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1Cl |TLB:9:10:13.14:16.17,(17.52,-43.11,;16.16,-43.84,;16.11,-45.38,;14.75,-46.1,;13.44,-45.27,;12.08,-45.99,;10.78,-45.18,;9.41,-45.9,;9.36,-47.44,;8.11,-45.08,;6.75,-45.8,;6.4,-47.23,;4.91,-46.73,;4.9,-44.7,;5.5,-43.43,;5.53,-45.35,;3.83,-45.81,;3.42,-47.24,;8.16,-43.54,;9.53,-42.82,;9.58,-41.28,;8.28,-40.46,;6.91,-41.19,;6.86,-42.73,;13.49,-43.74,;14.85,-43.02,;14.9,-41.48,)|

BDBM50518583

COc1ccc(COC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1 |TLB:10:11:14.15:17.18,(82.94,-16.29,;82.89,-17.83,;81.53,-18.55,;81.47,-20.09,;80.11,-20.81,;78.81,-19.99,;77.45,-20.71,;76.14,-19.89,;74.78,-20.61,;74.73,-22.15,;73.47,-19.79,;72.11,-20.51,;71.76,-21.95,;70.28,-21.44,;70.27,-19.41,;70.87,-18.15,;70.9,-20.06,;69.19,-20.52,;68.79,-21.95,;73.53,-18.25,;74.89,-17.54,;74.95,-16,;73.64,-15.18,;72.28,-15.91,;72.23,-17.44,;78.86,-18.46,;80.21,-17.73,)|

BDBM50518560

COc1ccc(CCCOC(=O)N(C2CN3CCC2CC3)c2ccccc2)cc1OC |TLB:12:13:16.17:19.20,(18.87,-18,;18.82,-19.54,;17.46,-20.26,;17.4,-21.8,;16.04,-22.52,;14.74,-21.7,;13.38,-22.42,;12.07,-21.6,;10.71,-22.32,;9.41,-21.5,;8.05,-22.22,;7.99,-23.76,;6.74,-21.41,;5.38,-22.13,;5.03,-23.56,;3.55,-23.05,;3.54,-21.02,;4.14,-19.76,;4.17,-21.68,;2.47,-22.14,;2.06,-23.57,;6.8,-19.87,;8.16,-19.15,;8.22,-17.61,;6.91,-16.79,;5.55,-17.52,;5.5,-19.06,;14.79,-20.17,;16.14,-19.44,;16.19,-17.9,;17.55,-17.18,)|

BDBM50520683

Oc1ccccc1C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1

BDBM50076075

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCCC3C)[C@@H]12

BDBM50076077

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCOCC3)[C@@H]12

BDBM50076078

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CC(C)NC(C)C3)[C@@H]12

BDBM50076079

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CC(C)NCC3C)[C@@H]12

BDBM50076081

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN[C@@H](C)C3)[C@@H]12

BDBM50076082

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(C)C3)[C@@H]12

BDBM50076076

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCSCC3)[C@@H]12

BDBM50076085

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(C)CC3)[C@@H]12

BDBM50076088

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCNC34CC5CC(CC(C5)C3)C4)[C@@H]12 |TLB:25:20:27:24.26.23,25:24:27:20.19.21,THB:23:24:19:22.27.21,23:22:19:24.26.25|

BDBM50076086

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCc4ccccc4C3)[C@@H]12

BDBM50076089

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12

BDBM50076090

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC4CCCCC34)[C@@H]12

BDBM50076093

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCC(CC3)N3CCCCC3)[C@@H]12

BDBM50076080

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(O)C3)[C@@H]12

BDBM50076091

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3C)[C@@H]12

BDBM50076083

CCC1CCCCN1CCC[C@H]1[C@H]2[C@H](C)OC(=O)[C@H]2C[C@H]2CCCC[C@H]12

BDBM50076084

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(C)(C)C3)[C@@H]12

BDBM50076092

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCNCC3)[C@@H]12

BDBM50076094

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCC(C)CC3)[C@@H]12

BDBM50076096

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCCC3)[C@@H]12

BDBM50076095

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(CC3)C(=O)OC(C)(C)C)[C@@H]12

BDBM50076087

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CC(C)OC(C)C3)[C@@H]12

BDBM50076099

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN[C@H](C)C3)[C@@H]12

BDBM50076098

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCN(CC3)C3CCCCC3)[C@@H]12

BDBM50076097

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCC(O)CC3)[C@@H]12

BDBM50078065

CN1CCN(CC1)C1=Nc2cc(OS(C)(=O)=O)ccc2Nc2ccccc12 |t:8|

BDBM50078066

CN1CCN(CC1)C1=Nc2ccccc2Nc2ccc(OS(C)(=O)=O)cc12 |t:8|

BDBM50078063

CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|

BDBM50078061

CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|

BDBM50078062

CN1CCN(CC1)C1=Nc2ccccc2Oc2ccc(OS(=O)(=O)C(F)(F)F)cc12 |t:8|

BDBM50523439

FC(F)(F)c1cc(Oc2nccc3ccsc23)ccc1-c1cccc2nccn12

BDBM50523440

Cc1ncc2nccn2c1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F |(17.28,-55.18,;17.28,-53.64,;18.61,-52.87,;18.61,-51.33,;17.26,-50.56,;16.94,-49.07,;15.41,-48.91,;14.79,-50.31,;15.93,-51.33,;15.95,-52.87,;14.62,-53.65,;14.63,-55.19,;13.29,-55.96,;11.96,-55.19,;10.63,-55.96,;10.64,-57.5,;11.97,-58.26,;11.98,-59.81,;10.64,-60.59,;9.31,-59.81,;7.83,-60.29,;6.93,-59.04,;7.84,-57.79,;9.31,-58.27,;11.95,-53.66,;13.28,-52.88,;13.27,-51.34,;11.93,-50.58,;14.38,-50.56,;13.26,-49.79,)|

BDBM50523438

FC(F)(F)c1cc(Oc2nccc3occc23)ccc1-c1cccc2nccn12

BDBM50525111

CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525115

C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50525114

CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525119

C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50525122

C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50525123

CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50525124

CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50525125

C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50525117

C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525112

CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525126

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525120

C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525121

CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525127

CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525128

CC(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525129

CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525141

CCCC(C)(C)C(=O)N(CC)CCCC1CCN(CC(=O)N2c3ccc(Cl)cc3C(=O)Nc3cccnc23)CC1

BDBM50230694

CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525110

CN1CCC(=CC1)c1nsnc1OCCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |c:4|

BDBM50525142

CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525109

CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CCCCCCNCC(=O)N1c2ncccc2NC(=O)c2cccnc12

BDBM50525139

C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50525134

CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525137

CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525118

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(C)=O)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50525113

N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525131

C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525143

CCC(=O)NCc1cc(cc(c1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50525138

CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50525130

CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50525133

C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525135

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525136

C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525116

CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50525132

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50081724

CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(C=C2CN3CCC2CC3)on1 |w:17.17,(10.93,-19.04,;11.84,-17.74,;13.3,-17.06,;12.42,-19.09,;11.06,-16.38,;9.51,-16.38,;8.73,-17.71,;8.73,-15.02,;7.17,-15.02,;6.42,-13.66,;4.89,-13.66,;4.12,-14.99,;4.87,-16.32,;6.4,-16.34,;2.59,-14.98,;1.7,-13.72,;.23,-14.2,;-1.12,-13.4,;-2.49,-14.18,;-2.49,-15.7,;-3.82,-16.48,;-3.08,-14.7,;-4.56,-15.11,;-3.82,-13.4,;-5.14,-14.18,;-5.14,-15.7,;.21,-15.72,;1.66,-16.21,)|

BDBM50081725

COc1ccc(COc2ccc(cc2OCc2ccc(OC)cc2)-c2cc(\C=C3/CN4CCC3CC4)on2)cc1 |(16.41,-12.32,;15.64,-13.64,;14.09,-13.64,;13.32,-14.98,;11.77,-14.96,;11.02,-13.61,;9.47,-13.61,;8.68,-14.93,;7.13,-14.93,;6.38,-13.57,;4.87,-13.57,;4.09,-14.9,;4.84,-16.22,;6.36,-16.24,;7.13,-17.59,;6.36,-18.92,;7.12,-20.27,;6.33,-21.6,;7.09,-22.94,;8.63,-22.95,;9.41,-24.29,;10.95,-24.29,;9.42,-21.6,;8.65,-20.27,;2.58,-14.89,;1.69,-13.64,;.23,-14.11,;-1.12,-13.32,;-2.47,-14.09,;-2.47,-15.6,;-3.8,-16.38,;-5.11,-15.6,;-5.11,-14.09,;-3.8,-13.32,;-4.53,-15.01,;-3.06,-14.61,;.2,-15.63,;1.65,-16.11,;11.79,-12.29,;13.32,-12.29,)|

BDBM50081728

COc1ccc(COc2ccc(cc2)-c2cc(\C=C3\CN4CCC3CC4)on2)cc1 |(27.23,-4.04,;28.76,-3.82,;29.69,-5.04,;31.24,-4.84,;32.18,-6.07,;31.6,-7.5,;32.55,-8.72,;34.08,-8.52,;35.01,-9.72,;36.53,-9.53,;37.47,-10.74,;36.89,-12.16,;35.37,-12.37,;34.43,-11.14,;37.81,-13.37,;37.39,-14.82,;38.66,-15.69,;38.69,-17.24,;37.34,-18.01,;37.34,-19.53,;36,-20.3,;34.69,-19.53,;34.69,-18.01,;36,-17.24,;35.27,-18.94,;36.75,-18.53,;39.85,-14.75,;39.34,-13.32,;30.07,-7.71,;29.11,-6.5,)|

BDBM50081730

COc1ccc(COc2ccc(cc2OCc2ccc(OC)cc2)-c2cc(\C=C3\CN4CCC3C4)on2)cc1

BDBM50081731

COc1ccc(COc2ccc(cc2OCc2ccc(OC)cc2)-c2cc(\C=C3\CN4CCC3CC4)on2)cc1 |(27.17,-4.04,;28.72,-3.81,;29.65,-5.04,;31.2,-4.83,;32.13,-6.06,;31.55,-7.48,;32.49,-8.71,;34.02,-8.51,;34.97,-9.71,;34.39,-11.13,;35.32,-12.35,;36.83,-12.15,;37.41,-10.73,;36.48,-9.51,;37.06,-8.09,;38.61,-7.87,;39.19,-6.45,;40.72,-6.25,;41.31,-4.81,;40.37,-3.59,;40.95,-2.17,;39.99,-.95,;38.82,-3.81,;38.24,-5.23,;37.76,-13.35,;37.34,-14.8,;38.61,-15.67,;38.64,-17.21,;37.29,-17.99,;37.29,-19.5,;35.95,-20.27,;34.64,-19.5,;34.64,-17.99,;35.95,-17.21,;35.22,-18.91,;36.69,-18.5,;39.8,-14.73,;39.28,-13.31,;30.03,-7.7,;29.07,-6.49,)|

BDBM50081732

CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(C=C2CN3CCC2CC3)on1 |w:17.17,(36.02,-4.34,;34.43,-4.44,;33.01,-3.7,;35.15,-3.15,;33.85,-5.87,;34.8,-7.11,;36.35,-6.9,;34.21,-8.55,;35.16,-9.76,;34.58,-11.19,;35.51,-12.42,;37.04,-12.21,;37.62,-10.79,;36.68,-9.57,;37.97,-13.42,;37.54,-14.88,;38.82,-15.75,;38.85,-17.31,;37.49,-18.09,;37.49,-19.61,;36.15,-20.39,;36.9,-18.61,;35.42,-19.02,;36.15,-17.31,;34.83,-18.09,;34.83,-19.61,;40.02,-14.81,;39.5,-13.38,)|

BDBM50081734

COc1ccc(COc2ccc(cc2OCc2ccc(OC)cc2)-c2cc(\C=C3/CN4CCC3C4)on2)cc1

BDBM50081736

COc1ccc(COc2ccc(cc2)-c2cc(\C=C3/CN4CCC3CC4)on2)cc1 |(16.5,-12.38,;15.72,-13.71,;14.17,-13.71,;13.39,-15.04,;11.83,-15.04,;11.08,-13.68,;9.52,-13.68,;8.72,-15.01,;7.17,-15.01,;6.39,-16.32,;4.87,-16.3,;4.11,-14.98,;4.89,-13.65,;6.41,-13.65,;2.59,-14.96,;1.7,-13.71,;.23,-14.19,;-1.12,-13.39,;-2.48,-14.17,;-2.48,-15.69,;-3.82,-16.47,;-5.14,-15.69,;-5.14,-14.17,;-3.82,-13.39,;-4.56,-15.09,;-3.08,-14.68,;.21,-15.71,;1.66,-16.19,;11.83,-12.35,;13.39,-12.35,)|

BDBM50450971

O=C(C[C@@H]1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12 |r|

BDBM50450972

[H][C@]12CCCCN1CCC[C@H]2CN1Cc2nc3cccnc3n2-c2ccccc2C1=O

BDBM50450970

O=C(C[C@H]1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12 |r|

BDBM50082334

O=C(CNCC1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50082335

O=C1Nc2cccnc2N(C(=S)CC2CCCN3CCCC[C@@H]23)c2ccccc12

BDBM50082333

O=C(CSCC1CCCN2CCCCC12)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50082336

Cc1cc(ccc1NC(=O)CC1CCCN2CCCC[C@H]12)C(=O)c1ccccc1

BDBM50082338

O=C(CC1CCCN2CCCCC12)N1c2ccccc2NC(=O)c2cccnc12

BDBM50116766

CCCN[C@H]1CCc2c(sc(n2)N)C1

BDBM50083651

CCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CO)C(=O)OCc1ccccc1

BDBM50083652

CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)CCCCCCCCCCCCC)C(=O)OCc1ccccc1

BDBM50084050

CN1C2CCC1C=C(C2)c1cccc(Cl)n1 |c:7,THB:9:7:1:4.3|

BDBM50084051

CN1C2CCC1C=C(C2)c1ccc(Cl)nc1 |c:7,THB:9:7:1:4.3|

BDBM50089787

CN1C2CC(OC(=O)c3ccccc3)C1CCC2 |TLB:5:4:1:15.17.16|

BDBM50089786

O=C(OC1CC2CCCC1N2)c1ccccc1 |THB:2:3:10:8.7.6|

BDBM50089788

O=C(OC1CC2CCCC1N2)C1CCCCC1 |THB:2:3:10:8.7.6|

BDBM50089791

[O-][N+](=O)c1ccc(cc1)C(=O)OC1CC2CCCC1N2 |THB:11:12:19:17.16.15|

BDBM50089794

CN1C2CC(OC(=O)OCC(Cl)(Cl)Cl)C1CCC2 |TLB:5:4:1:15.17.16|

BDBM50089790

CN1C2CC(OC(=O)C3CCCCC3)C1CCC2 |TLB:5:4:1:15.17.16|

BDBM50089797

CCC(=O)OC1CC2CCCC1N2 |THB:4:5:12:10.9.8|

BDBM50089789

CCC(=O)OC1CC2CCCC1N2C |THB:4:5:12:10.8.9|

BDBM50228403

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1

BDBM50228397

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-1

BDBM50042441

COc1ccc(cc1C)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1cc(F)c(F)c(F)c1 |r|

BDBM50445222

Fc1ccc(cc1F)C(=O)N1CCN2C(=O)c3ccccc3[C@@]12c1ccc(Cl)cc1 |r|

BDBM50534550

Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)OCCS2

BDBM50534551

Fc1cc(F)cc(c1)-c1nnc(Cc2nc(no2)-c2ccc3OCOc3c2)o1

BDBM50451110

COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |r|

BDBM50451112

COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1 |r|

BDBM50451111

COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1 |r|

BDBM50451113

COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1 |r|

BDBM50451109

COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1 |r|

BDBM50451114

COc1ccc(cc1)[S@@+]([O-])c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1 |r|

BDBM50451115

COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1 |r|

BDBM50451116

COc1ccc(cc1)[S@+]([O-])c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1 |r|

BDBM50092313

COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)C1CCN(CC1)C1CCCCC1

BDBM50092315

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)C1CCN(CC1)C1CCCCC1

BDBM50092319

COc1ccc(cc1)S(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1

BDBM50092321

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=C)C1CCN(CC1)C1CCCCC1

BDBM50092322

COc1ccc(Sc2ccc(cc2)C(=C)C2CCN(CC2)C2CCCCC2)cc1

BDBM50092320

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1

BDBM50092314

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(=O)C1CCN(CC1)C1CCCCC1

BDBM50092983

CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)S(C)(=O)=O

BDBM50092984

CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1

BDBM50092986

COc1ccc(cc1)S(=O)c1ccc(cc1)C(C1CCCCC1)N1CCN(CC1)C1CCCCC1

BDBM50092987

CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)(C)C

BDBM50092990

CC(N1CCNCC1)c1ccc(cc1)S(=O)(=O)c1ccccc1

BDBM50092993

COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C(F)(F)F

BDBM50092995

CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccc(C)cc1

BDBM50092988

CC(N1CCN(C)CC1)c1ccc(cc1)S(=O)(=O)c1ccccc1

BDBM50092996

COc1ccc(cc1)S(=O)(=O)c1ccc(cc1)C(C)N1CCN(CC1)C1CCCCC1

BDBM50092989

CC(N1CCN(CC1)C1CCCCC1)c1ccc(cc1)S(=O)(=O)c1ccccc1

BDBM50092991

CCOC(=O)N1CCN(CC1)C(C)c1ccc(cc1)S(=O)(=O)c1ccccc1

BDBM50092317

COc1ccc(cc1)S(=O)c1ccc(cc1)C(C#N)N1CCN(CC1)C1CCCCC1

BDBM50092985

COc1ccc(cc1)S(=O)c1ccc(cc1)C(N1CCN(CC1)C1CCCCC1)C(N)=O

BDBM50092994

CC(N1CCN(CC1)c1ccccc1)c1ccc(cc1)S(=O)(=O)c1ccccc1

BDBM50092992

CC(N1CCN(CCO)CC1)c1ccc(cc1)S(=O)(=O)c1ccccc1

BDBM50538194

[H][C@]12CC[N@+](C)(CC1)C[C@@H]2OC(=O)Nc1ccc(F)cc1-c1ccccc1

BDBM50538195

[H][C@]12CC[N@+](C)(CC1)C[C@@H]2NC(=O)Nc1ccc(F)cc1-c1ccccc1

BDBM50538196

Fc1ccc(NC(=O)N[C@H]2CN3CCC2CC3)c(c1)-c1ccccc1 |r,wU:9.8,(14.44,-16.14,;14.44,-14.6,;15.78,-13.83,;15.77,-12.28,;14.44,-11.52,;14.43,-9.98,;15.77,-9.2,;15.76,-7.66,;17.1,-9.97,;18.43,-9.2,;18.42,-7.66,;19.76,-6.89,;21.1,-7.66,;21.09,-9.2,;19.77,-9.97,;19.1,-8.56,;20.52,-8.21,;13.11,-12.29,;13.11,-13.83,;11.78,-11.52,;11.78,-9.98,;10.45,-9.21,;9.12,-9.98,;9.12,-11.53,;10.45,-12.29,)|

BDBM50538197

[H][C@]12O[C@@]1([H])[C@]1([H])C[C@H](C[C@@]2([H])N1C)OC(=O)Nc1ccc(F)cc1-c1ccccc1 |r,TLB:14:8:12:3.1,2:3:12:8.7.9,2:1:12:8.7.9|

BDBM50538198

[H][C@]12CC[C@]([H])(C[C@H](C1)OC(=O)Nc1ccc(F)cc1-c1ccccc1)N2C |r,TLB:9:7:26:3.2|

BDBM50538199

Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccccc1 |r,wU:9.8,(9.06,-42.48,;9.06,-40.97,;10.41,-40.2,;10.4,-38.65,;9.06,-37.88,;9.06,-36.34,;10.39,-35.57,;10.39,-34.03,;11.72,-36.33,;13.06,-35.56,;13.06,-34.03,;14.39,-33.25,;15.73,-34.02,;15.73,-35.57,;14.4,-36.33,;14.87,-35.15,;13.88,-34.75,;7.74,-38.65,;7.73,-40.2,;6.4,-37.88,;6.4,-36.34,;5.07,-35.57,;3.74,-36.34,;3.74,-37.89,;5.08,-38.65,)|

BDBM50538200

C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1

BDBM50538201

C[N+]1(C)CCC(COC(=O)Nc2ccc(F)cc2-c2cccc(Cl)c2)CC1

BDBM50538202

C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1 |r|

BDBM50538203

C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1 |r|

BDBM50538204

Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cc(Cl)cc(Cl)c1

BDBM50538205

Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1

BDBM50538206

Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cccc(Cl)c1

BDBM50538207

Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccc(F)c(Cl)c1 |r,wU:9.8,(12.23,-40.25,;12.23,-38.74,;13.58,-37.97,;13.57,-36.42,;12.23,-35.65,;12.23,-34.11,;13.56,-33.34,;13.56,-31.8,;14.89,-34.11,;16.23,-33.33,;16.23,-31.8,;17.56,-31.03,;18.9,-31.8,;18.9,-33.34,;17.57,-34.11,;18.04,-32.92,;17.05,-32.52,;10.91,-36.42,;10.9,-37.97,;9.57,-35.66,;8.25,-36.42,;6.91,-35.66,;6.91,-34.11,;5.6,-33.36,;8.25,-33.34,;8.25,-31.83,;9.57,-34.11,)|

BDBM50538208

Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1cccc(Cl)c1 |r,wU:9.8,(59.08,-25.57,;59.08,-24.06,;60.42,-23.29,;60.41,-21.74,;59.07,-20.98,;59.07,-19.44,;60.41,-18.66,;60.4,-17.12,;61.74,-19.43,;63.07,-18.66,;63.07,-17.12,;64.4,-16.35,;65.74,-17.12,;65.74,-18.66,;64.41,-19.43,;64.89,-18.24,;63.9,-17.85,;57.75,-21.75,;57.75,-23.29,;56.42,-20.98,;55.09,-21.75,;53.75,-20.99,;53.75,-19.44,;55.09,-18.67,;55.09,-17.16,;56.42,-19.44,)|

BDBM50538209

Fc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)c(c1)-c1ccc(Cl)c(Cl)c1 |r,wU:9.8,(34.72,-25.63,;34.72,-24.12,;36.06,-23.35,;36.06,-21.8,;34.72,-21.03,;34.71,-19.49,;36.05,-18.72,;36.05,-17.18,;37.38,-19.48,;38.72,-18.71,;38.71,-17.18,;40.05,-16.4,;41.39,-17.17,;41.39,-18.72,;40.05,-19.48,;40.53,-18.3,;39.54,-17.9,;33.39,-21.8,;33.39,-23.35,;32.06,-21.03,;30.74,-21.8,;29.4,-21.04,;29.39,-19.49,;28.09,-18.74,;30.73,-18.72,;30.74,-17.21,;32.06,-19.49,)|

BDBM50538210

Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1cc(F)c(F)c(F)c1

BDBM50538211

Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(Cl)c(Cl)c1

BDBM50538212

COc1ccc(cc1)-c1cc(F)ccc1NC(=O)OCC1CCNCC1

BDBM50538213

Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(cc1)C#N

BDBM50538214

Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(Br)cc1

BDBM50538215

Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccc(Cl)cc1

BDBM50538216

Fc1ccc(cc1)-c1cc(F)ccc1NC(=O)OCC1CCNCC1

BDBM50538217

Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccccc1Cl

BDBM50538218

Fc1ccc(NC(=O)OCC2CCNCC2)c(c1)-c1ccccc1

BDBM50538219

[H][C@]12CC[N@+](C)(CC1)C[C@@H]2OC(=O)Nc1ccccc1-c1ccccc1

BDBM50538190

Fc1cc(cc(F)c1F)-c1ccccc1NC(=O)OCC1CCNCC1

BDBM50538191

Clc1ccc(cc1)-c1ccccc1NC(=O)OCC1CCNCC1

BDBM50538192

O=C(Nc1ccccc1-c1ccccc1)OCC1CCNCC1

BDBM50538193

O=C(Nc1ccccc1-c1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:16.17,(15.76,-8.02,;15.77,-9.56,;14.44,-10.33,;14.44,-11.87,;15.78,-12.63,;15.78,-14.18,;14.44,-14.96,;13.11,-14.18,;13.11,-12.64,;11.78,-11.87,;11.78,-10.33,;10.45,-9.56,;9.12,-10.33,;9.12,-11.88,;10.46,-12.64,;17.1,-10.32,;18.44,-9.55,;18.42,-8.01,;19.76,-7.24,;21.1,-8.01,;21.1,-9.55,;19.77,-10.32,;19.1,-8.91,;20.52,-8.56,)|

BDBM50337879

O=C(Nc1ccccc1-c1ccccc1)OC1CCNCC1

BDBM50538306

CC1(C)C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)c2ccccc12

BDBM50538307

C[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12

BDBM50538308

CN(C)c1ccc(C=CC=Cc2cc(C)[n+](CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)c(C)c2)cc1

BDBM50538309

CN(C)c1ccc(C=CC=Cc2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1

BDBM50538310

C[N+]1=C(C=CC=CC=C2N(CCCCCC(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12

BDBM50538311

CC1(C)C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccccc12

BDBM50538312

CC1(C)C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)c2ccc(cc12)S(O)(=O)=O

BDBM50538313

CC1(C)C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O

BDBM50538314

CC1(C)C(=C/C=C/C=C/C2=[N+](CCCCS([O-])(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)C(=O)NCCNC(=O)CCc2cn(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)cn2)c2ccc(cc12)S(O)(=O)=O

BDBM50538315

NCc1cc(cc(c1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50538316

CC1(C)C(=C/C=C/C=C/C2=[N+](CCCCS(O)(=O)=O)c3ccccc3C2(C)C)N(CCCCCC(=O)NCc2cc(cc(c2)C(=O)NCCN2CCN(CCCCC3CCN(CC(=O)N4c5ccccc5NC(=O)c5ccccc45)CC3)CC2)C(=O)NCCN2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccc(cc12)S([O-])(=O)=O

BDBM50538317

NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50538325

F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCOCCOCCOCCOCCOCCOCCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,74|

BDBM50401040

CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC3CCN(CCCC(=O)c4ccccc4C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(39.75,-15.81,;41.08,-16.58,;42.41,-15.81,;42.41,-14.27,;41.08,-13.5,;43.75,-16.58,;43.74,-18.13,;45.08,-18.9,;46.42,-18.13,;47.76,-18.9,;47.76,-20.44,;46.43,-21.2,;46.44,-22.74,;47.77,-23.51,;49.11,-22.73,;49.1,-21.19,;50.42,-20.41,;51.77,-21.17,;49.65,-19.07,;51.19,-19.07,;47.77,-25.04,;47.37,-26.53,;46.28,-25.44,;49.1,-25.81,;49.1,-27.35,;47.76,-28.12,;46.43,-27.35,;45.1,-28.12,;43.76,-27.35,;42.43,-28.12,;41.11,-27.34,;39.77,-28.1,;39.77,-29.65,;38.43,-30.41,;37.1,-29.63,;35.76,-30.4,;34.43,-29.62,;34.44,-28.08,;33.09,-30.38,;33.09,-31.92,;31.76,-32.68,;30.42,-31.91,;30.43,-30.36,;31.77,-29.6,;31.78,-28.06,;41.1,-30.42,;42.44,-29.66,;49.1,-18.12,;50.44,-18.9,;51.79,-18.12,;51.79,-16.56,;50.44,-15.78,;49.1,-16.56,;47.75,-15.79,;46.41,-16.58,;45.08,-15.81,;53.12,-15.79,;53.12,-14.25,;54.46,-13.48,;54.46,-16.56,;55.79,-15.79,)|

BDBM50539742

Cc1nccc2-c3ccc(Br)cc3NC(C)(C)c12

BDBM50095653

O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2cccc(F)c2)CC1)c1ccccc1

BDBM50095656

Cc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1

BDBM50095657

Nc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1

BDBM50095665

O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccoc2)CC1)c1ccccc1

BDBM50095666

OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccncc2)CC1)c1ccccc1

BDBM50095667

OC(C1CCCC1)(C(=O)NC1CCN(CC2CCCCCCC2)CC1)c1ccccc1

BDBM50079714

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)[C@@]([#8])([#6]-1-[#6]-[#6]-[#6]-[#6]-1)c1ccccc1

BDBM50095668

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)[C@@]([#8])([#6@H]-1-[#6]-[#6]C(F)(F)[#6]-1)c1ccccc1

BDBM50095669

[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)[C@@]([#8])([#6@H]-1-[#6]-[#6]-[#6@H](F)-[#6]-1)c1ccccc1

BDBM50095658

O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(CC2CCCCC2)CC1)c1ccccc1

BDBM50095675

COc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1

BDBM50095662

Cc1cccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)c1

BDBM50095673

OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1

BDBM50095683

COc1cccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)c1

BDBM50095687

OCc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1

BDBM50095674

NCc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1

BDBM50095685

Nc1ccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)cc1F

BDBM50095659

Cc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)n1

BDBM50095661

OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1

BDBM50095686

[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)[C@@]([#8])([#6@H]-1-[#6]-[#6]-[#6@H](-[#8])-[#6]-1)c1ccccc1

BDBM50095654

[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)[C@@]([#8])([#6@@H]-1-[#6]-[#6]C(F)(F)[#6]-1)c1ccccc1

BDBM50095676

Cc1ccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cc1

BDBM50095689

OC(C1CCCC1)(C(=O)NC1CCN(CC2CCCCC2)CC1)c1ccccc1

BDBM50095690

O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(CC2CCCCCC2)CC1)c1ccccc1

BDBM50095672

OC(C1CCCC1)(C(=O)NC1CCN(CC2CCCCCC2)CC1)c1ccccc1

BDBM50095684

OC(C1CCCC1)(C(=O)NC1CCN(CC2CCCC2)CC1)c1ccccc1

BDBM50095664

Nc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1

BDBM50095678

OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccoc2)CC1)c1ccccc1

BDBM50095688

[#6]\[#6](-[#6])=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=O)[C@@]([#8])([#6@H]-1-[#6]-[#6]-[#6@@H](F)-[#6]-1)c1ccccc1

BDBM50095681

Cc1ccccc1CN1CCC(CC1)NC(=O)C(O)(C1CCCC1)c1ccccc1

BDBM50095670

O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccccc2)CC1)c1ccccc1

BDBM50095677

OC(C1CCCC1)(C(=O)NC1CCN(Cc2ccsc2)CC1)c1ccccc1

BDBM50095680

Cc1cc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)cs1

BDBM50095679

Oc1cccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1

BDBM50095691

Nc1ccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)nc1

BDBM50095663

OC(C1CCCC1)(C(=O)NC1CCN(Cc2cccnc2)CC1)c1ccccc1

BDBM50095682

O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccccc1

BDBM50095671

O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCN(Cc2ccsc2)CC1)c1ccccc1

BDBM50095655

Nc1ccc(CN2CCC(CC2)NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)cc1

BDBM50095660

Cc1cccc(CN2CCC(CC2)NC(=O)C(O)(C2CCCC2)c2ccccc2)n1

BDBM50540457

C[N+](C)(C)C[C@@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1

BDBM50540458

C[N+](C)(C)CC1COCC(O1)(C1CCCCC1)c1ccccc1

BDBM50540459

C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccc(cc1)-c1ccccc1

BDBM50540460

C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccc(cc1)-c1ccccc1

BDBM50540461

C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccc(Sc2ccccc2)cc1

BDBM50540462

C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccc(Sc2ccccc2)cc1

BDBM50540463

C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccc(cc1)[S+]([O-])c1ccccc1

BDBM50540464

C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccc(cc1)[S+]([O-])c1ccccc1

BDBM50540465

C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccc(cc1)S(=O)(=O)c1ccccc1

BDBM50540466

C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccc(cc1)S(=O)(=O)c1ccccc1

BDBM50540467

C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccccc1

BDBM50540468

C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccccc1

BDBM50540469

C[N+](C)(C)C[C@@H]1COC(CO1)(c1ccccc1)c1ccccc1

BDBM50540470

C[N+](C)(C)C[C@@H]1CO[C@](CO1)(C1CCCCC1)c1ccccc1

BDBM50540471

C[N+](C)(C)C[C@@H]1CO[C@@](CO1)(C1CCCCC1)c1ccccc1

BDBM50540472

C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)C(c1ccccc1)c1ccccc1

BDBM50540473

C[N+](C)(C)C[C@@H]1CO[C@H](CO1)C(c1ccccc1)c1ccccc1

BDBM50540474

C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(cc1)-c1ccccc1

BDBM50540475

C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(cc1)-c1ccccc1

BDBM50540476

C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(Cc2ccccc2)cc1

BDBM50540477

C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(Cc2ccccc2)cc1

BDBM50540478

C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(Sc2ccccc2)cc1

BDBM50540479

C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(Sc2ccccc2)cc1

BDBM50540480

C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(cc1)[S+]([O-])c1ccccc1

BDBM50540481

C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(cc1)[S+]([O-])c1ccccc1

BDBM50540482

C[N+](C)(C)C[C@@H]1CO[C@@H](CO1)c1ccc(cc1)S(=O)(=O)c1ccccc1

BDBM50540483

C[N+](C)(C)C[C@@H]1CO[C@H](CO1)c1ccc(cc1)S(=O)(=O)c1ccccc1

BDBM50540484

C[N+](C)(C)C[C@@H]1CO[C@H]([C@@H](O1)c1ccccc1)c1ccccc1

BDBM50540485

C[N+](C)(C)C[C@@H]1CO[C@@H]([C@H](O1)c1ccccc1)c1ccccc1

BDBM50540486

C[N+](C)(C)C[C@@H]1CO[C@H]([C@H](O1)c1ccccc1)c1ccccc1

BDBM50540487

C[N+](C)(C)C[C@@H]1CO[C@H](c2ccccc2)C(O1)(c1ccccc1)c1ccccc1

BDBM50540488

C[N+](C)(C)C[C@@H]1CO[C@@H](c2ccccc2)C(O1)(c1ccccc1)c1ccccc1

BDBM50540489

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(O)(c1ccccc1)c1ccccc1)[N+]21CCCC1

BDBM50540490

C[N+](C)(C)C[C@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1

BDBM50540491

CN(C)CC1COCC(O1)(C1CCCCC1)c1ccccc1

BDBM50540492

CN(C)C[C@@H]1COC[C@@](O1)(C1CCCCC1)c1ccccc1 |r|

BDBM50540493

CN(C)C[C@H]1COC[C@](O1)(C1CCCCC1)c1ccccc1 |r|

BDBM50540494

C[N+](C)(C)C[C@@H]1COC[C@@](O1)(C1CCCCC1)c1ccccc1 |r|

BDBM50099889

C=Cc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1

BDBM50099888

CCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1

BDBM50099891

FC(F)(F)c1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1

BDBM50099894

CCCc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1

BDBM50099895

C(N1CCN(CC1)c1ccc(cc1)-c1ccccc1)c1c[nH]c2ncccc12

BDBM50546065

COc1nnc2sc(C(=O)NC3CN(C3)c3ncc(cn3)C(F)(F)F)c(N)c2c1C

BDBM50105708

Clc1cc(CO\N=C\C2C[NH+]3CCC2C3)on1

BDBM50105718

COc1cc(CO\N=C2/C[NH+]3CCC2CC3)on1 |(15.86,.57,;15.72,-.95,;14.32,-1.59,;12.96,-.84,;11.86,-1.9,;10.38,-1.46,;9.27,-2.51,;7.8,-2.07,;6.53,-2.91,;6.58,-4.46,;5.28,-5.25,;4.18,-4.16,;5.66,-3.76,;5.25,-2.27,;3.88,-2.99,;3.92,-4.53,;12.52,-3.3,;14.02,-3.09,)|

BDBM50105713

N#Cc1cc(CO\N=C2/C[NH+]3CCC2CC3)on1 |(16.53,-.26,;15.13,-.92,;13.75,-1.57,;12.38,-.82,;11.28,-1.87,;9.79,-1.43,;8.68,-2.49,;7.2,-2.05,;5.93,-2.9,;5.97,-4.43,;4.67,-5.24,;3.31,-4.52,;3.27,-2.97,;4.64,-2.24,;5.06,-3.74,;3.57,-4.15,;11.94,-3.27,;13.44,-3.08,)|

BDBM50105709

N#Cc1cc(CO\N=C\C2C[NH+]3CCC2CC3)on1 |(18.63,-2.27,;17.13,-1.98,;15.61,-1.7,;14.49,-2.76,;13.14,-2.01,;11.82,-2.81,;10.47,-2.06,;9.15,-2.85,;7.8,-2.11,;6.48,-2.9,;6.53,-4.44,;5.22,-5.25,;4.44,-3.9,;5.62,-3.75,;5.21,-2.25,;3.82,-2.97,;3.86,-4.52,;13.46,-.49,;14.96,-.31,)|

BDBM50105712

Clc1cc(CO\N=C2/C[NH+]3CCC2C3)on1

BDBM50105717

COc1cc(CO\N=C2/C[NH+]3CCC2C3)on1

BDBM50105715

Brc1cc(CO\N=C\C2C[NH+]3CCC2C3)on1

BDBM50105722

N#Cc1cc(CO\N=C2/C[NH+]3CCC2C3)on1

BDBM50105716

Brc1cc(CO\N=C2/C[NH+]3CCC2C3)on1

BDBM50105710

Clc1cc(CO\N=C2/C[NH+]3CCC2CC3)on1 |(15.7,-.91,;14.31,-1.57,;12.96,-.82,;11.85,-1.87,;10.37,-1.43,;9.26,-2.49,;7.78,-2.05,;6.51,-2.89,;6.56,-4.43,;5.26,-5.23,;4.16,-4.14,;5.65,-3.74,;5.24,-2.24,;3.85,-2.96,;3.89,-4.51,;12.52,-3.26,;14.02,-3.07,)|

BDBM50105711

N#Cc1cc(CO\N=C\C2C[NH+]3CCC2C3)on1

BDBM50105720

COc1cc(CO\N=C\C2C[NH+]3CCC2C3)on1

BDBM50105719

Clc1cc(CO\N=C\C2C[NH+]3CCC2CC3)on1 |(17.13,-1.98,;15.61,-1.7,;14.49,-2.76,;13.14,-2.01,;11.82,-2.81,;10.47,-2.06,;9.15,-2.85,;7.8,-2.11,;6.48,-2.9,;6.53,-4.44,;5.22,-5.25,;3.86,-4.52,;3.82,-2.97,;5.21,-2.25,;5.61,-3.74,;4.13,-4.15,;13.46,-.49,;14.96,-.31,)|

BDBM50105714

COc1cc(CO\N=C\C2C[NH+]3CCC2CC3)on1 |(18.11,-.82,;17.11,-1.99,;15.6,-1.7,;14.48,-2.76,;13.13,-2.01,;11.82,-2.8,;10.46,-2.06,;9.14,-2.85,;7.79,-2.11,;6.48,-2.9,;6.53,-4.44,;5.22,-5.24,;4.12,-4.15,;5.62,-3.75,;5.2,-2.25,;3.82,-2.97,;3.85,-4.52,;13.45,-.49,;14.95,-.31,)|

BDBM50105721

Brc1cc(CO\N=C2/C[NH+]3CCC2CC3)on1 |(15.66,-.91,;14.26,-1.57,;12.91,-.82,;11.8,-1.87,;10.33,-1.43,;9.21,-2.49,;7.73,-2.05,;6.47,-2.89,;6.51,-4.43,;5.21,-5.23,;4.12,-4.14,;5.6,-3.74,;5.19,-2.24,;3.81,-2.96,;3.85,-4.51,;12.47,-3.26,;13.98,-3.07,)|

BDBM50105707

Brc1cc(CO\N=C\C2C[NH+]3CCC2CC3)on1 |(17.13,-1.98,;15.61,-1.7,;14.49,-2.76,;13.14,-2.01,;11.82,-2.81,;10.47,-2.06,;9.15,-2.85,;7.8,-2.11,;6.48,-2.9,;6.53,-4.44,;5.22,-5.25,;4.44,-3.9,;5.61,-3.74,;5.21,-2.25,;3.82,-2.97,;3.86,-4.52,;13.46,-.49,;14.96,-.31,)|

BDBM50106485

COc1ccccc1CN1CCC(CC1)C1CCN(CCCCCCCCN2CCC(CC2)C2CCN(Cc3ccccc3OC)CC2)CC1

BDBM50106486

COc1ccccc1CN1CCC(CC1)C1CCN(CC1)C(=O)CCCCCCC(=O)N1CCC(CC1)C1CCN(Cc2ccccc2OC)CC1

BDBM50107696

CN1CCC=C(C1)c1nsnc1OCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:31|

BDBM50107697

CN1CCC=C(C1)c1nsnc1OCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:33|

BDBM50107698

CN1CCC=C(C1)c1nsnc1OCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:30|

BDBM50107699

CN1CCC=C(C1)c1nsnc1SCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:29|

BDBM50107701

CN1CCC=C(C1)c1nsnc1SCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:28|

BDBM50107702

CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:32|

BDBM50107703

CN1CCC=C(C1)c1nsnc1OCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:36|

BDBM50107704

CN1CCC=C(C1)c1nsnc1SCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:30|

BDBM50107705

CN1CCC=C(C1)c1nsnc1SCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:31|

BDBM50107707

CN1CCC=C(C1)c1nsnc1SCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:24|

BDBM50107706

CN1CCC=C(C1)c1nsnc1SCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:27|

BDBM50107708

CN1CCC=C(C1)c1nsnc1OCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:28|

BDBM50107710

CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:34|

BDBM50107711

CN1CCC=C(C1)c1nsnc1SCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:26|

BDBM50107709

CN1CCC=C(C1)c1nsnc1SCCCCCCCCCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:33|

BDBM50107713

CN1CCC=C(C1)c1nsnc1OCCOCCOCCOCCOCCOCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:39|

BDBM50107715

CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:34|

BDBM50107712

CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:32|

BDBM50107717

CN1CCC=C(C1)c1nsnc1SCCCSc1nsnc1C1=CCCN(C)C1 |c:4,t:25|

BDBM50107716

CN1CCC=C(C1)c1nsnc1OCCOCCOc1nsnc1C1=CCCN(C)C1 |c:4,t:27|

BDBM50548708

CN(C)CC\C=C\c1cccnc1

BDBM50548714

C1CCCCCCC[n+]2cccc(CCCCCCCCCCCCCC[n+]3cccc(CCCCCC1)c3)c2

BDBM50548715

C1CCCCCCC[n+]2cccc(CCCCCCCCCCCCC[n+]3cccc(CCCCCC1)c3)c2

BDBM50548716

C1CCCCCCC[n+]2cccc(CCCCCCCCCCCC[n+]3cccc(CCCCCC1)c3)c2

BDBM50548717

C1CCCCCCc2ccc[n+](CCCCCCCCCCCCCc3ccc[n+](CCCCCC1)c3)c2

BDBM50548718

C1CCCCCCc2ccc[n+](CCCCCCCCCCCCc3ccc[n+](CCCCCC1)c3)c2

BDBM50548719

C1CCCCCC[n+]2cccc(CCCCCCCCCCCC[n+]3cccc(CCCCC1)c3)c2

BDBM50548757

Fc1cccc(CNC(=O)CCN2CCCc3ccccc23)c1

BDBM50548758

Cn1ccc(NC(=O)CCN2CCCc3ccccc23)n1

BDBM50548759

O=C(CCN1CCCc2ccccc12)NCc1cccs1

BDBM50548760

O=C(CCN1CCCc2ccccc12)NCc1ccco1

BDBM50548761

O=C(CCN1CCCc2ccccc12)Nc1cccc2cccnc12

BDBM50548762

Cn1ccc2c(NC(=O)CCN3CCCc4ccccc34)cccc12

BDBM50548763

O=C(CCN1CCCc2ccccc12)Nc1cccnn1

BDBM50548764

O=C(CCN1CCCc2ccccc12)Nc1cccc2ccccc12

BDBM50548765

Clc1ccc(NC(=O)CCN2CCCc3ccccc23)cc1

BDBM50548766

O=C(CCN1CCCc2ccccc12)Nc1nccs1

BDBM50548767

O=C(CCN1CCCc2ccccc12)NC1CCCC1

BDBM50548768

O=C(CCN1CCCc2ccccc12)NC1CCCCC1

BDBM50548769

O=C(CCN1CCCc2ccccc12)Nc1ccccc1

BDBM50548770

O=C(CCN1CCCc2ccccc12)N1CCCC1

BDBM50548771

CC1CCN(CC1)C(=O)CCN1CCCc2ccccc12

BDBM50548772

CC1CCCN(C1)C(=O)CCN1CCCc2ccccc12

BDBM50548773

COC1CN(C1)C(=O)CCN1CCCc2ccccc12

BDBM50548774

O=C(CCN1CCCc2ccccc12)N1CCC1

BDBM50548775

OC[C@@H]1CCCN1C(=O)CCN1CCCc2ccccc12 |r|

BDBM50548776

OCC1CCCN1C(=O)CCN1CCCc2ccccc12

BDBM50548777

OC1CCN(C1)C(=O)CCN1CCCc2ccccc12

BDBM50548778

OC(=O)C1CCCN1C(=O)CCN1CCCc2ccccc12

BDBM50548779

Oc1ccc(NC(=O)CCN2CCCc3ccccc23)c(F)c1

BDBM50548780

OCC1CCCN(C1)C(=O)CCN1CCCc2ccccc12

BDBM50548781

OCC1CCCCN1C(=O)CCN1CCCc2ccccc12

BDBM50548782

OC1CCN(CC1)C(=O)CCN1CCCc2ccccc12

BDBM50548783

OC1CCCN(C1)C(=O)CCN1CCCc2ccccc12

BDBM50548784

CC1CCCC(C)N1C(=O)CCN1CCCc2ccccc12

BDBM50548785

C[C@H]1CCC[C@@H](C)N1C(=O)CCN1CCCc2ccccc12 |r|

BDBM50548786

CC1CCCCN1C(=O)CCN1CCCc2ccccc12

BDBM50548787

O=C(CN1CCCc2cnccc12)N1CCCC1

BDBM50548788

Fc1ccc2CCN(CC(=O)N3CCCC3)c2c1

BDBM50548789

O=C(CN1CCCc2ccccc12)N1CCCC1

BDBM50548790

CC1CCc2ccccc2N1CC(=O)N1CCCC1

BDBM50548791

CC1Cc2ccccc2N1CC(=O)N1CCCC1

BDBM50548792

Cc1ccc2N(CC(=O)N3CCCCC3)CCCc2c1

BDBM50548793

O=C(CN1CCCc2cnccc12)N1CCCCC1

BDBM50548794

CCn1c2ccccc2c2ccc(NCC(=O)N3CCCCC3)cc12

BDBM50548795

O=C(CN1CCCc2ccccc12)N1CCCCC1

BDBM50548796

CC1CCc2ccccc2N1CC(=O)N1CCCCC1

BDBM50548797

Oc1ccc2CCCN(CC(=O)N3CCCCC3)c2c1

BDBM50548798

CC1Cc2ccccc2N1CC(=O)N1CCCCC1

BDBM50548799

Brc1ccc2CCN(CC(=O)N3CCCCC3)c2c1

BDBM50548800

CC(C)(C)OC(=O)N1CCN(CC(=O)n2c3ccccc3c3ccccc23)CC1

BDBM50548801

CC1CCCCN1CC(=O)n1c2ccccc2c2ccccc12

BDBM50549891

O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:23:19.20|

BDBM50549894

O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2CCC1CN2c1ccc(cn1)C#N |THB:24:23:16.17:20.19|

BDBM50549895

O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CC2COCC(C1)N2c1ccc(cn1)C#N |TLB:1:16:19.20.21:24|

BDBM50549896

O=C(CCS(=O)(=O)c1cccc2ncsc12)N1C2CCC1CN(C2)c1ccc(cn1)C#N |THB:24:22:16:18.19|

BDBM50549897

C[C@H]1CN(C[C@H](C)N1C(=O)CCS(=O)(=O)c1cccc2ncsc12)c1ccc(cn1)C#N |r|

BDBM50549898

C[C@@H]1CN(C[C@@H](C)N1c1ccc(cn1)C#N)C(=O)CCS(=O)(=O)c1cccc2ncsc12 |r|

BDBM50549899

C[C@H]1CN([C@H](C)CN1C(=O)CCS(=O)(=O)c1cccc2ncsc12)c1ccc(cn1)C#N |r|

BDBM50549900

CC1(C)CN(CCN1C(=O)CCS(=O)(=O)c1cccc2ncsc12)c1ccc(cn1)C#N

BDBM50549901

CC1CN(CCN1c1ccc(cn1)C#N)C(=O)CCS(=O)(=O)c1cccc2ncsc12

BDBM50549902

CC1CN(CCN1C(=O)CCS(=O)(=O)c1cccc2ncsc12)c1ccc(cn1)C#N

BDBM50549903

O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCC(CC1)c1ccc(cn1)C#N

BDBM50549904

O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCC(=CC1)c1ccc(cn1)C#N |c:21|

BDBM50549905

Cc1ccncc1N1CCN(CC1)C(=O)CCS(=O)(=O)c1cccc2ncsc12

BDBM50549906

Clc1ccc(nc1)N1CCN(CC1)C(=O)CCS(=O)(=O)c1cccc2ncsc12

BDBM50549907

FC(F)(F)c1ccc(nc1)N1CCN(CC1)C(=O)CCS(=O)(=O)c1cccc2ncsc12

BDBM50549908

O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(CC1)c1ccc(cn1)C#N

BDBM50549909

O=C(CCS(=O)(=O)c1cccc2ncsc12)N1CCN(CC1)c1ccnc(c1)C#N

BDBM50549910

FC(F)(F)c1cc(ccn1)N1CCN(CC1)C(=O)CCS(=O)(=O)c1cccc2ncsc12

BDBM50549911

Cc1cncc(Cl)c1N1CCN(CC1)C(=O)CCS(=O)(=O)c1cccc2ncsc12

BDBM50549912

Fc1cnccc1N1CCN(CC1)C(=O)CCS(=O)(=O)c1cccc2ncsc12

BDBM50549913

C[C@H]1CN(CCN1C(=O)CCCS(=O)(=O)c1cccc2ncsc12)c1ncc(F)cc1C |r|

BDBM50549914

C[C@H]1CN(CCN1C(=O)CCS(=O)(=O)c1cccc2ncsc12)c1ncc(F)cc1C |r|

BDBM50549915

C[C@H]1CN(CCN1C(=O)CNCc1cccc2ncsc12)c1ncc(F)cc1C |r|

BDBM50549916

C[C@H]1CN(CCN1C(=O)COCc1cccc2ncsc12)c1ncc(F)cc1C |r|

BDBM50549917

C[C@H]1CN(CCN1C(=O)CCCc1cccc2nc(N)sc12)c1ncc(F)cc1C |r|

BDBM50549918

C[C@H]1CN(CCN1C(=O)CCCc1cccc2ncoc12)c1ncc(F)cc1C |r|

BDBM50549919

C[C@H]1CN(CCN1C(=O)CCCc1cccc2ncsc12)c1ncc(F)cc1C |r|

BDBM50549920

C[C@H]1CN(CCN1C(=O)CCCc1cccc2ncc(CO)cc12)c1ncc(F)cc1C |r|

BDBM50549921

C[C@H]1CN(CCN1C(=O)CCCc1cccc2ncncc12)c1ncc(F)cc1C |r|

BDBM50549922

C[C@H]1CN(CCN1C(=O)CCCc1cccc2cncnc12)c1ncc(F)cc1C |r|

BDBM50549892

C[C@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C |r|

BDBM50549893

C[C@@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C |r|

BDBM50549923

Cc1cc(F)cnc1N1CCCN(CC1)C(=O)CCCc1cccc2ncccc12

BDBM50549924

C[C@@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ccncc1Cl |r|

BDBM50549925

C[C@@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1Cl |r|

BDBM50549926

C[C@@H]1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1cnccc1C |r|

BDBM50549927

Fc1ccc(nc1)N1CC2CC1CN2C(=O)CCCc1cccc2ncccc12

BDBM50549928

Fc1ccc(nc1)N1CC2(CN(C2)C(=O)CCCc2cccc3ncccc23)C1

BDBM50549929

CC1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ncc(F)cc1C

BDBM50549930

CC1CN(CCN1C(=O)CCCc1cccc2ncccc12)c1ccc(F)cn1

BDBM50549931

Cc1cc(F)cnc1N1CCN(CC1)C(=O)CCCc1cccc2ncccc12

BDBM50549932

CC1CN(CCN1c1ncc(F)cc1C)C(=O)CCCc1cccc2ncccc12

BDBM50549933

CC1CN(CCN1c1ccc(F)cn1)C(=O)CCCc1cccc2ncccc12

BDBM50549934

Fc1ccc(nc1)N1CCN(CC1)C(=O)CCCc1cccc2ncccc12

BDBM50549935

COc1cc(ccn1)N1CCN(CC1)C(=O)CCCc1cccc2ncccc12

BDBM50549936

O=C(CCCc1cccc2ncccc12)N1CCN(CC1)c1ccnc(c1)C#N

BDBM50549937

O=C(CCCc1cccc2ncccc12)N1CCN(CC1)c1ccncc1C#N

BDBM50362394

O=C(CCNS(=O)(=O)c1cccc2ncccc12)N1CCN(CC1)c1ccncc1

BDBM50549938

Fc1cnccc1N1CCN(CC1)C(=O)CCCc1cccc2ncccc12

BDBM50549939

O=C(CCCc1cccc2ncccc12)N1CCN(CC1)c1ccncc1

BDBM50111624

C[C@H]1CN(CCCCc2ccc3n(C)c(=O)sc3c2)C[C@@H](C)N1

BDBM50111627

Cn1c2ccc(CCN3CCN(Cc4ccccc4)CC3)cc2sc1=O

BDBM50111634

Cn1c2ccc(CCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O

BDBM50111625

Cn1c2ccc(CCCCN3CCN(Cc4ccccc4)CC3)cc2sc1=O

BDBM50111635

C[C@H]1CN(CCc2ccc3n(C)c(=O)sc3c2)C[C@@H](C)N1

BDBM50111628

Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2sc1=O

BDBM50111633

Cn1c2ccc(CCCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)cc2sc1=O

BDBM50111626

Cn1c2ccc(CCN3CCC(CC3)c3ccccc3)cc2sc1=O

BDBM50111631

Cn1c2ccc(CCN3CCC(Cc4ccccc4)CC3)cc2sc1=O

BDBM50111630

Cn1c2ccc(CCCCN3CCC(Cc4ccccc4)CC3)cc2sc1=O

BDBM50112329

COC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:28:27:4.10.9:6.7,11:10:27:6.7,THB:2:4:27:6.7|

BDBM50112330

CCOC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:29:28:5.11.10:7.8,12:11:28:7.8,THB:3:5:28:7.8|

BDBM50112327

CC(C)OC(=O)C1C2CCC(CC1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:30:29:6.12.11:8.9,13:12:29:8.9,THB:4:6:29:8.9|

BDBM50112328

CN1C2CCC1C(C(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:0:1:6.7.8:4.3,25:6:1:4.3,THB:9:7:1:4.3|

BDBM50552915

C[C@H](CN1CCC[C@@H]1C)NC(=O)c1ccc(cc1)-c1noc(n1)C(F)(F)F |r|

BDBM50557697

Cn1cc(cn1)-c1ccc(Cc2cc(nn3cccc23)C(=O)N[C@H]2CCCC[C@@H]2O)cc1 |r|

BDBM50557698

Brc1ccc(Cc2cc(nn3cccc23)C(=O)NCC2CCCO2)cc1

BDBM50557699

Cn1cc(cn1)-c1ccc(Cc2cc(nn3cccc23)C(=O)NC2CCOCC2)cc1

BDBM50557700

O[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cc2ccc(cc2)-c2cccnc2)c2cccn2n1 |r|

BDBM50557701

O[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cc2ccc(cc2)-c2ccncc2)c2cccn2n1 |r|

BDBM50557702

CC(C)(O)CNC(=O)c1cc(Cc2ccc(cc2)-c2ccncc2)c2cccn2n1

BDBM50557703

Cn1cc(cn1)-c1ccc(Cc2cc(nn3cccc23)C(=O)NCC2CCCO2)cc1

BDBM50557704

O[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(cc2)-c2ccnc(Cl)c2)c2cccn2n1 |r|

BDBM50557705

O[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cc2ccc(cc2)-c2cncc(c2)C#N)c2cccn2n1 |r|

BDBM50557706

Cc1cccc(n1)-c1ccc(Cc2cc(nn3cccc23)C(=O)N[C@H]2CCCC[C@@H]2O)cc1 |r|

BDBM50557707

NC(=O)c1cncc(c1)-c1ccc(Cc2cc(nn3cccc23)C(=O)N[C@H]2CCCC[C@@H]2O)cc1 |r|

BDBM50557708

Cc1cccc(n1)-c1ccc(Cc2cc(nn3cccc23)C(=O)N[C@@H]2CCCC[C@H]2O)cc1 |r|

BDBM50557709

COc1ccc(cn1)-c1ccc(Cc2cc(nn3cccc23)C(=O)N[C@@H]2CCCC[C@H]2O)cc1 |r|

BDBM50557710

O[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cc2ccc(cc2)-c2ccc(F)cn2)c2cccn2n1 |r|

BDBM50557933

Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)Cc3ccc4N5CCC6OC7CC[N+]8=C(C7=CC6=C5C(C)(C)c4c3)C(C)(C)c3cc(ccc83)S([O-])(=O)=O)CC1)c1ccccc1NC2=O |c:41,44,47|

BDBM50557934

Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCNC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(N)c(c4oc4c(c(=N)ccc34)S(O)(=O)=O)S(O)(=O)=O)CC1)c1ccccc1NC2=O |(36.93,-9.73,;38.19,-8.84,;39.64,-9.34,;40.57,-8.11,;39.69,-6.85,;38.21,-7.3,;36.93,-6.44,;35.6,-7.21,;35.6,-8.75,;34.27,-6.44,;32.93,-7.21,;32.93,-8.75,;31.6,-9.52,;30.26,-8.75,;28.93,-9.52,;27.6,-8.76,;26.27,-9.53,;24.93,-8.77,;23.6,-9.54,;22.26,-8.77,;20.93,-9.55,;19.6,-8.78,;18.27,-9.56,;16.93,-8.79,;15.6,-9.57,;15.6,-11.12,;16.95,-11.89,;14.27,-11.9,;12.92,-11.13,;11.59,-11.91,;11.58,-13.46,;12.93,-14.23,;14.27,-13.46,;12.93,-15.78,;14.27,-16.56,;12.51,-17.27,;10.25,-14.22,;10.25,-15.77,;11.58,-16.55,;11.58,-18.09,;10.24,-18.86,;10.23,-20.41,;8.9,-18.09,;8.9,-16.54,;7.56,-15.76,;7.57,-14.21,;6.26,-13.45,;6.26,-11.92,;4.92,-11.13,;7.59,-11.14,;8.92,-11.93,;8.91,-13.46,;4.91,-14.21,;3.57,-13.44,;5.74,-15.5,;4.13,-15.54,;7.54,-18.84,;6.22,-18.07,;8.31,-20.18,;6.77,-20.18,;30.26,-7.21,;31.6,-6.44,;36.83,-4.92,;35.36,-4.47,;35.01,-2.98,;36.14,-1.92,;37.61,-2.37,;37.95,-3.87,;39.48,-4.08,;40.24,-5.42,;41.78,-5.3,)|

BDBM50557935

CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c3ccc(cc3oc2c1)=[N+](C)C

BDBM50557936

Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50557937

CN(C)c1ccc(C=CC=Cc2cc(C)[n+](CCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)cn3)c(C)c2)cc1

BDBM50557938

Cc1cc(C=Cc2cc3CCCN4CCCc(c2)c34)cc(C)[n+]1CCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1

BDBM50557939

F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(C=Cc3ccc(OCC(=O)NCCCCCC(=O)NCCNC(=O)CCc4cn(CCCCC5CCN(CC(=O)N6c7ccccc7NC(=O)c7ccccc67)CC5)cn4)cc3)=[N+]12

BDBM50557940

CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)cn3)c3ccc(cc3oc2c1)=[N+](C)C

BDBM50557941

CN(C)c1ccc(\C=C\C=C\c2cc(C)[n+](CCN3CCN(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)CC3)c(C)c2)cc1

BDBM50538319

NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1

BDBM50557942

F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCCCC(=O)NCCCN3CCN(CC(=O)N4c5ccccc5NC(=O)c5cccnc45)CC3)=[N+]12 |c:17,t:15,63|

BDBM50558275

Cc1cnc(cc1Cc1ccc(cc1)-c1cocn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|

BDBM50558276

O[C@H]1COCC[C@@H]1NC(=O)c1cc(Cc2ccc(cc2)-n2cccn2)ccn1 |r|

BDBM50558277

Cc1cnc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCCC[C@@H]1O |r|

BDBM50558278

Cc1cc(N)c(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|

BDBM50558279

Cc1ncc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|

BDBM50558280

Cc1ccc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|

BDBM50558281

Cc1cc(F)c(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|

BDBM50558282

Cc1cnc(cc1Cc1ccc(cc1)-n1cccn1)C(=O)N[C@H]1CCOC[C@@H]1O |r|

BDBM50558283

CO[C@@H]1CCN(C1)c1ccc(Cc2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(=O)n(C)c2C)cc1 |r|

BDBM50558284

Cc1c(Cc2ccc(cc2)-c2cscn2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C |r|

BDBM50558285

Cc1c(Cc2ccc(cc2)-c2ccn(C)n2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C |r|

BDBM50558286

Cc1c(Cc2ccc(cc2)-c2cocn2)cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(=O)n1C |r|

BDBM50558287

Cc1c(Cc2ccc(cc2)-n2cccn2)cc(C(=O)N[C@H]2CCOC[C@@H]2O)c(=O)n1C |r|

BDBM50559171

CN(C)CC1CCOC1(c1ccccc1)c1ccccc1

BDBM94507

CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1

BDBM50104956

C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(cc1)C(F)(F)F

BDBM50124131

Cc1cc(N)cc(n1)N1CCc2ccccc2C1

BDBM50124142

CNc1ccnc(c1)N1CCc2ccccc2C1

BDBM50124134

Nc1cc(nc2CCCc12)N1CCc2ccccc2C1

BDBM50124145

OCCNc1ccnc(c1)N1CCc2ccccc2C1

BDBM50124137

CCc1cc(N)cc(n1)N1CCc2ccccc2C1

BDBM50124144

Nc1ccnc(c1)N1CCc2ccccc2C1

BDBM50124140

Nc1cc(CO)nc(c1)N1CCc2ccccc2C1

BDBM50124136

Cc1cnc(cc1NCCO)N1CCc2ccccc2C1

BDBM50124133

Cc1cnc(cc1N)N1CCc2ccccc2C1

BDBM50124139

CN(C)c1ccnc(c1)N1CCc2ccccc2C1

BDBM50124151

Cc1cc(NCCO)cc(n1)N1CCc2ccccc2C1

BDBM50127814

Nc1cc(ccn1)N1CCc2ccccc2C1

BDBM50127815

CC1CN(Cc2ccccc12)c1ccncc1

BDBM50127821

Clc1cccc2CCN(Cc12)c1ccncc1

BDBM50127823

OCCNc1cc(N2CCc3ccccc3C2)c2ccccc2n1

BDBM50127824

C1Cc2ccccc2CN1c1ccncc1

BDBM50127825

Clc1ccc2CCN(Cc2c1)c1ccncc1

BDBM50127826

Cc1cc(cc(NCCO)n1)N1CCc2ccccc2C1

BDBM50127813

Cc1cc(cc(NC(=O)CO)n1)N1CCc2ccccc2C1

BDBM50127812

Clc1cccc2CN(CCc12)c1ccncc1

BDBM50127818

CCOC(=O)C(=O)Nc1cc(cc(C)n1)N1CCc2ccccc2C1

BDBM50127827

C1Cc2ccccc2CN1c1ccnc2ccccc12

BDBM50127819

Cc1cc(cc(N)n1)N1CCc2ccccc2C1

BDBM50128241

CCOC(=O)C1CN2CC(CCC2COCc2ccccc2)C1=O |TLB:23:22:8:12.10.11,13:12:5.22.6:8,THB:3:5:8:12.10.11|

BDBM50128242

CCOC(=O)C1CN2CCCC(C2)C1=O |TLB:3:5:12:8.10.9,THB:14:13:12:8.10.9|

BDBM50128240

CCOC(=O)C1CN2CC(CCC2CN(C)C)C1=O |TLB:18:17:8:12.10.11,THB:3:5:8:12.10.11,13:12:5.17.6:8|

BDBM50129384

CC(C)(N)CC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1

BDBM50129397

CC1(CCN)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1

BDBM50129399

NCCC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1

BDBM50129389

O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)N1CCCNCC1)c1ccccc1

BDBM50129387

NC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1

BDBM50129385

NCCCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1

BDBM50129403

O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NCC1CCNCC1)c1ccccc1

BDBM50129391

NCC(=O)N1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1

BDBM50129400

NCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1

BDBM50129402

NCCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1

BDBM50129392

[#7]-[#6]\[#6]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)[C@@]([#8])([#6@@H]-1-[#6]-[#6]C(F)(F)[#6]-1)c1ccccc1

BDBM50129407

CNCCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1

BDBM50129394

CN(C)CCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1

BDBM50129409

NCC1CCN(C1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1

BDBM50129383

O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)N1CCNCC1)c1ccccc1

BDBM50129406

NCCCCC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1

BDBM50129393

CC1(N)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1

BDBM50129395

O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NC1CCNCC1)c1ccccc1

BDBM50129388

NCC1CCC(CC1)NC(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1 |wU:11.11,wD:13.20,11.12,(15.87,-1.73,;14.54,-.96,;13.21,-1.73,;13.21,-3.27,;11.88,-4.04,;10.55,-3.27,;10.53,-1.73,;11.88,-.96,;9.22,-4.04,;7.87,-3.27,;7.87,-1.73,;6.54,-4.04,;7.87,-4.81,;5.77,-5.37,;6.38,-6.79,;5.23,-7.82,;3.9,-7.03,;2.57,-6.26,;3.5,-8.52,;4.23,-5.53,;5.21,-3.27,;3.86,-4.04,;2.54,-3.27,;2.54,-1.73,;3.86,-.96,;5.21,-1.73,)|

BDBM50129404

NC1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1

BDBM50129398

NCCN1CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1

BDBM50129386

O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)Nc1ccc2CNCc2c1)c1ccccc1

BDBM50129408

NCc1ccc(NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)cc1

BDBM50129396

NCc1cccc(NC(=O)[C@@](O)([C@@H]2CCC(F)(F)C2)c2ccccc2)c1

BDBM50129405

O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)NCCC1CCNCC1)c1ccccc1

BDBM50129410

NCC1CCN(CC1)C(=O)[C@@](O)(C1CCCC1)c1ccccc1

BDBM50129401

O[C@@]([C@@H]1CCC(F)(F)C1)(C(=O)N1CCC(CCN2CCCCC2)CC1)c1ccccc1

BDBM50129390

CCC1(CCN)CCN(CC1)C(=O)[C@@](O)([C@@H]1CCC(F)(F)C1)c1ccccc1

BDBM50568249

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3nc[nH]c3C2=O)c(F)c1

BDBM50568250

Cn1cc2cc(ccc2n1)-c1ccc(CN2Cc3ncsc3C2=O)c(F)c1

BDBM50568251

Fc1cc(cc(F)c1CN1Cc2ncsc2C1=O)-c1ccc2ncccc2c1

BDBM50568252

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3sccc3C2=O)c(F)c1

BDBM50568253

Cn1cc2cc(ccc2n1)-c1cc(F)c(CN2Cc3sccc3C2=O)c(F)c1

BDBM50568254

Cn1cnc2ccc(cc12)-c1cc(F)c(CN2Cc3sccc3C2=O)c(F)c1

BDBM50568255

Cn1cc2c(cccc2n1)-c1ccc(CN2Cc3sccc3C2=O)c(F)c1

BDBM50568256

Cn1cc2cc(ccc2n1)-c1ccc(CN2Cc3sccc3C2=O)c(F)c1

BDBM50568257

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3ccsc3C2=O)c(F)c1

BDBM50568258

Cn1cc2cc(ccc2n1)-c1cc(F)c(CN2Cc3ccsc3C2=O)c(F)c1

BDBM50568259

Cn1cc(cn1)-c1ccc(CN2Cc3ccsc3C2=O)c(F)c1

BDBM50568260

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3ncoc3C2=O)c(F)c1

BDBM50568261

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3ocnc3C2=O)c(F)c1

BDBM50568262

Cn1cc2cc(ccc2n1)-c1cc(F)c(CN2Cc3occc3C2=O)c(F)c1

BDBM50568263

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3ccn(CC4CCCO4)c3C2=O)c(F)c1

BDBM50568264

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3ccn(CCCO)c3C2=O)c(F)c1

BDBM50568265

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3ccn(CCN4CCCC4)c3C2=O)c(F)c1

BDBM50568266

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3cnn(CC4CCCO4)c3C2=O)c(F)c1

BDBM50568267

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3cn(CC4CCCO4)nc3C2=O)c(F)c1

BDBM50568268

COCCn1ncc2CN(Cc3c(F)cc(cc3F)-c3cccc4nn(C)cc34)C(=O)c12

BDBM50568269

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3cnn(CCN4CCCC4)c3C2=O)c(F)c1

BDBM50568270

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3cn(CCN4CCCC4)nc3C2=O)c(F)c1

BDBM50568271

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2Cc3cnn(CCO)c3C2=O)c(F)c1

BDBM50568272

Cn1cc2cc(ccc2n1)-c1cc(F)c(CN2Cc3cnn(CC4CCCO4)c3C2=O)c(F)c1

BDBM50568273

Cc1nn(C)cc1-c1cc(F)c(CN2Cc3cnn(CC4CCCO4)c3C2=O)c(F)c1

BDBM50568274

Cn1cc2cccc(-c3cc(F)c(CN4Cc5cnn(CC6CCCO6)c5C4=O)c(F)c3)c2n1

BDBM50568275

Cc1cc(ccn1)-c1cc(F)c(CN2Cc3cnn(CC4CCCO4)c3C2=O)c(F)c1

BDBM50568276

Cc1[nH]cc2CN(Cc3c(F)cc(cc3F)-c3cccc4nn(C)cc34)C(=O)c12

BDBM50568830

C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|

BDBM50568831

CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1 |r|

BDBM50568832

C[C@H](NC(=O)[C@H](CCCCN)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1 |r|

BDBM50265996

CCC(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1

BDBM50525144

Nc1ccccc1C(=O)N1CCC(CC1)N1CCC(Cc2ccc(cc2)S(=O)(=O)c2cccc(Cl)c2)CC1

BDBM50568833

NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50568834

NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50568835

NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50568836

NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50568837

NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50568838

NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50568839

C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568840

CC(=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50568841

C[C@H](NC(=O)CNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568842

C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568843

C[C@H](NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568844

CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50568845

CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50568846

CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCNC(N)=N)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50568847

CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50568848

CC(=O)N[C@@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(N)=N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50568849

CC(=O)N[C@H](CCCN)C(=O)NC(=O)[C@H](CCCNC(N)=N)NCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50568850

N[C@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50568851

N[C@@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50568852

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568853

C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568854

C[C@H](NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568855

C[C@H](NC(=O)CNCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568856

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](N)CCCN

BDBM50568857

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O

BDBM50568858

C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O

BDBM50568859

CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCNC(N)=N)N[C@@H](CCCN)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50568860

N[C@H](CCCNC(N)=N)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50568861

NC(=N)NCCC[C@@H](NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(O)=O

BDBM50568862

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O

BDBM50568863

CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50568864

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O

BDBM50568865

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O

BDBM50568866

C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O

BDBM50568867

CC(=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)N[C@H](CCCN)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50568868

C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O

BDBM50568869

C[C@H](NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568870

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568871

C[C@H](NC(=O)CNCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568872

C[C@H](NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568873

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568874

C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NCC(=O)NC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568875

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O

BDBM50568876

CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50568877

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O

BDBM50568878

C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O

BDBM50568879

C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O

BDBM50568880

C[C@H](NC(=O)[C@@H](CCNC(N)=N)NCCN1CCN(CC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O

BDBM50568881

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O

BDBM50568882

C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O

BDBM50568883

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CCC(=O)NC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O

BDBM50568884

NC(=N)NCCCCC(=O)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50568885

NC(=N)NCCC[C@@H](NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(O)=O

BDBM50568886

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O

BDBM50568887

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O

BDBM50568888

C[C@H](NC(=O)[C@H](CCNC(N)=N)NC1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O

BDBM50568889

C[C@H](NC(=O)CNCCN1CCN(CC1)C(=O)CC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(C)=O

BDBM50568890

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O

BDBM50568891

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O

BDBM50568892

C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CC1)C(=O)CC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O

BDBM50568893

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O

BDBM50568894

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O

BDBM50568895

C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CC1)C(=O)CCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O

BDBM50568896

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)N[C@@H](CCCCN)C(=O)NC(C)=O

BDBM50568897

CC(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50568898

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O

BDBM50568899

C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@@H](CCCN)NC(C)=O

BDBM50568900

C[C@H](NC(=O)[C@H](CCNC(N)=N)NCCN1CCN(CC1)C(=O)CCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)NC(=O)[C@H](CCCN)NC(C)=O

BDBM50568901

CC(=O)NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H]1CC(=O)NCCC[C@H](N1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50568902

CC(=O)NC(=O)[C@H](CCNC(N)=N)NC(=O)[C@@H]1CC(=O)NCCC[C@H](N1)C(=O)NCCN1CCN(CCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1

BDBM50122054

Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1 |c:13|

BDBM50547386

CCc1ccc2Nc3ccc(Cl)cc3N=C(C3=C[C@H](C)N(C)CC3)c2c1 |r,t:15,17|

BDBM50547390

C[C@H]1C=C(CCN1C)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |r,c:2,t:9|

BDBM50547393

C[C@H]1C=C(CCN1C)C1=Nc2cc(C)ccc2Nc2ccc(F)cc12 |r,c:2,t:9|

BDBM50569110

CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:4,t:8|

BDBM50569114

CCN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:5,t:9|

BDBM50569115

CC(C)N1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12 |c:6,t:10|

BDBM50547398

CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |c:4,t:8|

BDBM50569111

CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(F)cc12 |c:4,t:8|

BDBM50569112

CN1CCC(=CC1)C1=Nc2cc(C)ccc2Nc2ccc(C)cc12 |c:4,t:8|

BDBM50569113

CCc1ccc2Nc3ccc(C)cc3N=C(C3=CCN(C)CC3)c2c1 |t:15,17|

BDBM50569116

COc1ccc2Nc3ccc(C)cc3N=C(C3=CCN(C)CC3)c2c1 |t:15,17|

BDBM50569117

CN1CCC(=CC1)C1=Nc2cc(F)ccc2Nc2ccc(Cl)cc12 |c:4,t:8|

BDBM50569118

Fc1ccc2Nc3ccc(Cl)cc3N=C(C3=CCNCC3)c2c1 |t:14,16|

BDBM50569119

Cc1ccc2Nc3ccc(F)cc3C(=Nc2c1)C1=CCNCC1 |c:14,t:20|

BDBM50577263

[H][C@@]12C[C@H](C[C@]1([H])CN(CC1CCOCC1)C2)Nc1ccc(nn1)-c1cc(F)cc(F)c1F |r|

BDBM50145683

C[C@H]1CN(CCN1[C@@H](CCC(F)(F)F)c1ccc(cc1)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C

BDBM50145685

COC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F

BDBM50145681

C[C@H]1CN(CCN1[C@@H](Cc1ccccc1)c1ccc(cc1)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C

BDBM50145684

CCC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F

BDBM50123435

C[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F

BDBM50145686

C[C@H]1CN(CCN1[C@@H](CC1CC1)c1ccc(cc1)C(F)(F)F)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C

BDBM50145682

CC[C@H](N1CCN(C[C@@H]1C)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F

BDBM50579346

Fc1cccc(c1)S(=O)(=O)n1ccc2c(nc3ccccc3c12)N1CCNCC1

BDBM50579806

CCS(=O)(=O)[C@@]1(CC[C@@](N=C1N)(CF)c2cc(ccc2F)NC(=O)c3cc4c(cn3)OC(O4)(F)F)C

BDBM50149713

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)N3)[C@@H]12

BDBM50149714

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H]([C@@H](O)C[C@H]3CCC(C)(C)N3C)[C@@H]12

BDBM50149715

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3C(CCC3CCC(C)(C)N3C)[C@@H]12

BDBM50149717

C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)[N+]3(C)C)[C@@H]12 |t:6|

BDBM50149721

C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)N4O3)[C@@H]12 |t:6|

BDBM50149723

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@H]([C@@H]12)C(=O)C[C@H]1CCC[C@H](C)N1C

BDBM50149725

C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)N3C)[C@@H]12 |t:6|

BDBM50149716

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3\C(=C\C[C@H]3CCC[C@H](C)N3C)[C@@H]12

BDBM50149720

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3C)[C@@H]12

BDBM50149718

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@H](C)N3)[C@@H]12

BDBM50149722

CCN1C(CCC2[C@H]3[C@H](C)OC(=O)[C@H]3C[C@H]3CCCC[C@H]23)CCC1(C)C

BDBM50149724

C[C@@H]1OC(=O)[C@H]2C=C3CCCC[C@@H]3[C@@H]([C@@H]3CC4CCC(C)(C)[N+]4(C)O3)[C@@H]12 |t:6|

BDBM50149726

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3\C(=C\CC3CCC(C)(C)N3C)[C@@H]12

BDBM50149719

CCN1C(C\C=C2/[C@H]3[C@H](C)OC(=O)[C@H]3C=C3CCCC[C@H]23)CCC1(C)C |t:15|

BDBM50581623

Cc1cnc2c(cnn2c1)-c1ccc(cc1F)C(=O)N([C@@H]1CCCNC1)c1ncccc1C |r|

BDBM50584882

[H][C@@]12C[C@H](c3ccc(cc3)-c3cc(cc4cc(ccc34)-c3ccc(cc3)C(F)(F)F)C(=O)OCC(=O)N(C)C)[C@@]([H])(CN1)C2 |r|

BDBM50156978

CCN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(=O)(=O)N(C)C

BDBM50596239

CC(=O)Nc1ccc(cc1)-c1ccc(NC[C@@H]2CC22CCN(CC3CCOCC3)CC2)nn1 |r|

BDBM50172414

CN(C)CCOc1cc(C)c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc2n1

BDBM50172421

CN(C)CCN(C)c1cc(C)c2cc(NC(=O)\C=C\c3ccc(OC(F)(F)F)cc3)ccc2n1

BDBM50173095

COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2Cl)cc1N1CCN(C)CC1

BDBM50173090

COc1ccc(NC(=O)N2CCN(CC2)c2ccc(F)cc2)cc1N1CCN(C)CC1

BDBM50173096

COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)-c2ccccc2)cc1N1CCN(C)CC1

BDBM50173092

COc1ccc(NC(=O)N2CCN(CC2)c2ccccc2F)cc1N1CCN(C)CC1

BDBM50173097

COc1ccc(NC(=O)N2CCN(CC2)c2ccc(cc2)C(F)(F)F)cc1N1CCN(C)CC1

BDBM50173093

COc1ccccc1N1CCC(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1

BDBM50173091

COc1ccc(NC(=O)N2CCN(CC2)c2ccc(Cl)cc2)cc1N1CCN(C)CC1

BDBM50173098

COc1ccccc1N1CCN(CC1)C(=O)Nc1ccc(OC)c(c1)N1CCN(C)CC1

BDBM50173094

COc1ccc(NC(=O)N2CCN(CC2)c2ccc(SC)cc2)cc1N1CCN(C)CC1

BDBM50178128

F[B-]1(F)n2c(CCC(=O)NCCCCCC(=O)NCCCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)ccc2C=C2C=CC(c3cccs3)=[N+]12 |c:57,t:55,65|

BDBM50178129

CCN(CC)c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOCCOCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1

BDBM50178130

CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(32.33,-2.99,;31.57,-4.32,;32.34,-5.66,;33.88,-5.65,;34.65,-4.31,;31.58,-6.99,;30.04,-7,;29.29,-8.32,;30.05,-9.64,;29.27,-10.98,;27.73,-10.98,;27.75,-12.52,;26.43,-13.3,;25.09,-12.54,;25.07,-11.01,;26.39,-10.22,;26.36,-8.68,;26.35,-7.14,;24.82,-8.7,;27.9,-8.67,;23.77,-13.32,;24.55,-14.65,;22.99,-11.99,;22.44,-14.1,;21.1,-13.34,;19.77,-14.12,;18.43,-13.36,;17.11,-14.14,;15.77,-13.38,;14.44,-14.16,;14.45,-15.7,;13.1,-13.4,;11.77,-14.18,;10.43,-13.42,;9.1,-14.2,;7.77,-13.44,;6.44,-14.21,;5.1,-13.45,;3.77,-14.23,;2.43,-13.47,;1.1,-14.25,;1.11,-15.79,;-.21,-16.57,;-1.54,-15.81,;-2.87,-16.59,;-2.85,-18.13,;-1.51,-18.89,;-4.18,-18.92,;-5.56,-18.23,;-5.43,-16.71,;-6.7,-15.83,;-8.09,-16.49,;-8.21,-18.02,;-6.95,-18.89,;-7.31,-20.38,;-8.81,-20.71,;-6.36,-21.6,;-4.82,-21.61,;-4.27,-23.05,;-2.75,-23.29,;-1.78,-22.09,;-2.33,-20.66,;-3.84,-20.42,;-1.57,-14.27,;-.24,-13.49,;30.05,-12.3,;29.27,-13.63,;30.04,-14.97,;31.59,-14.97,;32.36,-13.64,;31.6,-12.31,;32.36,-10.97,;31.58,-9.64,;32.34,-8.32,;32.36,-16.31,;31.59,-17.64,;32.36,-18.97,;33.9,-16.31,;34.67,-17.64,)|

BDBM50178131

CCN1\C(=C\C=C\c2ccc3cc(NC(=O)CCCCC(O)=O)ccc3[n+]2CC)C=Cc2ccccc12 |c:31|

BDBM50178132

CCN(CC)c1ccc(cc1)[C+](c1ccc(cc1)N(CC)CC)c1ccc(cc1S([O-])(=O)=O)S(=O)(=O)NCCCCCC(O)=O

BDBM50178133

CCN1\C(=C\C=C\c2ccc3cc(NC(=O)CCCCC(=O)NCCOCCOCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc56)CC4)ccc3[n+]2CC)C=Cc2ccccc12 |c:68|

BDBM50568740

CCCCCNC(=O)\N=C(/N)NCCCc1sc(N)nc1C

BDBM50601551

CCCCCNC(=O)N=C(/N)NCCCc1nnc(N)s1

BDBM50601567

NC(NCCCc1nnc(N)s1)=N/C(=O)NCc1ccccc1

BDBM50601574

C[C@@H](NC(=O)N=C(/N)NCCCc1ncn[nH]1)c1ccccc1

BDBM50601609

CN1CCN(CC(=O)Nc2ccccc2N=N/c2ccccc2)CC1

BDBM50605063

Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1

BDBM50605064

Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCCCc2c1

BDBM50605065

Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCOc2c1

BDBM50605067

Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1

BDBM50605068

CC1Cc2cc(ccc2O1)S(=O)(=O)N1CCC(CSc2nccn2C)CC1

BDBM50605069

Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2CCCc2c1

BDBM50605071

Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2ncccc2c1

BDBM50605072

Cn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2ncsc2c1

BDBM50605073

CCn1ccnc1SCC1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1

BDBM50605075

Cc1cn(C)c(SCC2CCN(CC2)S(=O)(=O)c2ccc3OCCc3c2)n1

BDBM50605076

Cc1nc(SCC2CCN(CC2)S(=O)(=O)c2ccc3OCCc3c2)n(C)c1C

BDBM50605077

CC(Sc1nccn1C)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1

BDBM50605078

CCC(Sc1nccn1C)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1

BDBM50605079

Cn1ccnc1SC(C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1)C(F)(F)F

BDBM50605080

Cn1ccnc1C#CC1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1

BDBM50605082

O=S(=O)(N1CCC(CCc2nccs2)CC1)c1ccc2OCCc2c1

BDBM50605083

Cc1nnc(SCC2CCN(CC2)S(=O)(=O)c2ccc3OCCc3c2)s1

BDBM50605084

C[C@H]1C[C@@H](CSc2nccn2C)CCN1S(=O)(=O)c1ccc2OCCc2c1 |r|

BDBM50605085

Cn1ccnc1SC[C@H]1CCN(C[C@@H]1F)S(=O)(=O)c1ccc2OCCc2c1 |r|

BDBM50605086

Cn1ccnc1SCC1(F)CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1

BDBM50605087

Cn1ccnc1SCC1CCC(CC1)S(=O)(=O)c1ccc2OCCc2c1 |(-.49,-5.1,;-1.98,-5.5,;-2.46,-6.96,;-4,-6.96,;-4.47,-5.5,;-3.23,-4.59,;-3.23,-3.05,;-1.89,-2.28,;-1.89,-.74,;-.56,.03,;-.56,1.57,;-1.89,2.34,;-3.23,1.57,;-3.23,.03,;-1.89,3.88,;-2.66,5.21,;-3.43,3.88,;-.56,4.65,;-.56,6.19,;.77,6.96,;2.1,6.19,;3.57,6.67,;4.47,5.42,;3.57,4.18,;2.1,4.65,;.78,3.89,)|

BDBM50605089

[H][C@@]12CC(C[C@]1([H])CN(C2)S(=O)(=O)c1ccc2OCCc2c1)Sc1nccn1C |r|

BDBM50605090

Cn1ccnc1Sc1ccc2CN(CCc2c1)S(=O)(=O)c1ccc2OCCc2c1

BDBM50605091

Cn1ccnc1-c1ccc2CN(CCc2c1)S(=O)(=O)c1ccc2OCCc2c1

BDBM50605094

C[C@H](N(C)C(=O)c1cc(COc2cccc(c2)C(C)=O)on1)c1ccccn1

BDBM50233360

Cc1cc(ccc1Cl)[C@]12N(CCN1C(=O)c1ccccc21)C(=O)c1ccc(F)c(F)c1 |r|

BDBM50426242

COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1OC |t:11|

BDBM50187673

COc1nc(NCCCN2CCOCC2)nc(OC)c1NC(=O)c1ccc(Oc2cc3c(CCC3(C)C)cc2C)o1

BDBM50189576

CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(sc2c1=O)-c1ccc(cc1)C(F)(F)F

BDBM50606809

CNC(=O)Oc1cccc2C3CCN(CCC4CCCCC4)C3CCc12

BDBM50606933

Cn1ncc(c1Cl)S(=O)(=O)N1CC[C@@H]([C@@H](F)C1)C(=O)Nc1ccc2scnc2c1 |r|

BDBM50606934

Cc1ncc(s1)S(=O)(=O)N1CC[C@@H]([C@@H](F)C1)C(=O)Nc1ccc2scnc2c1 |r|

BDBM50606942

Cc1nn(C)cc1S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2scnc2c1

BDBM50606932

Cc1nn(C)cc1S(=O)(=O)N1CC[C@@H]([C@@H](F)C1)C(=O)Nc1ccc2scnc2c1 |r|

BDBM50606943

Clc1ccc(s1)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2scnc2c1

BDBM50606944

O=C(Nc1ccc2scnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1

BDBM50194639

O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CCC2)CC1

BDBM50194640

O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1

BDBM50194642

CN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1

BDBM50194641

O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1

BDBM50194652

O=C(CC(c1ccccc1)(c1ccccc1)c1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCNC1

BDBM50194647

O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1

BDBM50194658

O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CC2)CC1

BDBM50194645

O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1

BDBM50194644

O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1

BDBM50194643

O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCNC1

BDBM50194649

O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NCCC1CCNCC1

BDBM50194656

O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1

BDBM50194654

O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1

BDBM50194646

CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1

BDBM50194659

O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CCCC2)CC1

BDBM50194655

O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC1)C1CCCC1

BDBM50194657

CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1

BDBM50609400

C[C@H]1CN(C[C@@H]1C(=O)Nc1ccc2scnc2c1)S(=O)(=O)c1ccc2OCCc2c1 |r|

BDBM50609866

Fc1ccc(NC(=O)OC2CCNCC2)c(c1)-c1ccc(F)c(Cl)c1

BDBM50609867

NCCCCCCN1CCC(CC1)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1

BDBM50609868

NCCCCCCCCN1CCC(CC1)OC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1

BDBM50609869

NCCCCCCN1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1

BDBM50609870

NCCCCCCCCN1CCC(COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)CC1

BDBM50609871

Fc1ccc(NC(=O)OC2CCN(CCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1

BDBM50609872

Fc1ccc(NC(=O)OC2CCN(CCCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1

BDBM50609873

Fc1ccc(NC(=O)OCC2CCN(CCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1

BDBM50609874

Fc1ccc(NC(=O)OCC2CCN(CCCCCCC#C)CC2)c(c1)-c1ccc(F)c(Cl)c1

BDBM50609875

CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|

BDBM50609876

CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|

BDBM50609877

CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|

BDBM50609878

CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|

BDBM50609879

CC1(C)\C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCCCCCCCN3CCC(CC3)OC(=O)Nc3ccc(F)cc3-c3ccc(F)c(Cl)c3)c3ccc(cc3C2(C)C)S([O-])(=O)=O)N(CCCCS(O)(=O)=O)c2ccccc12 |c:9|

BDBM50609880

CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCN5CCC(CC5)OC(=O)Nc5ccc(F)cc5-c5ccc(F)c(Cl)c5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(17.61,12.58,;17.61,11.04,;18.94,10.27,;16.28,10.27,;16.28,8.74,;14.95,7.96,;13.61,8.73,;12.28,7.96,;12.28,6.42,;10.94,5.65,;10.94,4.12,;12.28,3.35,;13.61,4.12,;13.61,5.66,;15.15,5.66,;15.92,6.99,;15.92,4.32,;12.28,1.81,;11.13,.78,;11.76,-.63,;10.99,-1.96,;9.45,-1.96,;8.68,-3.3,;7.14,-3.3,;6.37,-4.63,;4.83,-4.63,;3.8,-3.49,;2.39,-4.11,;1.06,-3.34,;-.28,-4.11,;-1.61,-3.34,;-2.94,-4.11,;-4.28,-3.34,;-5.61,-4.11,;-6.94,-3.34,;-8.28,-4.11,;-8.28,-5.65,;-6.94,-6.42,;-5.61,-5.65,;-9.61,-6.42,;-10.95,-5.65,;-10.95,-4.11,;-12.28,-6.42,;-12.28,-7.96,;-10.95,-8.73,;-10.95,-10.27,;-12.28,-11.04,;-12.28,-12.58,;-13.61,-10.28,;-13.61,-8.73,;-14.95,-7.96,;-16.28,-8.73,;-17.61,-7.96,;-17.61,-6.42,;-18.94,-5.65,;-16.28,-5.66,;-16.28,-4.12,;-14.95,-6.42,;2.55,-5.64,;4.06,-5.96,;13.29,-.47,;13.61,1.04,;10.94,8.73,;9.61,7.96,;8.28,8.73,;8.28,10.27,;9.61,11.04,;10.94,10.27,;12.28,11.04,;13.61,10.27,;14.94,11.04,;6.94,11.04,;5.61,10.27,;6.94,12.58,)|

BDBM50609881

CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCCN5CCC(CC5)OC(=O)Nc5ccc(F)cc5-c5ccc(F)c(Cl)c5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(16.94,9.27,;16.94,7.73,;18.27,6.96,;15.6,6.96,;15.61,5.43,;14.28,4.65,;12.94,5.42,;11.6,4.65,;11.6,3.11,;10.27,2.34,;10.27,.81,;11.6,.04,;12.94,.81,;12.93,2.35,;14.47,2.35,;15.24,3.68,;15.24,1.02,;11.6,-1.5,;10.46,-2.53,;11.08,-3.94,;10.31,-5.27,;8.77,-5.27,;8,-6.61,;6.46,-6.61,;5.69,-7.94,;4.15,-7.94,;3.12,-6.8,;1.72,-7.42,;.38,-6.65,;-.95,-7.42,;-2.28,-6.65,;-3.62,-7.42,;-4.95,-6.65,;-6.28,-7.42,;-7.62,-6.65,;-7.6,-5.11,;-8.93,-4.33,;-10.27,-5.09,;-10.29,-6.63,;-8.96,-7.41,;-11.6,-4.31,;-11.59,-2.77,;-10.25,-2.01,;-12.91,-1.99,;-14.25,-2.75,;-14.27,-4.28,;-15.61,-5.04,;-16.93,-4.26,;-18.27,-5.02,;-16.93,-2.73,;-15.58,-1.96,;-15.57,-.42,;-16.89,.36,;-16.88,1.89,;-15.54,2.65,;-15.53,4.19,;-14.22,1.88,;-12.88,2.64,;-14.22,.34,;1.88,-8.95,;3.38,-9.27,;12.62,-3.78,;12.94,-2.27,;10.27,5.42,;8.94,4.65,;7.6,5.42,;7.6,6.96,;8.94,7.73,;10.27,6.96,;11.6,7.73,;12.94,6.96,;14.27,7.73,;6.27,7.73,;4.94,6.96,;6.27,9.27,)|

BDBM50609882

CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCN5CCC(COC(=O)Nc6ccc(F)cc6-c6ccc(F)c(Cl)c6)CC5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(20.48,-6.06,;19.16,-6.85,;19.18,-8.39,;17.81,-6.1,;16.5,-6.89,;15.15,-6.15,;15.12,-4.61,;13.78,-3.86,;12.45,-4.65,;11.11,-3.91,;9.79,-4.69,;9.82,-6.23,;11.17,-6.98,;12.48,-6.18,;13.28,-7.51,;14.82,-7.48,;12.53,-8.85,;8.5,-7.03,;7.02,-6.58,;6.14,-7.84,;4.6,-7.86,;3.81,-6.54,;2.27,-6.57,;1.48,-5.25,;-.06,-5.27,;-.86,-3.95,;-.41,-2.48,;-1.67,-1.6,;-1.69,-.06,;-3.04,.69,;-3.07,2.23,;-4.41,2.97,;-4.44,4.51,;-5.79,5.26,;-5.81,6.8,;-7.16,7.55,;-8.48,6.76,;-9.81,7.53,;-11.15,6.76,;-12.48,7.53,;-12.48,9.07,;-13.81,6.76,;-13.81,5.22,;-12.49,4.45,;-12.49,2.91,;-13.81,2.14,;-13.81,.6,;-15.15,2.9,;-15.15,4.45,;-16.48,5.22,;-17.82,4.45,;-19.14,5.22,;-19.14,6.76,;-20.48,7.53,;-17.82,7.53,;-17.82,9.07,;-16.48,6.76,;-8.45,5.22,;-7.11,4.47,;-2.9,-2.52,;-2.4,-3.98,;7.07,-9.07,;8.52,-8.57,;13.75,-2.32,;12.4,-1.57,;12.38,-.03,;13.7,.76,;15.04,.01,;15.07,-1.53,;16.42,-2.28,;16.44,-3.81,;17.78,-4.56,;13.67,2.3,;12.32,3.05,;14.99,3.09,)|

BDBM50609883

CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)-c3cn(CCCCCn4cc(CCCCCCN5CCC(COC(=O)Nc6ccc(F)cc6-c6ccc(F)c(Cl)c6)CC5)nn4)nn3)c3ccc(cc3oc2c1)=[N+](C)C |(18.94,10.27,;18.94,8.73,;20.27,7.96,;17.6,7.96,;17.61,6.42,;16.28,5.65,;14.94,6.42,;13.61,5.65,;13.61,4.11,;12.27,3.34,;12.27,1.8,;13.6,1.03,;14.94,1.81,;14.93,3.35,;16.47,3.35,;17.24,4.68,;17.24,2.01,;13.6,-.51,;12.46,-1.54,;13.09,-2.94,;12.32,-4.28,;10.78,-4.28,;10.01,-5.61,;8.47,-5.61,;7.7,-6.94,;6.16,-6.94,;5.13,-5.8,;3.72,-6.43,;2.39,-5.66,;1.05,-6.43,;-.28,-5.66,;-1.61,-6.43,;-2.95,-5.66,;-4.28,-6.43,;-5.62,-5.66,;-5.6,-4.12,;-6.93,-3.33,;-8.27,-4.09,;-9.61,-3.33,;-10.94,-4.1,;-12.27,-3.34,;-12.28,-1.8,;-13.6,-4.11,;-13.6,-5.65,;-12.27,-6.42,;-12.26,-7.96,;-13.59,-8.73,;-13.58,-10.27,;-14.93,-7.97,;-14.93,-6.43,;-16.27,-5.66,;-17.6,-6.44,;-18.93,-5.67,;-18.94,-4.13,;-20.27,-3.37,;-17.61,-3.36,;-17.62,-1.82,;-16.27,-4.11,;-8.28,-5.63,;-6.96,-6.41,;3.88,-7.96,;5.39,-8.28,;14.62,-2.78,;14.94,-1.28,;12.27,6.42,;10.94,5.65,;9.6,6.42,;9.61,7.96,;10.94,8.73,;12.27,7.96,;13.61,8.73,;14.94,7.96,;16.27,8.73,;8.27,8.73,;6.94,7.96,;8.27,10.27,)|

BDBM50609884

CN1\C(=C\C=C\C=C\C2=[N+](CCCCCC(=O)NCCCNCCCCCCN3CCC(COC(=O)Nc4ccc(F)cc4-c4ccc(F)c(Cl)c4)CC3)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:8|

BDBM50201278

CN(C)C1(CNCCc2ccccc2F)COc2ccccc2OC1

BDBM50201283

CN(C)C1(CNCCC2CCCCC2)COc2ccccc2OC1

BDBM50201285

CN(C)C1(CNCCC2CCCCCC2)COc2ccccc2OC1

BDBM50201291

[#6]-[#7](-[#6])C1([#6]-[#7]-[#6]\[#6]=[#6]-2\[#6]-[#6]-[#8]-[#6]-[#6]-2)[#6]-[#8]-c2ccccc2-[#8]-[#6]1

BDBM50201287

CN(C)C1(CNCCC2CCOCC2)COc2ccccc2OC1

BDBM50201284

CN(C)C1(CNCC2CCCCC2)COc2ccccc2OC1

BDBM50201292

CN(C)C1(CNCCC2CCOCC2)COc2cc(Cl)c(Cl)cc2OC1

BDBM50201293

CC(C)c1ccc(CCNCC2(COc3ccccc3OC2)N(C)C)cc1

BDBM50201276

CN(C)C1(CNCCC2=CCSCC2)COc2ccccc2OC1 |t:8|

BDBM50201277

CN(C)C1(CNCCC2CCC(CO)CC2)COc2ccccc2OC1 |(6.24,-16.08,;7.23,-14.91,;8.75,-15.18,;6.71,-13.46,;7.47,-12.12,;9.01,-12.11,;9.77,-10.77,;11.31,-10.76,;12.07,-9.42,;13.61,-9.42,;14.37,-8.09,;13.59,-6.75,;14.36,-5.42,;15.9,-5.41,;12.05,-6.76,;11.28,-8.1,;6.08,-12.04,;4.64,-11.66,;3.45,-12.58,;2.11,-11.81,;.78,-12.58,;.78,-14.13,;2.11,-14.9,;3.45,-14.12,;4.61,-15.01,;6.05,-14.72,)|

BDBM50201280

CN(C)C1(CNCCC23CC4CC(CC(C4)C2)C3)COc2ccccc2OC1 |TLB:7:8:11.10.15:13,THB:9:10:13:17.8.16,9:8:11.10.15:13,7:8:11:15.14.13,16:8:11:15.14.13,16:14:11:17.9.8|

BDBM50165019

CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c1ccccc1

BDBM50201294

CN(C)C1(CNCCC2CCCC2)COc2ccccc2OC1

BDBM50201289

CN(C)C1(CNCCc2ccccc2)COc2ccccc2OC1

BDBM50201299

CN(C)C1(CNCCC2CCOCC2)COc2ccc(F)cc2OC1 |w:3.3|

BDBM50201286

CN(C)C1(CNCCC2CCSCC2)COc2ccccc2OC1

BDBM50201279

CN(C)C1(CNCCc2ccc(Cl)cc2)COc2ccccc2OC1

BDBM50201295

CN(C)C1(CNCCc2c(Cl)cccc2Cl)COc2ccccc2OC1

BDBM50201281

CN(C)C1(CNCCc2ccc(C)cc2)COc2ccccc2OC1

BDBM50201296

CN(C)C1(CNCCC2CCC(O)CC2)COc2ccccc2OC1 |(-6.35,-15.83,;-5.36,-14.65,;-3.84,-14.92,;-5.88,-13.2,;-5.12,-11.87,;-3.58,-11.85,;-2.82,-10.51,;-1.28,-10.5,;-.52,-9.16,;1.02,-9.16,;1.78,-7.83,;1,-6.5,;1.77,-5.16,;-.54,-6.51,;-1.31,-7.85,;-6.51,-11.78,;-7.95,-11.4,;-9.14,-12.32,;-10.48,-11.56,;-11.81,-12.33,;-11.81,-13.87,;-10.48,-14.64,;-9.14,-13.86,;-7.99,-14.75,;-6.55,-14.47,)|

BDBM50615274

CC1CCNCc2c(OCC#C)noc12

BDBM50616867

CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1ccc(Cl)c2cccnc12

BDBM50616870

CCN(CC)CCCC(C)Nc1cnc(cn1)C(=O)Nc1cc(F)cc2cccnc12

BDBM50621475

CCCN1CCN(CC1)c1ccc2CCCC(N(C)C(=O)OCc3ccccc3)c2c1

BDBM50581210

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C(C)C |r,TLB:9:7:21:3.2,22:21:7.6.8:3.2,THB:23:21:7.6.8:3.2|

BDBM50211166

COc1cc(ccc1OCCN1CCCC1)-n1cc(O)n(-c2ccc(Oc3ccccc3)cc2)c1=O

BDBM50215552

FCc1nc(cs1)C#Cc1cc(F)cc(c1)C#N

BDBM50635592

Cc1cc(C)c2c(n1)CN(C(=O)CC1CN(c3ccnc(C(F)(F)F)c3)C1)C2

BDBM50223960

CN1C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223961

C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|

BDBM50223962

CN1C2CCC1CC(C2)OC(=O)N(Cc1ccc(Br)cc1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223963

CN1C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223966

C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1cccc(c1)C#N)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|

BDBM50223971

C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1Br)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|

BDBM50223968

CN1C2CCC1CC(C2)OC(=O)N(CC1CCCCC1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223975

COc1cccc(CN(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2)c1 |w:17.17,14.14,TLB:11:12:19:15.16|

BDBM50223977

COc1ccc(CN(C(=O)OC2CC3CCC(C2)N3C)c2ccccc2)cc1 |w:16.16,13.13,TLB:10:11:18:14.15|

BDBM50223972

CN1C2CCC1CC(C2)OC(=O)N(Cc1ccc(cc1)C#N)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223989

CN1C2CCC1CC(C2)OC(=O)N(Cc1ccoc1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223985

CN1C2CCC1CC(C2)OC(=O)N(Cc1sccc1C)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223965

CN1C2CCC1CC(C2)OC(=O)N(Cc1occc1C)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223986

CN1C2CCC1CC(C2)OC(=O)N(Cc1ccc(C)s1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223991

C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1cccs1 |w:6.7,3.3,THB:10:8:1:4.5|

BDBM50223990

C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|

BDBM50223973

COc1cccc(CN(C(=O)OC2CC3CCC(C2)[N+]3(C)C)c2ccccc2)c1 |w:17.17,14.14,TLB:11:12:19:15.16|

BDBM50223974

C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1cccc(Br)c1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|

BDBM50223982

CN1C2CCC1CC(C2)OC(=O)N(Cc1cccc(Br)c1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223984

CN1C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1cccs1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223978

COc1ccc(CN(C(=O)OC2CC3CCC(C2)[N+]3(C)C)c2ccccc2)cc1 |w:16.16,13.13,TLB:10:11:18:14.15|

BDBM50223988

CN1C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223987

Cc1ccoc1CN(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1 |w:16.17,13.14,TLB:10:11:18:14.15|

BDBM50223967

CN1C2CCC1CC(C2)OC(=O)N(Cc1ccccc1Br)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223970

C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccoc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|

BDBM50223980

C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|

BDBM50223994

CN1C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223983

C[N+]1(C)C2CCC1CC(C2)OC(=O)N(CC1CCCCC1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|

BDBM50223981

C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|

BDBM50223964

C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccccc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|

BDBM50223969

CN1C2CCC1CC(C2)OC(=O)N(Cc1ccc(cc1)C#N)c1ccsc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50223993

Cc1ccsc1CN(C(=O)OC1CC2CCC(C1)[N+]2(C)C)c1ccccc1 |w:16.17,13.14,TLB:10:11:18:14.15|

BDBM50223976

C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccsc1)c1ccsc1 |w:6.7,3.3,THB:10:8:1:4.5|

BDBM50223995

Cc1ccc(CN(C(=O)OC2CC3CCC(C2)[N+]3(C)C)c2ccccc2)s1 |w:15.15,12.12,TLB:9:10:17:13.14|

BDBM50223979

C[N+]1(C)C2CCC1CC(C2)OC(=O)N(Cc1ccc(cc1)C#N)c1ccccc1 |w:6.7,3.3,THB:10:8:1:4.5|

BDBM50223992

CN1C2CCC1CC(C2)OC(=O)N(Cc1cccs1)c1ccccc1 |w:5.6,2.2,THB:9:7:1:3.4|

BDBM50226008

CCCN1CCO[C@@H](C1)c1cccc(O)c1

BDBM50643621

CN1[C@@H]2C[C@@H](OC(=O)[C@@](F)(CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12

BDBM50240039

CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)c4ccccc4

BDBM50227866

CC(=O)N1C2CCCC1C=C(CN1C3CCC1CC(C3)NC(=O)Nc1cc(F)cc(c1)C(F)(F)F)C2 |w:4.39,8.9,18.22,13.14,16.16,t:10,TLB:1:3:10.35.9:7.5.6,TEB:20:18:12:14.15|

BDBM50228392

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3nccc4ccccc34)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-1

BDBM50228394

CNC(=O)COc1ccccc1C(=O)Cn1c(=O)n(C)c2nc(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O

BDBM50228399

CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3)c(=O)c12)N1CCC[C@H](N)C1

BDBM50228398

CC#CCn1c(nc2n(C)c(=O)n(CC(=O)c3ccccc3)c(=O)c12)N1CCC[C@@H](N)C1

BDBM50228393

COc1ccc(Cn2c(=O)n(C)c3nc(N4CCC[C@@H](N)C4)n(CC#CC)c3c2=O)cc1

BDBM50228391

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-c3nccc4ccccc34)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1

BDBM50228407

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(nc2n(-[#6])c(=O)n(-[#6]-[#6](=O)-c3ccccc3)c(=O)c12)-[#7]-1-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-1

BDBM50228406

CC#CCn1c(nc2n(C)c(=O)n(Cc3nc(C)cc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1

BDBM50652415

CN1CCC(Oc2nc3ccccc3n2-c2ccccc2)CC1

BDBM50652416

CN1CCCC(Oc2nc3ccccc3n2-c2ccccc2)C1

BDBM50652417

CN1CCC(Oc2nc3ccccc3n2-c2ccccc2)C1

BDBM50652418

CN1CC(Oc2nc3ccccc3n2-c2ccccc2)C1

BDBM50652419

c1ccc(-n2c(O[C@H]3CN4CCC3CC4)nc3ccccc32)cc1

BDBM50652420

CN1[C@@H]2CC[C@H]1C[C@@H](Oc1nc3ccccc3n1-c1ccccc1)C2

BDBM50652421

CN1[C@@H]2CC[C@H]1C[C@H](Oc1nc3ccccc3n1-c1ccccc1)C2

BDBM50652422

CN1[C@@H]2C[C@@H](Oc3nc4ccccc4n3-c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12

BDBM50652423

CN1CCC(OC(=O)N(c2ccccc2)c2ccccc2)CC1

BDBM50652424

CN1CCCC(OC(=O)N(c2ccccc2)c2ccccc2)C1

BDBM50652425

CN1CCC(OC(=O)N(c2ccccc2)c2ccccc2)C1

BDBM50652426

CN1CC(OC(=O)N(c2ccccc2)c2ccccc2)C1

BDBM50652427

CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)N(c1ccccc1)c1ccccc1)C2

BDBM50652428

CN1[C@@H]2CC[C@H]1C[C@H](OC(=O)N(c1ccccc1)c1ccccc1)C2

BDBM50652429

CN1[C@@H]2C[C@@H]3C[C@H]1C(O3)C2OC(=O)N(c1ccccc1)c1ccccc1

BDBM50652430

CN1CCN(Cc2nc3cccnc3n2-c2ccccc2C(=O)O)CC1

BDBM50440614

c1ccc(cc1)Nc2cc(ccc2C(=O)N3CCC(CC3)N4CCCC4)C(=O)N5CCC(CC5)N6CCCC6

BDBM50259847

CC[C@@H](C)[C@@H](O)C(=O)OC[C@H]1CCN2CCC[C@@H]12 |r|

BDBM50241913

CCCCCCCCCCCC(OC(=O)C(CCCCN(O)C(C)=O)NC(=O)c1coc(n1)-c1ccccc1O)C(C)C(=O)NC1CCCCN(O)C1=O

BDBM50260413

CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(C)cc1 |c:4|

BDBM50260421

CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O |c:4|

BDBM50260420

CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1cccc(c1)[N+]([O-])=O |c:4|

BDBM50260419

CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccccc1[N+]([O-])=O |c:4|

BDBM50260418

CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccccc1 |c:4|

BDBM50260417

CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1cc(Cl)ccc1Cl |c:4|

BDBM50260415

CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(Cl)cc1 |c:4|

BDBM50260414

CN1CCC=C(C1)C1CN(CCO1)S(=O)(=O)c1ccc(cc1)C(C)(C)C |c:4|

BDBM50262929

Fc1ccc(cc1)C(=O)CCCN1CCCN(CC1)c1ccc(Cl)cc1

BDBM50261729

Fc1ccc(-c2noc(n2)C2CCN(CC2)c2cnc3ccc(Cl)cc3c2)c(Cl)c1

BDBM50262160

COc1cccc(NC(=S)N2CCOC(C2)C2=CCCN(C)C2)c1 |t:17|

BDBM50262159

COc1ccccc1NC(=S)N1CCOC(C1)C1=CCCN(C)C1 |t:19|

BDBM50262220

CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccccc1 |c:4|

BDBM50262219

CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccc(Cl)cc1Cl |c:4|

BDBM50262218

CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccc(F)cc1 |c:4|

BDBM50262217

CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccccc1F |c:4|

BDBM50262216

CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccc(Cl)cc1 |c:4|

BDBM50262215

CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1cccc(Cl)c1 |c:4|

BDBM50262162

CN1CCC=C(C1)C1CN(CCO1)C(=S)Nc1ccccc1Cl |c:4|

BDBM50262161

COc1ccc(NC(=S)N2CCOC(C2)C2=CCCN(C)C2)cc1 |t:16|

BDBM50263887

Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50263937

Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(Cc4ccccc4C(F)(F)F)CC3)c2c1

BDBM50263936

Fc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4C(F)(F)F)CC3)c(=O)[nH]c2c1

BDBM50263893

Fc1cccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4C(F)(F)F)CC3)c(=O)[nH]c12

BDBM50263892

Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2cc(F)ccc2[nH]c1=O

BDBM50263891

Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O

BDBM50263890

Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2cccc(F)c2[nH]c1=O

BDBM50263886

Clc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4C#N)CC3)c(=O)[nH]c2c1

BDBM50263413

O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCN(Cc2ccccc2C#N)CC1

BDBM50263412

[O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O

BDBM50263411

[O-][N+](=O)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50263410

Clc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4Cl)CC3)c(=O)[nH]c2c1

BDBM50263372

Clc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50263371

FC(F)(F)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O

BDBM50263370

FC(F)(F)c1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50263889

Clc1ccc2n(C3CCN(CC3)C3CCN(Cc4ccccc4)CC3)c(=O)[nH]c2c1

BDBM50263837

Cc1ccccc1CN1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O

BDBM50263888

CCOC(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50275588

NC(=O)OCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50276002

Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50276049

Cc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O

BDBM50276050

Cc1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50276051

Cc1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O

BDBM50276052

FC(F)(F)c1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50275342

FC(F)(F)c1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O

BDBM50275343

Clc1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50275344

Clc1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)n1c2ccc(Cl)cc2[nH]c1=O

BDBM50275345

O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCN(CC1)S(=O)(=O)c1ccccc1

BDBM50275379

FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccccc3[nH]c2=O)c1

BDBM50275502

Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c12

BDBM50275503

Fc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1

BDBM50275504

Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1

BDBM50275505

Clc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1

BDBM50275557

Brc1ccc2n(C3CCN(CC3)C3CCN(CC3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1

BDBM50275558

Fc1cccc2n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c(=O)[nH]c12

BDBM50275559

Fc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCN(CC3)C(=O)Nc3cccc(SC(F)(F)F)c3)c2c1

BDBM50275560

FC(F)(F)Sc1cccc(NC(=O)N2CCC(CC2)N2CCC(CC2)n2c3ccc(Cl)cc3[nH]c2=O)c1

BDBM50248045

C[C@H](OC(=O)N[C@@H]1CN2CCC1CC2)c1ccccc1F |r,wD:6.5,1.0,(32.55,-17.37,;32.55,-18.91,;33.89,-19.68,;35.22,-18.9,;35.21,-17.36,;36.56,-19.67,;37.89,-18.89,;37.87,-17.35,;39.21,-16.58,;40.54,-17.35,;40.54,-18.89,;39.22,-19.66,;38.48,-18.3,;39.97,-17.9,;31.22,-19.69,;31.23,-21.24,;29.89,-22.01,;28.56,-21.24,;28.56,-19.69,;29.89,-18.92,;29.88,-17.38,)|

BDBM50267573

OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2

BDBM50267614

OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2

BDBM50258723

FC(F)(F)c1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1

BDBM50258753

FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)C(F)(F)F)C(=O)C(=O)c2c1

BDBM50258754

FC(F)(F)Oc1ccc2N(Cc3ccccc3Cl)C(=O)C(=O)c2c1

BDBM50258362

Fc1cc(Br)ccc1CN1C(=O)C(=O)c2cccc(Cl)c12

BDBM50258436

FC(F)(F)Oc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1

BDBM50258437

Cc1ccccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12

BDBM50258438

Fc1cc(Br)ccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12

BDBM50222912

COc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1

BDBM50258528

Fc1cccc2C(=O)C(=O)N(Cc3ccc(Br)cc3)c12

BDBM50258573

COc1ccc(CN2C(=O)C(=O)c3cccc(Cl)c23)cc1

BDBM50258609

COc1cccc(CN2C(=O)C(=O)c3c2c(Cl)ccc3Cl)c1

BDBM50258610

COc1cccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)c1

BDBM50258657

FC(F)(F)c1ccc(CN2C(=O)C(=O)c3ccccc23)cc1

BDBM50258658

Fc1ccc2N(Cc3ccccc3C(F)(F)F)C(=O)C(=O)c2c1

BDBM50258659

Fc1ccc2N(Cc3ccc(cc3)C(F)(F)F)C(=O)C(=O)c2c1

BDBM50258692

Fc1cccc2C(=O)C(=O)N(Cc3ccccc3C(F)(F)F)c12

BDBM50258693

Fc1cccc2C(=O)C(=O)N(Cc3ccc(cc3)C(F)(F)F)c12

BDBM50280521

C[C@@H]1OC(=O)C[C@H]1C\C=C\[C@H]1CCCCN1C

BDBM50280522

CC(CN=O)CC#CCN(C)C

BDBM50280529

CN(C)CC#CCCC(C)=O

BDBM50280523

CC(CC#CCN1CCCC1)C(C)=O

BDBM50280524

CC(CN=O)CC#CCN1CCCC1

BDBM50009300

CN(CC#CCN1CCCC1)C(C)=O

BDBM50009291

CN(C)CC#CCN(C)C(C)=O

BDBM50280531

CCCCOc1cscc1C1=CCCN(C)C1 |t:11|

BDBM50280532

CCCCOc1nscc1C1=CCCN(C)C1 |t:11|

BDBM50280530

CCCCCCOc1nscc1C1=CCCN(C)C1 |t:13|

BDBM50280533

CCCCCCOc1cscc1C1=CCCN(C)C1 |t:13|

BDBM50280567

CC#CCO\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|

BDBM50280562

CC#CCC#CCO\N=C1/CN2CCC1C2 |THB:8:9:15:13.12|

BDBM50280572

CCCO\N=C1/CN2CCC1C2 |THB:4:5:11:9.8|

BDBM50280565

Nc1noc(n1)C1CN2CCC1C2 |THB:4:6:12:10.9|

BDBM50280566

CCCC#CCO\N=C1/CN2CCC1C2 |THB:7:8:14:12.11|

BDBM50280568

C#CCCO\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|

BDBM50280561

CC(O\N=C1/CN2CCC1C2)C#C |THB:3:4:10:8.7|

BDBM50280574

CC(C)(C)O\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|

BDBM50280563

COCC#CCO\N=C1/CN2CCC1C2 |THB:7:8:14:12.11|

BDBM50280560

CCC#CCO\N=C1/CN2CCC1C2 |THB:6:7:13:11.10|

BDBM50280575

CCCCC#CCO\N=C1/CN2CCC1C2 |THB:8:9:15:13.12|

BDBM50280573

C=CCC#CCO\N=C1/CN2CCC1C2 |THB:7:8:14:12.11|

BDBM50280569

C1CC(C1)O\N=C1/CN2CCC1C2 |THB:5:6:12:10.9|

BDBM50280570

CC(C)O\N=C1/CN2CCC1C2 |THB:4:5:11:9.8|

BDBM50280589

CCCc1cc(NC2CCCN2CC)nnc1-c1ccccc1

BDBM50280597

Cc1cc(nnc1NCCN1CCOCC1)-c1cccs1

BDBM50280582

CCCc1cc(NCC(C)(C)N(CC)CC)nnc1-c1ccccc1O

BDBM50280583

CCCc1cc(NCC(C)(C)N(CC)CC)nnc1-c1ccccc1

BDBM50280584

Cc1cc(nnc1NCCN1CCOCC1)-c1ccc2ccccc2c1

BDBM50280585

C(CN1CCOCC1)Nc1nnc(cc1Cc1ccccc1)-c1ccccc1

BDBM50280586

CCN(CC)C(C)(C)CNc1cc(C)c(nn1)-c1ccccc1O

BDBM50280587

CCN(CC)C(C)(C)CNc1cc(-c2ccccc2)c(nn1)-c1ccccc1

BDBM50280588

CCN(CC)C(C)(C)CNc1cc(c(C)nn1)-c1ccccc1

BDBM50280590

O=Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1

BDBM50280591

CCN1CCCC1Nc1cc(C)c(nn1)-c1ccccc1

BDBM50280592

CCN1CCCC1CNc1nnc(cc1C)-c1ccccc1

BDBM50280593

C(CNc1cc2CCCc3ccccc3-c2nn1)CN1CCOCC1

BDBM50280594

CCN(CC)CCCNc1cc2CCCc3ccccc3-c2nn1

BDBM50280595

Cc1cc(nnc1NCCN1CCOCC1=O)-c1ccccc1

BDBM50280596

CCc1cc(nnc1NCCN1CCOCC1)-c1ccccc1

BDBM50074279

C(CN1CCOCC1)Nc1ccc(nn1)-c1ccccc1

BDBM50280599

CCN(CC)C(C)(C)CNc1cc(c(CC(C)C)nn1)-c1ccccc1

BDBM50280600

Cc1cc(nnc1NCCN1CCOCC1)C1CCCCC1

BDBM50280601

C(CN1CCOCC1)Nc1nnc(cc1Cc1ccc2ccccc2c1)-c1ccccc1

BDBM50280602

CCN(CC)C(C)(C)CNc1cc(C2CC2)c(nn1)-c1ccccc1

BDBM50280603

CN(C)CCNc1ccc(c(C)c1)-c1ccccc1

BDBM50074285

C(CN1CCOCC1)Nc1nnc(cc1-c1ccccc1)-c1ccccc1

BDBM50280605

CCCc1nnc(NCC(C)(C)N(CC)CC)cc1-c1ccccc1

BDBM50280606

Cc1c(C)c(nnc1NCCN1CCOCC1)-c1ccccc1

BDBM50074280

N#Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1

BDBM50280608

CCCc1cc(NCCN2CCOCC2)nnc1-c1ccccc1

BDBM50280609

CCN1CCCC1Nc1cc(C)c(nn1)-c1ccccc1O

BDBM50280610

CCN(CC)C(C)(C)CNc1cc(C)c(nn1)-c1ccccc1

BDBM50280611

OC(=O)c1cc(nnc1NCCN1CCOCC1)-c1ccccc1

BDBM50280612

CCN1CCCC1Nc1cc(c(C)nn1)-c1ccccc1

BDBM50280613

Cc1cc(nnc1NCCN1CCC(O)CC1)-c1ccccc1

BDBM50140766

Cc1cc(NCCN2CCOCC2)nnc1-c1ccccc1

BDBM50074289

Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1

BDBM50280614

CN(C)CCNc1nnc(cc1C)-c1ccccc1

BDBM50280615

CCN(CC)CCNc1nnc(cc1C)-c1ccccc1

BDBM50280616

C(CN1CCOCC1)Nc1cc(-c2ccccc2)c(nn1)-c1ccccc1

BDBM50280617

CCN(CC)CCNc1cc2CCCc3ccccc3-c2nn1

BDBM50280618

CCCc1cc(NCCN(CC)CC)nnc1-c1ccccc1

BDBM50280619

C(CN1CCOCC1)Nc1cc2CCCc3ccccc3-c2nn1

BDBM50280620

CN(C)CCCNc1ccc(c(C)c1)-c1ccccc1

BDBM50280621

Cc1scc2c1N(C(=O)CN1CCN(CCCCCCCCCCN)CC1)c1ccccc1NC2=O

BDBM50280622

O=C(CN1CCN(CCCCCCCCCCNC(=S)Nc2cccc(c2)N=C=S)CC1)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50281903

CN1CCCC[C@H]1\C=C\C1c2ccccc2Cc2ccccc12

BDBM50281904

CN1CCCCC1C\C=C\C1c2ccccc2Cc2ccccc12

BDBM50281905

[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]-c2ccccc-12

BDBM50281902

[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@@H]-1-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]-c2ccccc-12

BDBM50281907

[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]\[#6]=[#6]-1\c2ccccc2-[#6]-c2ccccc-12

BDBM50281906

CN1CCCCC1\C=C\C1C2C=CC=CC2Oc2ccccc12 |c:12,14|

BDBM50281908

CN1CCCCC1\C=C\c1c2ccccc2cc2ccccc12

BDBM50281909

CN1CCCC[C@@H]1\C=C\C1c2ccccc2Cc2ccccc12

BDBM50283139

CCCCCCOc1nsnc1C1=C(C)CCN(C)C1 |c:13|

BDBM50283128

CCCCCCOc1nsnc1C1=CCC(C)N(C)C1 |t:13|

BDBM50283131

CC1CC=C(CN1C)c1nsnc1OCCCC=C |c:3|

BDBM50283132

COc1nsnc1C1=CC(C)CN(C)C1 |t:8|

BDBM50283138

CCCCCCOc1nsnc1C1=CC(C)CN(C)C1 |t:13|

BDBM50283134

CCCCCCOc1nsnc1C1=CC2(C)CCCCC2(C)N(C)C1 |t:13|

BDBM50283130

CCCCCOc1nsnc1C1=CCC(C)N(C)C1 |t:12|

BDBM50283135

CCOc1nsnc1C1=CCC(C)N(C)C1 |t:9|

BDBM50283133

COc1nsnc1C1=C(C)CCN(C)C1 |c:8|

BDBM50283136

CCCCCCOc1nsnc1C1=CCCN(C)C1C |t:13|

BDBM50283140

CCCOc1nsnc1C1=CC(C)CN(C)C1 |t:10|

BDBM50283129

CCC#CCCOc1nsnc1C1=CCC(C)N(C)C1 |t:13|

BDBM50283137

CCCCOc1nsnc1C1=CCC(C)N(C)C1 |t:11|

BDBM50283789

OC1(C2=CN3CCC2CC3)c2ccccc2CCc2ccccc12 |t:2,(8.36,-5.18,;9.69,-5.95,;8.36,-6.72,;8.38,-8.28,;7.05,-9.05,;7.09,-7.79,;7.75,-7.3,;7.05,-5.95,;5.71,-6.72,;5.71,-8.28,;9.71,-4.4,;8.3,-3.84,;8.08,-2.32,;9.29,-1.36,;10.71,-1.95,;10.93,-3.47,;12.44,-3.83,;13.07,-5.22,;12.39,-6.62,;13.41,-7.75,;12.94,-9.24,;11.44,-9.55,;10.39,-8.4,;10.87,-6.93,)|

BDBM50283792

CC(=O)c1ccc(s1)C1=CN2CCC1CC2 |t:9,(13.7,-5.74,;13.05,-4.33,;13.97,-3.09,;11.53,-4.19,;10.74,-2.85,;9.24,-3.18,;9.1,-4.71,;10.5,-5.33,;7.77,-5.49,;7.79,-7.04,;6.44,-7.81,;5.11,-7.04,;5.11,-5.49,;6.44,-4.72,;7.16,-6.08,;6.51,-6.55,)|

BDBM50283790

OC1(c2ccccc2-c2ccccc12)C1=CN2CCC1CC2 |t:17,(4.76,-1.6,;6.09,-2.37,;6.72,-.97,;6.14,.44,;7.05,1.68,;8.57,1.5,;9.18,.09,;8.27,-1.15,;8.57,-2.67,;9.88,-3.45,;9.86,-4.99,;8.53,-5.74,;7.19,-4.95,;7.22,-3.4,;4.76,-3.16,;4.78,-4.71,;3.45,-5.48,;3.49,-4.22,;4.15,-3.74,;3.45,-2.39,;2.11,-3.16,;2.11,-4.71,)|

BDBM50283794

COc1ccccc1C(O)C1=CN2CCC1CC2 |t:11,(14.36,.8,;15.7,.04,;15.7,-1.5,;17.05,-2.27,;17.05,-3.82,;15.72,-4.59,;14.39,-3.83,;14.38,-2.29,;13.03,-1.53,;13.03,.02,;11.71,-2.3,;11.72,-3.86,;10.39,-4.63,;9.06,-3.86,;9.06,-2.31,;10.39,-1.53,;11.11,-2.88,;10.45,-3.37,)|

BDBM50283793

COc1ccccc1C(=O)C1=CN2CCC1CC2 |t:11,(11.44,1.23,;12.79,.47,;12.79,-1.08,;14.12,-1.83,;14.15,-3.38,;12.82,-4.16,;11.48,-3.39,;11.46,-1.85,;10.13,-1.1,;10.13,.44,;8.8,-1.87,;8.83,-3.41,;7.49,-4.18,;7.54,-2.92,;8.2,-2.46,;7.49,-1.1,;6.16,-1.87,;6.16,-3.41,)|

BDBM50283795

OC1(C2=CN3CCC2CC3)c2ccccc2Oc2ccccc12 |t:2,(7.55,-3.18,;8.9,-3.96,;7.56,-4.74,;7.59,-6.28,;6.24,-7.05,;6.3,-5.79,;6.95,-5.32,;6.24,-3.96,;4.9,-4.74,;4.9,-6.28,;8.87,-2.41,;7.52,-1.65,;7.5,-.12,;8.83,.67,;10.19,-.08,;10.19,-1.62,;11.55,-2.37,;11.57,-3.94,;12.9,-4.67,;12.92,-6.19,;11.6,-7,;10.26,-6.24,;10.24,-4.71,)|

BDBM50283788

O=Cc1ccc(s1)C1=CN2CCC1CC2 |t:8,(13.96,-3.07,;13.05,-4.33,;11.51,-4.17,;10.74,-2.84,;9.24,-3.16,;9.08,-4.7,;10.48,-5.33,;7.76,-5.48,;7.77,-7.04,;6.44,-7.81,;6.5,-6.55,;7.15,-6.06,;6.44,-4.71,;5.11,-5.48,;5.11,-7.04,)|

BDBM50283791

C1CN2CCC1C(C2)=C1c2ccccc2-c2ccccc12 |(7.74,-3.42,;7.74,-4.98,;9.08,-5.75,;9.13,-4.49,;9.79,-4.01,;9.08,-2.65,;10.4,-3.42,;10.42,-4.98,;11.73,-2.63,;13.14,-3.26,;13.62,-4.72,;15.13,-5.03,;16.16,-3.88,;15.67,-2.42,;14.17,-2.11,;13.37,-.77,;13.84,.7,;12.81,1.83,;11.3,1.49,;10.84,.04,;11.87,-1.1,)|

BDBM50284319

C[C@@H]1OC[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12

BDBM50284320

C[C@H](O)[C@H]1[C@@H](CO)C[C@H]2CCCC[C@@H]2[C@H]1\C=C\[C@H]1CCC[C@H](C)N1C

BDBM50284322

C[C@@H]1O[C@H](OC(C)=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12

BDBM50284321

C[C@H](OC(C)=O)[C@H]1[C@@H](COC(C)=O)C[C@H]2CCCC[C@@H]2[C@H]1\C=C\[C@H]1CCC[C@H](C)N1C

BDBM50284323

C[C@@H]1O[C@H](OC(=O)C(C)(C)C)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12

BDBM50284324

C[C@@H]1O[C@H](O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@@H]12

BDBM50034651

CC1OC2(CC1=O)CCN(C)CC2

BDBM50284962

C[C@H]1OC2(CC1=O)CCN(C)CC2

BDBM50284961

C[C@@H]1OC2(CC1=O)CCN(C)CC2

BDBM50288143

CC1OC2(CC1=NNC(=O)c1ccc(cc1)C1CCCCC1)CCN(C)CC2 |w:6.7|

BDBM50288144

CC1OC2(CC1=NNC(=O)CCCC1CCCCC1)CCN(C)CC2 |w:6.7|

BDBM50288145

CC(C)CC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:7.6|

BDBM50288146

CCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:5.4|

BDBM50288147

CCCCCCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:12.11|

BDBM50288148

CC1OC2(CC1=NNC(=O)Cc1ccccc1)CCN(C)CC2 |w:6.7|

BDBM50288149

CC1OC2(CC1=NNC(=O)c1ccccc1)CCN(C)CC2 |w:6.7|

BDBM50288150

CC1OC2(CC1=NNC(=O)CC1CCCCC1)CCN(C)CC2 |w:6.7|

BDBM50288151

CC1OC2(CC1=NN(C)C(C)=O)CCN(C)CC2 |w:6.7|

BDBM50288152

CCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:8.7|

BDBM50288153

CCCCCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:11.10|

BDBM50288154

CC(C)C(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:6.5|

BDBM50288155

CC1OC2(CC1=NNC(=O)CCCc1ccccc1)CCN(C)CC2 |w:6.7|

BDBM50288156

CCCCCCCC(=O)N(C)N=C1CC2(CCN(C)CC2)OC1C |w:11.10|

BDBM50288157

CCCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:9.8|

BDBM50288158

CC1OC2(CC1=NNC(=O)C(C)(C)C)CCN(C)CC2 |w:6.7|

BDBM50288159

CC1OC2(CC1=NNC(=O)CCCCC1CCCCC1)CCN(C)CC2 |w:6.7|

BDBM50288160

CC1OC2(CC1=NNC(C)=O)CCNCC2 |w:6.7|

BDBM50288161

CCCC(=O)N(C)N=C1CC2(CCN(C)CC2)OC1C |w:7.6|

BDBM50288162

CC1OC2(CC1=NNC(N)=O)CCN(C)CC2 |w:6.7|

BDBM50288163

CC1OC2(CC1=NNC(=O)Cc1ccc3ccccc3c1)CCN(C)CC2 |w:6.7|

BDBM50288164

CCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:6.5|

BDBM50288165

CCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:7.6|

BDBM50288166

CC1OC2(CC1=NNC(C)=O)CCN(C)CC2 |w:6.7|

BDBM50288167

CCCCCCCC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:10.9|

BDBM50288168

CC1OC2(CC1=NNC(=O)C1CCCCC1)CCN(C)CC2 |w:6.7|

BDBM50288169

COC(=O)NN=C1CC2(CCN(C)CC2)OC1C |w:5.4|

BDBM50291394

CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)c1ccc(F)cc1

BDBM50291395

CCN(CCCCC1CCN(CC(=O)N2c3ccccc3N(C(=O)c3ccc(F)cc3)C(=O)c3ccccc23)CC1)C(=O)c1ccc(F)cc1

BDBM50291393

CCN(CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1)C(=O)c1cccc(I)c1

BDBM50291397

CCOC(=O)N(CC)CCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50291396

CCNCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1

BDBM50291552

CN(C)CC#CCN1OCCC1=O

BDBM50223182

O=C1CCON1CC#CCN1CCCC1

BDBM50291551

C[N+](C)(C)CC#CCN1OCCC1=O

BDBM50291550

C(OC1=NOCC1)C#CCN1CCCC1 |t:2|

BDBM50292439

[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]

BDBM50292438

[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7]

BDBM50292638

Brc1ccc(CN2CCC(CC2)C2(CCCN(C2)C(=O)Nc2ccccc2)c2ccccc2)cc1

BDBM50018553

Brc1ccc(CN2CCC(CC2)C2(CCC(=O)NC2=O)c2ccccc2)cc1

BDBM50018556

O=C1CCC(C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1

BDBM50292637

Fc1ccc(c(F)c1)C1(CCC(=O)NC1=O)C1CCN(Cc2ccc(Br)cc2)CC1

BDBM50292671

NC(=O)CN1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1

BDBM50292665

CC(=O)N1CCCC(C1)(C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1

BDBM50228363

O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1

BDBM27210

[H][C@@]1(C)N(C)C[C@]23CC[C@@]4([H])[C@@]([H])(CC=C5C[C@H](CC[C@]45C)N(C)C(=O)[C@H](NC)C(C)C)[C@]2([H])CC[C@]13[H] |r,t:14|

BDBM50297127

CN1[C@@H]2CC[C@@H]1CC(CC(CNC(N)=O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.27.6:3.4,THB:8:7:1:3.4|

BDBM50297128

CN1[C@@H]2CC[C@@H]1CC(CC(CNC(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.34.6:3.4,THB:8:7:1:3.4|

BDBM50297129

CCNC(=O)NCC(CC1C[C@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 |r,TLB:17:16:9.10.15:12.13,8:9:16:12.13|

BDBM50297130

CN1[C@@H]2CC[C@@H]1CC(CC(CNC(C)=O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.27.6:3.4,THB:8:7:1:3.4|

BDBM50297131

CN1[C@@H]2CC[C@@H]1CC(CC(CNS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.33.6:3.4,THB:8:7:1:3.4|

BDBM50297132

CN1[C@@H]2CC[C@@H]1CC(CC(CNS(C)(=O)=O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.28.6:3.4,THB:8:7:1:3.4|

BDBM50297133

CN1[C@@H]2CC[C@@H]1CC(CC(c1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.28.6:3.4,THB:8:7:1:3.4|

BDBM50297134

CN1[C@@H]2CC[C@@H]1CC(CC(C(O)=O)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.25.6:3.4,THB:8:7:1:3.4|

BDBM50297135

CN1[C@@H]2CC[C@@H]1CC(CC(C(=O)NCc1ccccc1)(c1ccccc1)c1ccccc1)C2 |r,TLB:0:1:7.32.6:3.4,THB:8:7:1:3.4|

BDBM50297305

CN(C)CCC1=C(Cc2cnccn2)c2ccccc2C1 |c:5|

BDBM50297309

C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ccccn1 |r|

BDBM50297306

CN(C)CCc1sc2ccccc2c1Cc1ccc(F)cc1

BDBM50297310

C[C@H](c1c(CCN(C)C)oc2ccccc12)c1ccccn1 |r|

BDBM50297865

CN(C1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1

BDBM50297866

CNC1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1

BDBM50297867

CN(C1CCCCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1

BDBM50297868

CN(CC1CCCCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1

BDBM50297869

CN(CCc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1

BDBM50297870

CN(Cc1ccccc1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1

BDBM50297871

CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1ccccc1

BDBM50297872

CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1ncccn1

BDBM22877

CN(C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1nccc(=O)[nH]1

BDBM50300555

CN1CCC=C(C1)C1SCC(=O)N1c1ccc(Cl)cc1 |c:4|

BDBM50300556

CN1CCC=C(C1)C1SCC(=O)N1Cc1ccccc1 |c:4|

BDBM50300557

CCN1C(SCC1=O)C1=CCCN(C)C1 |t:9|

BDBM50300558

CN1CCC=C(C1)C1SCC(=O)N1c1ccccc1 |c:4|

BDBM50300559

CCCCCCN1C(SCC1=O)C1=CCCN(C)C1 |t:13|

BDBM50300560

CCCCN1C(SCC1=O)C1=CCCN(C)C1 |t:11|

BDBM50300561

CC(C)N1C(SCC1=O)C1=CCCN(C)C1 |t:10|

BDBM50300562

CN1CCC=C(C1)C1SCC(=O)N1c1ccc(Br)cc1 |c:4|

BDBM50300563

CN1CCC=C(C1)C1SCC(=O)N1c1ccc(cc1)C(O)=O |c:4|

BDBM50300564

CN1CCC=C(C1)C1SCC(=O)N1c1ccc(Nc2ccccc2)cc1 |c:4|

BDBM50300565

CN1CCC=C(C1)C1SCC(=O)N1c1ccc(cc1)[N+]([O-])=O |c:4|

BDBM50300566

CN1CCC=C(C1)C1SCC(=O)N1c1ccc(C)cc1[N+]([O-])=O |c:4|

BDBM50300567

CN1CCC=C(C1)C1SCC(=O)N1c1cccc(O)c1 |c:4|

BDBM50301095

CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1

BDBM50301098

CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1

BDBM50304075

CN(C)Cc1nc(-c2ccc(cc2)C(C)(C)C)n(n1)-c1cccc(O)c1

BDBM50305818

FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccccc3)C(=O)C(=O)c2c1

BDBM114595

FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccc(Cl)nc3)C(=O)C(=O)c2c1

BDBM50305821

Fc1ccc(cn1)-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1

BDBM50305822

Cn1cc(cn1)-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1

BDBM50305823

COc1ccccc1-c1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1

BDBM50309861

Cc1ccc2oc(nc2n1)N1CCN2CCC1CC2 |TLB:6:10:15.14:17.18,(20.91,-29.51,;19.38,-29.74,;18.4,-28.53,;16.88,-28.77,;16.32,-30.21,;14.88,-30.76,;14.94,-32.29,;16.44,-32.7,;17.29,-31.42,;18.82,-31.19,;13.61,-33.07,;13.98,-34.53,;12.97,-33.81,;11.6,-33.88,;11.52,-32.18,;12.14,-31.03,;12.2,-32.44,;10.91,-33.15,;10.61,-34.59,)|

BDBM50313633

Cn1cc(cn1)-c1ccc(CN2C(=O)C(=O)c3ccccc23)c(F)c1

BDBM50313634

Cn1cc(cn1)-c1cc(F)c(CN2C(=O)C(=O)c3ccccc23)c(F)c1

BDBM50313635

Cn1cc(cn1)-c1ccc(CN2C(=O)C(=O)c3cccc(F)c23)c(F)c1

BDBM50313636

Cn1cc(cn1)-c1cc(F)c(CN2C(=O)C(=O)c3cccc(F)c23)c(F)c1

BDBM50313637

Cn1cc(cn1)-c1ccc(CN2C(=O)C(=O)c3c2c(F)ccc3F)c(F)c1

BDBM50313639

Cn1cc(cn1)-c1ccc(CN2C(=O)C(=O)c3ccccc23)cc1

BDBM50231856

CCN1CCN(CC1)c1ccc(NC(=O)c2ccccc2)cc1Cl

BDBM50231845

CCN1CCN(CC1)c1ccc(NC(=O)CCC2CCCC2)cc1Cl

BDBM50314590

CCN1CCN(CC1)c1ccc(NC(=O)c2ccccc2Cl)cc1Cl

BDBM50314591

CCN1CCN(CC1)c1ccc(NC(=O)c2ccccc2OC)cc1Cl

BDBM50314592

CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(C)cc2)cc1Cl

BDBM50314593

CCN1CCN(CC1)c1ccc(NC(=O)c2cccc(C)c2)cc1Cl

BDBM50314594

CCN1CCN(CC1)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl

BDBM50314595

CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(OC)cc2)cc1Cl

BDBM50314596

CCN1CCN(CC1)c1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Cl

BDBM50314597

CCN1CCN(CC1)c1ccc(NC(=O)c2cc(ccc2C(F)(F)F)C(F)(F)F)cc1Cl

BDBM50314598

CCN1CCN(CC1)c1ccc(NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc1Cl

BDBM50314599

CCN1CCN(CC1)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1Cl

BDBM50315184

CN(C)CCC1=C(Cc2cncc(C)n2)c2ccccc2C1 |c:5|

BDBM50315185

CN(C)CCC1=C(Cc2nccnc2C)c2ccccc2C1 |c:5|

BDBM50315186

CN(C)CCC1=C(Cc2cnc(C)cn2)c2ccccc2C1 |c:5|

BDBM50315187

COc1nccnc1CC1=C(CCN(C)C)Cc2ccccc12 |c:10|

BDBM50315188

CN(C)CCC1=C(Cc2cccnn2)c2ccccc2C1 |c:5|

BDBM50315189

CN(C)CCC1=C(Cc2ncccn2)c2ccccc2C1 |c:5|

BDBM50297308

C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1cnccn1 |r,c:2|

BDBM50315190

COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2ccccc12 |r,c:11|

BDBM50315191

C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1nccs1 |r,c:2|

BDBM50315192

C[C@H](C1=C(CCN(C)C)Cc2ccccc12)c1nc(C)cs1 |r,c:2|

BDBM50315193

CN(C)CCC1=C(Cc2cnccn2)c2ccc(C)cc2C1 |c:5|

BDBM50315194

COc1ccc2C(Cc3cnccn3)=C(CCN(C)C)Cc2c1 |t:14|

BDBM50315195

CN(C)CCC1=C(Cc2cnccn2)c2ccc(Cl)cc2C1 |c:5|

BDBM50315196

CN(C)CCC1=C(Cc2cnccn2)c2ccc(F)cc2C1 |c:5|

BDBM50315197

COc1nccnc1CC1=C(CCN(C)C)Cc2cc(Cl)ccc12 |c:10|

BDBM50315198

COc1nccnc1CC1=C(CCN(C)C)Cc2cc(F)ccc12 |c:10|

BDBM50315199

CN(C)CCC1=C(Cc2cccnn2)c2ccc(Cl)cc2C1 |c:5|

BDBM50315200

CN(C)CCC1=C(Cc2cccnn2)c2ccc(F)cc2C1 |c:5|

BDBM50315201

C[C@H](C1=C(CCN(C)C)Cc2cc(C)ccc12)c1cnccn1 |r,c:2|

BDBM50315202

COc1ccc2C([C@@H](C)c3cnccn3)=C(CCN(C)C)Cc2c1 |r,t:15|

BDBM50315203

COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11|

BDBM50315204

COc1ccc2C([C@@H](C)c3nccnc3OC)=C(CCN(C)C)Cc2c1 |r,t:17|

BDBM50315205

COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(F)ccc12 |r,c:11|

BDBM50315206

C[C@H](C1=C(CCN(C)C)Cc2cc(F)ccc12)c1nccs1 |r,c:2|

BDBM50315207

C[C@H](C1=C(CCN(C)C)Cc2cc(C)ccc12)c1nccs1 |r,c:2|

BDBM50315208

COc1ccc2C([C@@H](C)c3nccs3)=C(CCN(C)C)Cc2c1 |r,t:14|

BDBM50316214

CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccccc1 |c:4|

BDBM50316215

CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccc(C)cc1 |c:4|

BDBM50316216

CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccc(Cl)cc1 |c:4|

BDBM50316219

CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccccc1[N+]([O-])=O |c:4|

BDBM50316220

CN1CCC=C(C1)C1CN(CCO1)C(=O)c1cccc(c1)[N+]([O-])=O |c:4|

BDBM50316221

CN1CCC=C(C1)C1CN(CCO1)C(=O)c1ccc(cc1)[N+]([O-])=O |c:4|

BDBM50316921

CCOCCn1c(nc2ccccc12)N1CC[C@@H](C1)N(C)C |r|

BDBM50316922

COc1ccc(Cn2c(nc3ccccc23)N2CC[C@H](C2)N(C)C)cc1 |r|

BDBM50297850

Cc1cnn(c1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1

BDBM50297861

CN(CC1CCOCC1)C1CCN(CC1)c1nc2ccccc2n1Cc1ccc(F)cc1

BDBM50317865

CC(C)(C)c1ccc(SCCc2cnc[nH]2)cc1

BDBM50323040

CC(=NOC(=O)Nc1ccccc1)c1cccc(c1)-c1cccs1 |w:2.2|

BDBM50318666

C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|

BDBM50327860

CCCCN1CCC(COC(=O)c2cc(Cl)c(NC)c3OCCOc23)CC1

BDBM50327863

CCCCN1CCC(COC(=O)c2cc(F)c(N)c3OCCOc23)CC1

BDBM50327861

CCCCN1CCC(COC(=O)c2ccc(N)c(OC)c2)CC1

BDBM50175145

NCCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3|

BDBM50336544

C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O |r|

BDBM50342538

C(c1ccccc1)c1ncc2CCNCCc2n1

BDBM50343162

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)no1

BDBM50343163

COc1ccccc1Cn1cc(c2ccccc12)S(=O)(=O)CC(=O)Nc1cc(C)on1

BDBM50343164

COc1ccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)Nc2cc(C)on2)cc1

BDBM50343165

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)C(F)(F)F)c3ccccc23)no1

BDBM50343166

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)C#N)c3ccccc23)no1

BDBM50343167

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cc(Br)cc(Br)c3)c3ccccc23)no1

BDBM50343168

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)no1

BDBM50343169

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(cc3)C(F)(F)F)c3ccccc23)no1

BDBM50343170

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(OC(F)(F)F)cc3)c3ccccc23)no1

BDBM50343171

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3F)c3ccccc23)no1

BDBM50343172

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3F)c3ccccc23)no1

BDBM50343173

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3Br)c3ccccc23)no1

BDBM50343174

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)-c3cnn(C)c3)c3ccccc23)no1

BDBM50343176

CCC(C)n1cc(cn1)-c1cccc(Cn2cc(c3ccccc23)S(=O)(=O)CC(=O)Nc2cc(C)on2)c1

BDBM50343177

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)-c3ccccc3)c3ccccc23)no1

BDBM50343178

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)-c3ccc(nc3)N3CCOCC3)c3ccccc23)no1

BDBM50343179

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)-c3ccc(nc3)N3CCNCC3)c3ccccc23)no1

BDBM50343180

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(c3)-c3ccc(nc3)N3CCCC3)c3ccccc23)no1

BDBM50343181

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)c(c3)-c3cn[nH]c3)c3ccccc23)no1

BDBM50343182

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)c(Br)c3)c3ccccc23)no1

BDBM50343183

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3ccc(F)c(Cl)c3)c3ccccc23)no1

BDBM50343184

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(Br)c3F)c3ccccc23)no1

BDBM50343185

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(-c4cn[nH]c4)c3F)c3ccccc23)no1

BDBM50343186

Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cc(ccc3F)-c3cn[nH]c3)c3ccccc23)no1

BDBM50344269

O=C(O[C@H]1CN2CCC1CC2)N(CCc1ccccc1)c1ccccc1 |r,wD:3.2,(25.48,4.31,;25.48,2.77,;26.82,2,;28.15,2.77,;29.48,1.99,;30.81,2.76,;30.82,4.3,;29.49,5.07,;28.15,4.3,;28.9,2.98,;30.03,4.1,;24.15,2,;24.15,.46,;22.82,-.31,;22.82,-1.85,;21.48,-2.61,;21.48,-4.15,;22.81,-4.92,;24.15,-4.15,;24.14,-2.61,;22.82,2.77,;22.83,4.31,;21.49,5.08,;20.16,4.31,;20.16,2.76,;21.5,2,)|

BDBM50344270

O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)c1ccccc1 |r,wD:3.2,(-3.52,-8.18,;-3.52,-9.72,;-2.19,-10.49,;-.85,-9.72,;.48,-10.5,;1.81,-9.74,;1.82,-8.2,;.48,-7.42,;-.86,-8.19,;-.1,-9.51,;1.03,-8.39,;-4.85,-10.49,;-4.85,-12.03,;-6.19,-12.8,;-7.6,-12.18,;-8.63,-13.33,;-7.86,-14.66,;-6.36,-14.34,;-6.19,-9.72,;-6.19,-8.18,;-7.52,-7.41,;-8.85,-8.18,;-8.85,-9.73,;-7.52,-10.49,)|

BDBM50344271

O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccsc1)c1ccccc1 |r,wD:3.2,(10.43,-7.93,;10.43,-9.47,;11.77,-10.24,;13.1,-9.47,;14.43,-10.25,;15.76,-9.49,;15.77,-7.95,;14.44,-7.17,;13.1,-7.94,;13.85,-9.26,;14.98,-8.14,;9.1,-10.24,;9.1,-11.78,;7.77,-12.55,;6.36,-11.94,;5.33,-13.08,;6.1,-14.41,;7.61,-14.09,;7.77,-9.47,;7.78,-7.93,;6.44,-7.16,;5.11,-7.93,;5.11,-9.48,;6.45,-10.24,)|

BDBM50344272

CCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |r,wD:7.6,(23.62,-14.44,;23.62,-12.9,;24.95,-12.13,;24.95,-10.59,;26.28,-9.82,;26.28,-8.28,;27.62,-10.59,;28.95,-9.82,;30.28,-10.59,;31.61,-9.83,;31.62,-8.29,;30.29,-7.51,;28.95,-8.28,;29.7,-9.61,;30.83,-8.49,;23.62,-9.82,;23.63,-8.27,;22.29,-7.5,;20.96,-8.27,;20.96,-9.82,;22.3,-10.58,)|

BDBM50344273

CCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |r,wD:8.7,(-8.01,-25.61,;-6.68,-24.84,;-6.68,-23.3,;-5.34,-22.53,;-5.34,-20.99,;-4.01,-20.22,;-4.01,-18.68,;-2.68,-20.99,;-1.34,-20.22,;-.01,-21,;1.32,-20.24,;1.33,-18.7,;-.01,-17.92,;-1.35,-18.69,;-.59,-20.01,;.54,-18.89,;-6.68,-20.22,;-6.67,-18.68,;-8,-17.91,;-9.34,-18.68,;-9.33,-20.23,;-8,-20.99,)|

BDBM50344274

CCCCCN(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |r,wD:9.8,(12.29,-26.84,;12.29,-25.3,;10.95,-24.53,;10.95,-22.99,;9.62,-22.22,;9.62,-20.68,;10.95,-19.91,;10.95,-18.37,;12.29,-20.68,;13.62,-19.91,;14.95,-20.69,;16.28,-19.92,;16.29,-18.38,;14.96,-17.61,;13.62,-18.38,;14.37,-19.7,;15.5,-18.58,;8.29,-19.91,;8.3,-18.37,;6.96,-17.6,;5.63,-18.37,;5.63,-19.92,;6.97,-20.68,)|

BDBM50344275

CC(C)N(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |r,wD:7.6,(26.28,-23.64,;24.94,-22.87,;23.61,-23.64,;24.94,-21.33,;26.28,-20.56,;26.28,-19.02,;27.61,-21.33,;28.94,-20.56,;30.28,-21.34,;31.61,-20.58,;31.61,-19.04,;30.28,-18.26,;28.94,-19.03,;29.7,-20.35,;30.82,-19.23,;23.61,-20.56,;23.62,-19.02,;22.29,-18.25,;20.95,-19.02,;20.96,-20.57,;22.29,-21.33,)|

BDBM50344276

O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)Cc1ccccc1 |r,wD:3.2,(-3.57,-30.09,;-3.57,-31.63,;-2.23,-32.4,;-.9,-31.63,;.43,-32.41,;1.76,-31.65,;1.77,-30.11,;.44,-29.33,;-.9,-30.1,;-.15,-31.42,;.98,-30.3,;-4.9,-32.4,;-6.23,-31.63,;-7.57,-32.4,;-8.99,-31.78,;-10.02,-32.92,;-9.25,-34.26,;-7.74,-33.94,;-4.9,-33.94,;-3.57,-34.71,;-3.58,-36.25,;-2.24,-37.02,;-.91,-36.25,;-.91,-34.71,;-2.25,-33.94,)|

BDBM50344277

O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)Cc1cccs1 |r,wD:3.2,(10.96,-30.88,;10.96,-32.42,;12.3,-33.19,;13.63,-32.42,;14.96,-33.19,;16.29,-32.43,;16.3,-30.89,;14.97,-30.12,;13.62,-30.88,;14.38,-32.21,;15.51,-31.09,;9.63,-33.19,;8.3,-32.42,;8.3,-30.88,;9.53,-29.97,;9.06,-28.5,;7.52,-28.5,;7.04,-29.97,;9.63,-34.73,;8.3,-35.5,;6.89,-34.88,;5.86,-36.03,;6.63,-37.36,;8.13,-37.04,)|

BDBM50344278

CCCCN(Cc1cccs1)C(=O)O[C@H]1CN2CCC1CC2 |r,wD:14.14,(21.3,-35.16,;22.63,-34.39,;23.97,-35.16,;25.3,-34.39,;25.3,-32.85,;23.97,-32.08,;23.97,-30.54,;25.2,-29.63,;24.73,-28.16,;23.19,-28.16,;22.71,-29.63,;26.63,-32.08,;26.63,-30.54,;27.97,-32.85,;29.3,-32.08,;30.63,-32.85,;31.96,-32.09,;31.97,-30.55,;30.64,-29.77,;29.3,-30.54,;30.05,-31.87,;31.18,-30.75,)|

BDBM50344279

Cc1ccc(cc1)N(Cc1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wD:18.19,(-10.57,-40.15,;-9.24,-40.92,;-9.23,-42.47,;-7.9,-43.23,;-6.58,-42.46,;-6.57,-40.92,;-7.91,-40.15,;-5.25,-43.23,;-5.25,-44.77,;-3.92,-45.54,;-3.92,-47.08,;-2.59,-47.85,;-1.26,-47.08,;-1.26,-45.53,;-2.59,-44.77,;-3.92,-42.46,;-3.92,-40.92,;-2.58,-43.23,;-1.25,-42.46,;.08,-43.24,;1.41,-42.47,;1.42,-40.93,;.09,-40.16,;-1.25,-40.93,;-.5,-42.25,;.63,-41.13,)|

BDBM50344280

Fc1ccc(cc1)N(Cc1ccccc1)C(=O)O[C@H]1CN2CCC1CC2 |r,wD:18.19,(3.95,-40.95,;5.29,-41.72,;6.62,-40.95,;7.95,-41.72,;7.95,-43.26,;6.62,-44.03,;5.29,-43.27,;9.28,-44.03,;9.28,-45.57,;7.95,-46.34,;6.61,-45.56,;5.28,-46.33,;5.28,-47.87,;6.62,-48.64,;7.95,-47.87,;10.61,-43.26,;10.61,-41.72,;11.95,-44.03,;13.28,-43.26,;14.61,-44.04,;15.94,-43.27,;15.95,-41.73,;14.62,-40.96,;13.27,-41.73,;14.03,-43.05,;15.16,-41.93,)|

BDBM50344281

Fc1cccc(CN(C(=O)O[C@H]2CN3CCC2CC3)c2cccc(F)c2)c1 |r,wD:11.10,(23.52,-50.24,;23.52,-48.7,;22.17,-47.93,;22.18,-46.38,;23.51,-45.62,;24.84,-46.39,;26.17,-45.62,;26.17,-44.08,;27.51,-43.31,;27.51,-41.77,;28.84,-44.08,;30.17,-43.31,;31.5,-44.09,;32.83,-43.33,;32.84,-41.79,;31.51,-41.01,;30.17,-41.78,;30.92,-43.1,;32.05,-41.98,;24.84,-43.31,;23.52,-44.08,;22.19,-43.32,;22.18,-41.77,;23.52,-41,;23.52,-39.46,;24.85,-41.77,;24.84,-47.92,)|

BDBM50344282

Cc1cccc(c1)N(Cc1cc(F)c(F)cc1F)C(=O)O[C@H]1CN2CCC1CC2 |r,wD:21.22,(-3.76,3.63,;-3.76,2.09,;-5.1,1.32,;-5.09,-.22,;-3.76,-.99,;-2.43,-.22,;-2.43,1.32,;-1.1,-.99,;-1.1,-2.53,;-2.43,-3.3,;-3.77,-2.53,;-5.1,-3.29,;-6.43,-2.52,;-5.1,-4.84,;-6.43,-5.61,;-3.76,-5.61,;-2.43,-4.83,;-1.09,-5.6,;.24,-.22,;.24,1.32,;1.57,-.99,;2.9,-.22,;4.24,-.99,;5.57,-.23,;5.57,1.31,;4.24,2.08,;2.9,1.32,;3.66,-.01,;4.78,1.11,)|

BDBM50344283

Fc1cccc(c1)N(Cc1cc(F)c(F)c(F)c1)C(=O)O[C@H]1CN2CCC1CC2 |r,wD:21.22,(13.85,4.33,;13.85,2.79,;12.51,2.02,;12.52,.47,;13.85,-.29,;15.18,.47,;15.18,2.02,;16.51,-.3,;16.51,-1.84,;15.18,-2.61,;13.84,-1.83,;12.51,-2.6,;11.18,-1.83,;12.51,-4.14,;11.18,-4.92,;13.85,-4.91,;13.86,-6.45,;15.18,-4.14,;17.85,.47,;17.85,2.01,;19.18,-.3,;20.51,.47,;21.84,-.3,;23.17,.46,;23.18,2,;21.85,2.78,;20.51,2.01,;21.26,.68,;22.39,1.8,)|

BDBM50344284

O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1 |r,wD:3.2,20.24,THB:2:3:9.10:7.6,(12.11,-12.08,;13.44,-12.86,;14.78,-12.1,;14.78,-10.57,;14.5,-9.18,;13.16,-8.57,;13.23,-6.92,;13.67,-8.04,;13.42,-9.94,;11.89,-10.59,;11.69,-9.21,;13.43,-14.39,;14.77,-15.19,;14.73,-16.74,;13.38,-17.48,;13.37,-19.02,;12.02,-19.77,;10.7,-18.97,;10.72,-17.43,;12.06,-16.69,;12.08,-15.14,;10.76,-14.35,;9.42,-15.1,;8.1,-14.31,;8.13,-12.76,;9.47,-12.02,;10.79,-12.81,)|

BDBM50344285

O=C(Nc1ccccc1-c1ccccc1)OC12CCN(CC1)CC2

BDBM50344286

O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 |r,wD:3.2,(-.95,-13.02,;-.95,-14.56,;.39,-15.33,;1.72,-14.56,;3.05,-15.34,;4.38,-14.57,;5.71,-15.34,;7.04,-14.57,;8.38,-15.34,;8.37,-16.87,;9.71,-17.64,;11.04,-16.87,;11.03,-15.32,;9.7,-14.56,;4.39,-13.03,;3.06,-12.26,;1.72,-13.03,;2.47,-14.35,;3.6,-13.23,;-2.28,-15.33,;-2.28,-16.87,;-3.61,-17.64,;-4.94,-16.86,;-6.28,-17.63,;-6.28,-19.17,;-4.93,-19.94,;-3.61,-19.17,;-3.61,-14.56,;-3.6,-13.02,;-4.94,-12.25,;-6.27,-13.02,;-6.27,-14.57,;-4.93,-15.33,)|

BDBM50344287

O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 |r,wD:3.2,(20.32,-12.49,;20.32,-14.03,;21.65,-14.8,;22.99,-14.03,;24.32,-14.81,;25.65,-14.04,;26.97,-14.81,;28.31,-14.04,;29.64,-14.81,;30.97,-14.04,;32.3,-14.81,;33.63,-14.04,;33.63,-12.5,;32.29,-11.73,;30.96,-12.5,;25.66,-12.5,;24.32,-11.73,;22.98,-12.5,;23.74,-13.82,;24.87,-12.7,;18.99,-14.8,;18.99,-16.34,;17.65,-17.11,;16.32,-16.33,;14.99,-17.1,;14.99,-18.64,;16.33,-19.41,;17.66,-18.64,;17.65,-14.03,;17.66,-12.49,;16.33,-11.72,;14.99,-12.49,;15,-14.04,;16.33,-14.8,)|

BDBM50344288

O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 |r,wD:3.2,(.46,-25.61,;.46,-27.15,;1.8,-27.92,;3.13,-27.15,;4.46,-27.93,;5.79,-27.17,;7.12,-27.93,;8.45,-27.16,;9.78,-27.93,;11.12,-27.16,;11.28,-25.62,;12.78,-25.3,;13.55,-26.63,;12.52,-27.78,;5.8,-25.63,;4.47,-24.85,;3.12,-25.62,;3.88,-26.94,;5.01,-25.82,;-.87,-27.92,;-.87,-29.46,;-2.2,-30.23,;-3.54,-29.45,;-4.87,-30.22,;-4.87,-31.76,;-3.53,-32.53,;-2.2,-31.76,;-2.2,-27.15,;-2.2,-25.61,;-3.53,-24.84,;-4.86,-25.61,;-4.86,-27.16,;-3.53,-27.92,)|

BDBM50344289

O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1 |r,wD:3.2,(22.07,-23.51,;22.07,-25.05,;23.4,-25.82,;24.74,-25.05,;26.07,-25.83,;27.4,-25.07,;28.72,-25.83,;30.06,-25.06,;31.39,-25.83,;32.72,-25.06,;34.05,-25.83,;35.38,-25.06,;35.38,-23.52,;34.04,-22.75,;32.71,-23.53,;27.41,-23.53,;26.07,-22.75,;24.73,-23.52,;25.49,-24.84,;26.62,-23.72,;20.74,-25.82,;20.74,-27.36,;19.4,-28.13,;18.07,-27.35,;16.74,-28.12,;16.74,-29.66,;18.08,-30.43,;19.41,-29.66,;19.4,-25.05,;19.41,-23.51,;18.08,-22.74,;16.74,-23.51,;16.75,-25.06,;18.08,-25.82,)|

BDBM50344290

C[N+]12CCC(CC1)[C@H](C2)OC(=O)N(Cc1cccs1)c1ccccc1 |r|

BDBM50344291

O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1cccs1)c1ccccc1 |r,wD:3.2,(21.03,-39.07,;21.03,-40.61,;22.36,-41.38,;23.69,-40.61,;25.03,-41.38,;26.36,-40.62,;27.68,-41.39,;29.01,-40.61,;30.35,-41.38,;31.68,-40.61,;31.84,-39.07,;33.35,-38.75,;34.12,-40.09,;33.09,-41.23,;26.36,-39.08,;25.03,-38.31,;23.69,-39.07,;24.45,-40.4,;25.57,-39.28,;19.69,-41.38,;19.69,-42.92,;18.36,-43.69,;16.95,-43.07,;15.92,-44.21,;16.69,-45.55,;18.19,-45.23,;18.36,-40.61,;18.37,-39.07,;17.04,-38.3,;15.7,-39.07,;15.71,-40.61,;17.04,-41.38,)|

BDBM50344292

O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1cccs1)c1ccccc1 |r,wD:3.2,(-.81,1.63,;-.81,.09,;.52,-.68,;1.85,.09,;3.19,-.68,;4.52,.08,;5.84,-.68,;7.17,.09,;8.51,-.68,;9.84,.09,;11.17,-.69,;12.5,.08,;12.5,1.63,;11.16,2.39,;9.83,1.62,;4.52,1.62,;3.19,2.39,;1.85,1.63,;2.61,.3,;3.73,1.42,;-2.15,-.68,;-2.15,-2.22,;-3.48,-2.99,;-4.89,-2.37,;-5.92,-3.51,;-5.15,-4.84,;-3.65,-4.52,;-3.48,.09,;-3.47,1.64,;-4.8,2.41,;-6.14,1.64,;-6.13,.09,;-4.8,-.68,)|

BDBM50344293

O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 |r,wD:3.2,(21.62,.98,;21.62,-.56,;22.95,-1.33,;24.29,-.56,;25.62,-1.34,;26.95,-.57,;28.27,-1.34,;29.61,-.57,;30.94,-1.34,;32.27,-.57,;32.43,.97,;33.93,1.29,;34.71,-.05,;33.68,-1.19,;26.95,.97,;25.62,1.74,;24.28,.97,;25.04,-.35,;26.16,.77,;20.28,-1.33,;20.28,-2.87,;18.95,-3.64,;17.55,-3.02,;16.52,-4.16,;17.29,-5.49,;18.79,-5.17,;18.95,-.56,;18.96,.98,;17.63,1.75,;16.29,.98,;16.3,-.57,;17.63,-1.33,)|

BDBM50344294

O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)N(Cc1ccsc1)c1ccccc1 |r,wD:3.2,(.53,-12.66,;.53,-14.2,;1.87,-14.97,;3.2,-14.2,;4.53,-14.98,;5.86,-14.22,;7.19,-14.98,;8.52,-14.21,;9.85,-14.98,;11.19,-14.21,;12.51,-14.98,;13.85,-14.21,;13.85,-12.67,;12.5,-11.9,;11.18,-12.68,;5.87,-12.68,;4.54,-11.9,;3.19,-12.67,;3.95,-13.99,;5.08,-12.87,;-.8,-14.97,;-.8,-16.51,;-2.13,-17.28,;-3.54,-16.66,;-4.57,-17.8,;-3.8,-19.14,;-2.29,-18.82,;-2.13,-14.2,;-2.13,-12.66,;-3.46,-11.89,;-4.79,-12.66,;-4.79,-14.21,;-3.46,-14.97,)|

BDBM50344295

CCCCN(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)c1ccccc1 |r,wD:8.7,(18.9,-16.34,;20.24,-15.57,;21.57,-16.34,;22.91,-15.57,;22.91,-14.03,;24.24,-13.26,;24.24,-11.72,;25.57,-14.03,;26.91,-13.26,;28.24,-14.04,;29.57,-13.27,;30.89,-14.04,;32.23,-13.27,;33.56,-14.04,;33.56,-15.57,;34.89,-16.34,;36.22,-15.57,;36.22,-14.02,;34.88,-13.26,;29.58,-11.73,;28.24,-10.96,;26.9,-11.73,;27.66,-13.05,;28.79,-11.93,;21.57,-13.26,;21.58,-11.72,;20.25,-10.95,;18.91,-11.72,;18.92,-13.27,;20.25,-14.03,)|

BDBM50344296

CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)c1ccccc1 |r,wD:8.7,(-3.06,-29.35,;-1.73,-28.58,;-.39,-29.35,;.94,-28.58,;.94,-27.04,;2.27,-26.27,;2.27,-24.73,;3.61,-27.04,;4.94,-26.27,;6.27,-27.05,;7.6,-26.29,;8.93,-27.05,;10.26,-26.28,;11.6,-27.05,;12.93,-26.28,;14.26,-27.05,;15.59,-26.28,;15.59,-24.74,;14.25,-23.97,;12.92,-24.75,;7.61,-24.75,;6.28,-23.97,;4.94,-24.74,;5.69,-26.06,;6.82,-24.94,;-.39,-26.27,;-.38,-24.73,;-1.72,-23.96,;-3.05,-24.73,;-3.05,-26.28,;-1.71,-27.04,)|

BDBM50344297

CCCCN(C(=O)O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)c1ccccc1 |r,wD:8.7,(18.41,-29.52,;19.75,-28.75,;21.08,-29.52,;22.42,-28.75,;22.42,-27.21,;23.75,-26.44,;23.75,-24.9,;25.08,-27.21,;26.42,-26.44,;27.75,-27.21,;29.08,-26.45,;30.4,-27.21,;31.74,-26.44,;33.07,-27.21,;34.4,-26.44,;34.56,-24.9,;36.07,-24.58,;36.84,-25.91,;35.81,-27.06,;29.09,-24.91,;27.75,-24.14,;26.41,-24.9,;27.17,-26.23,;28.3,-25.11,;21.08,-26.44,;21.09,-24.89,;19.76,-24.12,;18.42,-24.89,;18.43,-26.44,;19.76,-27.21,)|

BDBM50344298

CCCCN(C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)c1ccccc1 |r,wD:8.7,(-5.8,-41.35,;-4.46,-40.58,;-3.13,-41.35,;-1.8,-40.58,;-1.8,-39.04,;-.46,-38.27,;-.46,-36.73,;.87,-39.04,;2.2,-38.27,;3.54,-39.05,;4.87,-38.29,;6.19,-39.05,;7.52,-38.28,;8.86,-39.05,;10.19,-38.28,;11.52,-39.05,;12.85,-38.28,;12.85,-36.74,;11.51,-35.97,;10.18,-36.75,;4.87,-36.75,;3.54,-35.97,;2.2,-36.74,;2.96,-38.06,;4.08,-36.94,;-3.13,-38.27,;-3.12,-36.73,;-4.45,-35.96,;-5.79,-36.73,;-5.78,-38.28,;-4.45,-39.04,)|

BDBM50344299

Cc1cccc(c1)N(Cc1cc(F)c(F)cc1F)C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2 |r,wD:21.22,(-4.97,4.35,;-4.97,2.81,;-6.31,2.04,;-6.3,.49,;-4.97,-.27,;-3.65,.5,;-3.64,2.04,;-2.32,-.27,;-2.32,-1.81,;-3.65,-2.58,;-4.98,-1.8,;-6.31,-2.57,;-7.65,-1.8,;-6.32,-4.11,;-7.65,-4.89,;-4.97,-4.88,;-3.65,-4.11,;-2.31,-4.87,;-.98,.5,;-.98,2.04,;.35,-.27,;1.68,.5,;3.01,-.28,;4.34,.48,;5.67,-.28,;7,.49,;8.34,-.28,;9.67,.49,;11,-.28,;12.33,.49,;12.33,2.03,;10.99,2.8,;9.66,2.02,;4.35,2.02,;3.02,2.8,;1.68,2.03,;2.43,.71,;3.56,1.83,)|

BDBM50344300

Cc1cccc(c1)N(Cc1cc(F)c(F)cc1F)C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2 |r,wD:21.22,(19.44,3.82,;19.44,2.28,;18.1,1.51,;18.11,-.04,;19.44,-.8,;20.76,-.03,;20.77,1.51,;22.1,-.8,;22.1,-2.34,;20.76,-3.11,;19.43,-2.33,;18.1,-3.1,;16.77,-2.33,;18.1,-4.64,;16.77,-5.41,;19.44,-5.41,;20.77,-4.64,;22.11,-5.4,;23.43,-.03,;23.43,1.51,;24.76,-.8,;26.1,-.03,;27.43,-.81,;28.76,-.04,;30.08,-.81,;31.42,-.04,;32.75,-.81,;34.08,-.04,;35.41,-.81,;36.74,-.04,;36.74,1.5,;35.4,2.27,;34.07,1.5,;28.77,1.5,;27.43,2.27,;26.09,1.5,;26.85,.18,;27.98,1.3,)|

BDBM50344301

Fc1cccc(c1)N(Cc1cc(F)c(F)c(F)c1)C(=O)O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2 |r,wD:21.22,(-3.92,-9.63,;-3.92,-11.17,;-5.25,-11.94,;-5.25,-13.49,;-3.91,-14.25,;-2.59,-13.48,;-2.58,-11.94,;-1.26,-14.25,;-1.26,-15.79,;-2.59,-16.56,;-3.92,-15.78,;-5.26,-16.55,;-6.59,-15.78,;-5.26,-18.09,;-6.59,-18.86,;-3.91,-18.86,;-3.91,-20.4,;-2.59,-18.09,;.07,-13.48,;.07,-11.94,;1.41,-14.25,;2.74,-13.48,;4.07,-14.26,;5.4,-13.49,;6.73,-14.26,;8.06,-13.49,;9.4,-14.25,;10.73,-13.48,;12.06,-14.26,;13.39,-13.49,;13.39,-11.95,;12.04,-11.18,;10.72,-11.95,;5.41,-11.95,;4.08,-11.18,;2.74,-11.94,;3.49,-13.27,;4.62,-12.15,)|

BDBM50344302

O=C(O[C@H]1CN2CCC1CC2)N(c1ccccc1)c1ccccc1 |r,wD:3.2,(-4.13,3.23,;-4.13,1.69,;-2.8,.92,;-1.47,1.69,;-.13,.92,;1.19,1.68,;1.2,3.22,;-.13,3.99,;-1.47,3.23,;-.71,1.9,;.41,3.02,;-5.46,.92,;-5.46,-.61,;-6.8,-1.38,;-6.8,-2.92,;-5.47,-3.69,;-4.13,-2.91,;-4.14,-1.38,;-6.79,1.69,;-6.79,3.23,;-8.12,4,;-9.46,3.23,;-9.45,1.69,;-8.12,.93,)|

BDBM50344303

O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)c1ccccc1 |r,wD:3.2,(10.51,3.48,;10.51,1.94,;11.85,1.17,;13.18,1.94,;14.51,1.17,;15.84,1.93,;15.85,3.47,;14.51,4.25,;13.17,3.48,;13.93,2.15,;15.06,3.27,;9.18,1.17,;9.18,-.37,;7.84,-1.14,;6.51,-.36,;5.18,-1.13,;5.18,-2.67,;6.52,-3.44,;7.85,-2.66,;7.84,1.94,;7.85,3.49,;6.52,4.26,;5.19,3.49,;5.19,1.94,;6.52,1.18,)|

BDBM50345754

CN1CCN(Cc2ccc3n(cc(Cl)c3c2)S(=O)(=O)c2ccc(F)cc2)CC1

BDBM50345777

CCN1CCN(Cc2ccc3n(ccc3c2)S(=O)(=O)c2ccccc2Br)CC1

BDBM50347782

Fc1ccc(OCCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)cc1

BDBM50347783

Cc1cc2n(C3CCN(CC3)C3CCOCC3)c(=O)[nH]c2cc1F

BDBM50351402

Cn1c2cc(N3CCC[C@@](C)(N)C3)n(Cc3cc(F)ccc3C#N)c2c(=O)n(C)c1=O |r|

BDBM50355622

CC(C)(CCC(C(N)=O)(c1ccccc1)c1ccccc1)N1CC(C1)Oc1cccc(O)c1

BDBM50296345

C[N+]1(C)[C@@H]2C[C@H](C[C@@H]1[C@@H]1O[C@H]21)OC(=O)C(O)(c1cccs1)c1cccs1 |TLB:11:5:1:8.10|

BDBM50355610

CC(C)[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3)C

BDBM50356967

CCOC(=O)N1CCC(CC1)N1CCC[C@@H](C1)NC(=O)c1ccccc1C |r|

BDBM50356966

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r|

BDBM50356968

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)cc1C |r|

BDBM50356969

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r|

BDBM50356970

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(F)c1 |r|

BDBM50356971

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(OC)c1 |r|

BDBM50356974

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(F)c(F)c1 |r|

BDBM50356975

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(C)cc1 |r|

BDBM50356976

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCCC1 |r|

BDBM50356977

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccs1 |r|

BDBM50356978

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(OC)cc1 |r|

BDBM50356972

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccccc1Cl |r|

BDBM50356973

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)C1CCCC1 |r|

BDBM50358783

Oc1ccc(C(=O)COc2ccccc2Br)c(O)c1

BDBM50316938

CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1

BDBM50361000

Fc1ccc(Cn2c(nc3ccccc23)[C@@H]2CCCNC2)cc1 |r|

BDBM50316940

CN1CCC[C@H](C1)c1nc2ccccc2n1Cc1ccc(F)cc1 |r|

BDBM50360994

CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1Cc1ccc(F)cc1

BDBM50360998

Fc1ccc(Cn2c(nc3ccccc23)C2CCCN(Cc3ncco3)C2)cc1

BDBM50361001

C(Cn1c(nc2ccccc12)C1CCCNC1)Oc1ccccc1

BDBM50316936

CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1

BDBM50361003

CN(C)C(=O)CN1CCCC(C1)c1nc2ccccc2n1CCOc1ccccc1

BDBM50361005

Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCO2)cc1 |r|

BDBM50361006

Cc1ccc(Cn2c(nc3ccccc23)C2CNCCO2)cc1C

BDBM50361007

Cc1ccc(Cn2c(nc3ccccc23)C2CNCCS2)cc1

BDBM50361008

Fc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|

BDBM50361009

COc1ccc(Cn2c(nc3ccccc23)[C@H]2CNCCS2)cc1 |r|

BDBM50362367

O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ccncc1

BDBM50362368

Cc1cnccc1N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12

BDBM50362369

Fc1cc(ccn1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12

BDBM50362370

Clc1cc(ccn1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12

BDBM50362371

O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ccccn1

BDBM50362372

Clc1ccnc(c1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12

BDBM50362373

Fc1cccc(n1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12

BDBM50362374

Clc1cccc(n1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12

BDBM50362375

Cc1ccnc(c1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12

BDBM50362376

Cc1cccc(n1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12

BDBM50362377

Brc1ccc(nc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12

BDBM50362378

O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ncccn1

BDBM50362379

Clc1cnc(nc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nsnc12

BDBM50362380

O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1nccs1

BDBM50362381

O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1nc2ccccc2s1

BDBM50362382

O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1nc2ccccc2o1

BDBM50362383

Brc1ccc(nc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2nonc12

BDBM50362384

O=C(CCNS(=O)(=O)c1cccc2nonc12)N1CCN(CC1)c1ccncc1

BDBM50362385

Cc1ccc2nonc2c1S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccc(Br)cn1

BDBM50362386

Cc1ccc2nonc2c1S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccncc1

BDBM50362387

Clc1ccc2nonc2c1S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccc(Br)cn1

BDBM50362388

Cc1ccc2nsnc2c1S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccncc1

BDBM50362389

Fc1ccc(c2nonc12)S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccc(Br)cn1

BDBM50362390

O=C(CCNS(=O)(=O)c1ccc2nsnc2c1)N1CCN(CC1)c1ccncc1

BDBM50362391

Brc1ccc(nc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2ccccc12

BDBM50362392

O=C(CCNS(=O)(=O)c1cccc2scnc12)N1CCN(CC1)c1ccncc1

BDBM50362393

Brc1ccc(nc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2ncccc12

BDBM50362395

Brc1ccc(nc1)N1CCN(CC1)C(=O)CCNS(=O)(=O)c1cccc2cccnc12

BDBM50362396

CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccncc1

BDBM50362397

COc1cccc(c1)S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccc(Br)cn1

BDBM50362398

O=C(CCNS(=O)(=O)c1cccnc1)N1CCN(CC1)c1ccncc1

BDBM50362399

CC(=O)Nc1nc(C)c(s1)S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccc(Br)cn1

BDBM50362400

O=C(CCNS(=O)(=O)c1cccc(c1)-n1cnnn1)N1CCN(CC1)c1ccncc1

BDBM50362401

O=S(=O)(NCCCN1CCN(CC1)c1ccncc1)c1cccc2nsnc12

BDBM50362402

CN(CCC(=O)N1CCN(CC1)c1ccncc1)S(=O)(=O)c1cccc2nsnc12

BDBM50364147

COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2c(C#N)c(N3CCC[C@H](N)C3)n(Cc3ccccc3)c2c1=O |r|

BDBM50364148

CC#CCn1c(N2CCCNCC2)c(C#N)c2ncn(Cc3nc(C)c4ccccc4n3)c(=O)c12

BDBM50364149

CC#CCn1c(N2CCCNCC2)c(C#N)c2ncn(Cc3ncc4ccccc4n3)c(=O)c12

BDBM50364150

CC#CCn1c(N2CCCNCC2)c(C#N)c2ncn(Cc3nccc4ccccc34)c(=O)c12

BDBM50364151

O=c1n(Cc2nccc3ccccc23)cnc2c(C#N)c(N3CCCNCC3)n(Cc3ccccc3)c12

BDBM50364152

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-2)c(C#N)c2ncn(-[#6]-c3nccc4ccccc34)c(=O)c12

BDBM50364153

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2ncn(-[#6])c(=O)c12 |r|

BDBM50364154

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2ncn(-[#6]-c3ncc4ccccc4n3)c(=O)c12 |r|

BDBM50364155

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2ncn(-[#6]-c3nc(-[#6])c4ccccc4n3)c(=O)c12 |r|

BDBM50364156

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2ncn(-[#6]-c3nccc4ccccc34)c(=O)c12 |r|

BDBM50364157

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2ncn(-[#6]-c3ccnc4ccccc34)c(=O)c12 |r|

BDBM50364158

[#6]-[#8]-c1cccc(c1)-[#6](=O)-[#6]-n1cnc2c(C#N)c(-[#7]-3-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O |r|

BDBM50364159

[#6]-[#8]-c1cccc(c1)-[#6](=O)-[#6]-n1cnc2c(C#N)c(-[#7]-3-[#6]-[#6]-[#6]-[#6@@H](-[#7])-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O |r|

BDBM50364160

CC#CCn1c(N2CCC[C@H](N)C2)c(C#N)c2ncn(Cc3nccc4ccccc34)c(=O)c12 |r|

BDBM50364161

CC#CCn1c(N2CCC[C@H](N)C2)c(C#N)c2ncn(Cc3ccnc4ccccc34)c(=O)c12 |r|

BDBM50364162

COc1cccc(c1)C(=O)Cn1cnc2c(C#N)c(N3CCC[C@H](N)C3)n(CC#CC)c2c1=O |r|

BDBM50364163

COc1cccc(c1)C(=O)Cn1cnc2c(C#N)c(N3CCC[C@@H](N)C3)n(CC#CC)c2c1=O |r|

BDBM50364164

c1ccc(cc1)Cn2c3c(c(c2N4CCC[C@@H](C4)N)C#N)N=CN(C3=O)Cc5ccnc6c5cccc6

BDBM50364165

COc1cccc(c1)C(=O)Cn1cnc2c(C#N)c(N3CCC[C@H](N)C3)n(Cc3ccccc3)c2c1=O |r|

BDBM50364166

COc1cccc(c1)C(=O)Cn1cnc2c(C#N)c(N3CCC[C@@H](N)C3)n(Cc3ccccc3)c2c1=O |r|

BDBM50364146

Cn1cnc2c(C#N)c(N3CCC[C@H](N)C3)n(Cc3ccccc3)c2c1=O |r|

BDBM50364145

[#6]-[#8]-c1cccc(c1)-[#6](=O)-[#6]-n1cnc2c(C#N)c(-[#7]-3-[#6]-[#6]-[#7]-[#6]-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O

BDBM50364144

COc1cccc(c1)C(=O)Cn1cnc2c(C#N)c(N3CCNCC3)n(CC#CC)c2c1=O

BDBM50364143

COc1cccc(c1)C(=O)Cn1cnc2c(C#N)c(N3CCNCC3)n(Cc3ccccc3)c2c1=O

BDBM50364142

Cn1cnc2c(C#N)c(N3CCNCC3)n(Cc3ccccc3)c2c1=O

BDBM50364186

CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3c(cnc4ccccc34)C#N)c(=O)c12

BDBM50364187

CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3ncc4ccccc4c3C#N)c(=O)c12

BDBM50364168

CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12

BDBM50364169

CC#CCn1c(N2CCCNCC2)c(C#N)c2n(C)c(=O)n(Cc3nccc4ccccc34)c(=O)c12

BDBM50364185

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3c(cnc4ccccc34)C#N)c(=O)c12

BDBM50364182

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3cn4ccccc4n3)c(=O)c12

BDBM50364184

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3ncc4ccccc4c3C#N)c(=O)c12

BDBM50364181

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3nccc4ccccc34)c(=O)c12

BDBM50364183

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3nc(-[#6])c4ccccc4n3)c(=O)c12

BDBM50364179

[#6]-[#8]-c1cccc(c1)-[#6](=O)-[#6]-n1c(=O)n(-[#6])c2c(C#N)c(-[#7]-3-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O

BDBM50364178

CC#CCn1c(N2CCC[C@@H](N)C2)c(C#N)c2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12 |r|

BDBM50364180

CC#CCn1c(N2CCC[C@H](N)C2)c(C#N)c2n(C)c(=O)n(Cc3nc(C)c4ccccc4n3)c(=O)c12 |r|

BDBM50364177

COc1cccc(c1)C(=O)Cn1c(=O)n(C)c2c(C#N)c(N3CCC[C@H](N)C3)n(CC#CC)c2c1=O |r|

BDBM50364176

CC#CCn1c(N2CCC[C@H](N)C2)c(C#N)c2n(C)c(=O)n(Cc3nccc4ccccc34)c(=O)c12 |r|

BDBM50364175

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3ncccc3C#N)c(=O)c12 |r|

BDBM50364167

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3nc(-[#6])c4ccccc4n3)c(=O)c12 |r|

BDBM50364174

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3cnc4ccccc4n3)c(=O)c12 |r|

BDBM50364173

[#6]\[#6](-[#6])=[#6]\[#6]-n1c(-[#7]-2-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-2)c(C#N)c2n(-[#6])c(=O)n(-[#6]-c3nccc4ccccc34)c(=O)c12 |r|

BDBM50364171

[#6]-[#8]-c1cccc(c1)-[#6](=O)-[#6]-n1c(=O)n(-[#6])c2c(C#N)c(-[#7]-3-[#6]-[#6]-[#6]-[#6@H](-[#7])-[#6]-3)n(-[#6]\[#6]=[#6](\[#6])-[#6])c2c1=O |r|

BDBM50364172

Cn1c2c(C#N)c(N3CCC[C@H](N)C3)n(Cc3ccccc3)c2c(=O)n(C)c1=O |r|

BDBM50364170

Cn1c2c(C#N)c(N3CCC[C@H](N)C3)n(Cc3ccccc3)c2c(=O)n(Cc2nccc3ccccc23)c1=O |r|

BDBM50364326

COc1cc(OC(C)C)cc(c1)S(=O)(=O)c1ccc2[C@@H]3CCNC[C@@H]3Oc2c1 |r|

BDBM50137976

CN1CCN(CC1)C1=Cn2cccc2Sc2ccccc12 |t:8|

BDBM50137980

CN1CCN(CC1)C1=Cn2c(C)ccc2Sc2ccccc12 |t:8|

BDBM50137978

CN1CCN(CC1)[C@@H]1Cn2cccc2Sc2ccc(Cl)cc12

CC1OC2(CS1)CCN(C)CC2

CC1SCC2(CCN(C)CC2)S1

CC1OCC2(CCN(C)CC2)S1

[H][C@]1([#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)[C@@]([H])([#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6]1=O)[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-1-[#6]-[#6@@H](-[#6]-c2ccccc-12)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#8])[#6@@H](-[#6])-[#6]-[#6]

BDBM50280549

C[C@@H]1OCC2(CCN(C)C2)O1

BDBM50280535

C[C@@H]1OC2(CS1)CN1CCC2CC1 |wU:1.0,TLB:4:3:11.12:9.8,THB:2:3:11.12:9.8,(.21,-.57,;1.01,-1.91,;.38,-3.34,;1.55,-4.38,;2.87,-3.58,;2.54,-2.07,;.71,-5.22,;.71,-6.59,;2.3,-7.55,;3.1,-6.4,;1.55,-5.48,;-.16,-6.25,;-.96,-7.48,)|

BDBM50280548

COC1OCC2(CCN(C)CC2)O1

BDBM50067479

C[C@H]1OCC2(CN3CCC2C3)O1 |TLB:3:4:10:8.7,THB:11:4:10:8.7|

BDBM50449645

C[C@H]1OC2(CS1)CN1CCC2CC1 |r,wD:1.0,(26.77,-12.75,;25.3,-13.54,;24.07,-12.62,;22.81,-13.51,;23.3,-15.01,;24.79,-15.01,;22.81,-11.93,;21.47,-11.16,;20.92,-12.45,;22.01,-13.12,;21.47,-14.28,;20.15,-13.51,;20.15,-11.98,)|

BDBM50280547

C[C@@H]1OCC2(CCN(C)CC2)O1

BDBM50449647

C[C@@H]1OCC2(CCN(C)C2)S1 |r|

BDBM50280553

CN1CCC2(COC(O2)(c2ccccc2)c2ccccc2)CC1

BDBM50280538

CN1CCC2(COC(C)(C)O2)CC1

BDBM50280556

CC1C(=O)CC2(CCN(C)CC2)C1=O

BDBM50280537

CCC1OCC2(CCN(C)CC2)O1

BDBM50280558

CCC1C(=O)CC2(CCN(C)CC2)C1=O

BDBM50449646

C[C@H]1OC2(CCN(C)C2)CS1 |r|

BDBM50280555

CC1OCC2(CC[N+](C)(C)CC2)O1

BDBM50034640

CC1OCC2(CCN(C)CC2)O1

BDBM50280546

CN1CCC2(COC(O2)c2ccccc2)CC1

BDBM50280536

C[C@H]1OCC2(CCN(C)CC2)O1

BDBM50280557

CN1CCC2(COCO2)CC1

BDBM50280540

CC1OC[C@@]2(CN3CCC2C3)O1 |TLB:3:4:10:8.7,THB:11:4:10:8.7|

BDBM50280545

CC1OCC2(CCNCC2)O1

BDBM50280554

CN1CCC2(COC(O2)C#C)CC1

BDBM50280550

C[C@@H]1OCC2(CN3CCC2C3)O1 |TLB:11:4:10:8.7,THB:3:4:10:8.7|

BDBM50289120

CC1CC[NH+](CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1 |(12.85,-13.4,;12.69,-11.8,;11.32,-11.17,;11.19,-9.63,;12.48,-8.72,;12.36,-7.22,;10.96,-6.53,;9.68,-7.39,;10.84,-4.96,;12.17,-4.19,;13.39,-5.12,;14.84,-4.54,;15.03,-3.07,;13.83,-2.1,;12.39,-2.69,;11.35,-1.55,;11.88,-.08,;9.79,-1.68,;8.93,-2.98,;7.41,-2.67,;6.4,-3.79,;6.89,-5.24,;8.36,-5.55,;9.4,-4.42,;13.86,-9.38,;13.99,-10.92,)|

BDBM50450592

c1ccc(cc1)C(c2ccccc2)(C(=O)O[C@H]3CN4CCC3CC4)O

BDBM50291592

CCN(CC)CC#CCN1C(=O)NC(C1=O)(c1ccccc1)c1ccccc1

BDBM50291591

CCN(CC)CC#CCN1C(=O)CC2(C1=O)c1ccccc1CCc1ccccc21

BDBM50291595

CC(C)N(CC#CCN1C(=O)CC2(C1=O)c1ccccc1-c1ccccc21)C(C)C

BDBM50291593

O=C1CC2(CCc3ccccc23)C(=O)N1CC#CCN1CCCC1

BDBM50291597

CCN(CC)CC#CCN1C(=O)NC2(CCc3ccccc23)C1=O

BDBM50291596

CCN(CC)CC#CCN1C(=O)CC(C1=O)(c1ccccc1)c1ccccc1

BDBM50291599

CCN(CC)CC#CCN1C(=O)CC2(C1=O)c1ccccc1-c1ccccc21

BDBM50291598

CCN(CC)CC#CCN1C(=O)c2ccccc2C1=O

BDBM50291594

CCN(CC)CC#CCN1C(=O)CC(C1=O)c1ccccc1

BDBM50291600

O=C1NC(C(=O)N1CC#CCN1CCCC1)(c1ccccc1)c1ccccc1

BDBM50291601

CC(C)N(CC#CCN1C(=O)CC(C1=O)(c1ccccc1)c1ccccc1)C(C)C

BDBM50291602

CCN(CC)CC#CCN1C(=O)CC2(CCc3ccccc23)C1=O

BDBM50216130

CCOC(=O)C1=C(C)[N+](C)(C)c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

BDBM50071176

COC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccccc45)Cc3c12

BDBM50071170

CCOC(=O)c1c[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

BDBM50071182

CCOC(=O)c1c[nH]c2ccc3OC4N(CCc5cc(OC)c(OC)cc45)Cc3c12

BDBM50071185

COc1cc2CCN3Cc4c(OC3c2cc1OC)ccc1[nH]c(C)cc41

BDBM50071178

COc1ccc2C3Oc4ccc5[nH]c(C)cc5c4CN3CCc2c1

BDBM50071184

COc1ccc2C3Oc4ccc5[nH]c(C)c(C(=O)OC(C)C)c5c4CN3CCc2c1

BDBM50071169

CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccccc45)Cc3c12

BDBM50071177

CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(C)ccc45)Cc3c12

BDBM50071172

CCCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

BDBM50071175

CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cccc(C)c45)Cc3c12

BDBM50071181

CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)c(OC)cc45)Cc3c12

BDBM50071174

CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(Oc6ccccc6)ccc45)Cc3c12

BDBM50071179

COC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OC)ccc45)Cc3c12

BDBM50071186

CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5cc(OCC)ccc45)Cc3c12

BDBM50071180

CCOC(=O)c1c(C)[nH]c2ccc3OC4N(CCc5ccc(OC)cc45)Cc3c12

BDBM50366538

C(Oc1nsnc1[C@H]1CN2CC[C@@H]1C2)C#Cc1ccccc1 |r,TLB:6:7:11.10:13|

BDBM50072224

C(Sc1nsnc1[C@@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1

BDBM50072215

CN1CCC=C(C1)c1nsnc1OCC#Cc1ccccc1 |c:4|

BDBM50072226

C(Oc1nsnc1[C@@H]1CN2CC[C@H]1C2)C#Cc1ccccc1

BDBM50072233

C(Oc1nsnc1C12CN3CC1C2C3)C#Cc1ccccc1

BDBM50072227

C(Oc1nsnc1[C@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1

BDBM50072220

C(Oc1nsnc1[C@@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1

BDBM50072225

C(Sc1nsnc1[C@H]1C[N@]2C[C@@H]1CCC2)C#Cc1ccccc1

BDBM50072214

C(Oc1nsnc1[C@H]1CN2CCC1C2)C#Cc1ccccc1

BDBM50072229

C(Sc1nsnc1[C@@H]1C[N@@]2CC[C@H]1C2)C#Cc1ccccc1

BDBM50079588

CCCCCCOc1nccnc1O[C@@H]1CN2CCC1C2 |THB:13:14:20:18.17|

BDBM50079583

CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 |TLB:13:14:20:18.17|

BDBM50079590

C1CN2CC1[C@@H](C2)Oc1cnccn1 |THB:7:5:3:0.1|

BDBM50079592

CCCCCCSc1nccnc1OC1CN2CCC1C2 |THB:13:14:20:18.17|

BDBM50079585

CCCCCCOc1nccnc1SC1CN2CCC1C2 |THB:13:14:20:18.17|

BDBM50079584

CCCCCCOc1nccnc1OC1CN2CCC1C2 |THB:13:14:20:18.17|

BDBM50079586

CCCCCCSc1cncc(OC2CN3CCC2C3)n1 |THB:12:13:19:17.16|

BDBM50079587

CNC(=O)O[C@@H]1CN2CCC1C2 |THB:4:5:11:9.8|

BDBM50079589

CCCCCCSc1nccnc1SC1CN2CCC1C2 |THB:13:14:20:18.17|

BDBM50079591

CCCCCCSc1nccnc1O[C@H]1CN2CCC1C2 |THB:13:14:20:18.17|

BDBM50079593

CCCCCCOc1nccnc1O[C@H]1CN2CCC1C2 |THB:13:14:20:18.17|

BDBM50079594

CCCCCCSc1nccnc1O[C@@H]1CN2CCC1C2 |THB:13:14:20:18.17|

BDBM50451943

CCOC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:9:12:5.6,THB:3:5:12:10.8.9|

BDBM50451939

CC(C)OC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:15:10:13:6.7,THB:4:6:13:11.9.10|

BDBM50451947

COC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:13:8:11:4.5,THB:2:4:11:9.7.8|

BDBM50451941

CC(C)COC(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:16:11:14:7.8,THB:5:7:14:12.10.11|

BDBM50451940

CN1C2C[C@@H](C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|

BDBM50451944

CN1C2C[C@@H](C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccccc1 |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|

BDBM50451942

CN1C2C[C@@H](C1C[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Oc1ccccc1 |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|

BDBM50451946

Fc1ccc(cc1)C(O[C@H]1CC2C[C@@H](C(C1)N2)C(=O)Oc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:13.12,THB:17:13:16:15.9.10|

BDBM50451945

COS(=O)(=O)[C@H]1CC2C[C@@H](CC1N2C)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:9:12:5.6,THB:2:5:12:10.8.9|

BDBM22418

COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C |@@:20|

BDBM50147594

CN1C2C[C@H](O)C1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:5:4:1:7.9.8,THB:10:8:1:3.4|

BDBM50147593

CN1C2C[C@@H](O)C1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:5:4:1:7.9.8,THB:10:8:1:3.4|

BDBM50147595

CN1C2C[C@@H](C1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(O)=O |TLB:25:4:1:6.8.7,THB:9:7:1:4.3|

BDBM50366923

CCN(C)C1CCCc2ccncc12

BDBM50023697

CC(C)Oc1noc2CC[S+](C)Cc12

BDBM50023700

CCOc1noc2CC[S+](C)Cc12

BDBM50023694

Cn1oc2CCSCc2c1=O

BDBM50023702

C[S+]1CCc2onc(OCC#C)c2C1

BDBM50367706

CCOC(=O)C1=CCC[S+](C)C1 |t:5|

BDBM50367705

COC(=O)C1=CCC[S+](C)C1 |t:4|

BDBM50023703

COc1noc2CC[S+](C)Cc12

BDBM50023696

C[S+]1CCc2on(C)c(=O)c2C1

BDBM50023695

COc1noc2CCN(C)Cc12

BDBM50023698

COc1noc2CCSCc12

BDBM50023699

COc1noc2CC[N+](C)(C)Cc12

BDBM50367741

O=C(O[C@@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:3.2,TLB:2:3:7.6:9.10,(5.68,-6.55,;5.7,-5.33,;7.04,-4.57,;8.59,-4.57,;8.54,-5.86,;9.9,-4.81,;8.96,-3.17,;10.01,-2.65,;9.93,-3.78,;11.26,-4.56,;11.3,-5.75,;4.37,-4.56,;3.61,-5.89,;4.37,-7.23,;3.62,-8.56,;2.07,-8.57,;1.3,-7.23,;2.07,-5.91,;1.27,-4.57,;2.05,-3.22,;1.27,-1.9,;2.02,-.55,;3.57,-.55,;4.35,-1.88,;3.6,-3.22,)|

BDBM50015719

OCC(C(=O)OC1CC2C3OC3C(C1)N2C=N)c1ccccc1 |TLB:10:11:14:7.13.6,10:9:14:7.13.6|

BDBM50015722

CC(=N)N1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1

BDBM50015724

CC(=N)N1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |THB:10:11:3:5.7.6,10:9:3:5.7.6|

BDBM50015725

CCCC[N+]1(C)C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |TLB:12:13:4:7.9.8,12:11:4:7.9.8,5:4:13.11:7.9.8,THB:14:8:13.11:4,3:4:13.11:7.9.8,(8.31,-5.85,;8.31,-7.34,;7.18,-8.25,;7.18,-9.56,;8.17,-10.66,;9.46,-9.56,;9.43,-11.94,;11.61,-11.94,;12.31,-13.99,;11.05,-12.72,;8.82,-12.72,;7.67,-13.21,;6.67,-12.41,;7.65,-12.83,;12.31,-15.16,;13.71,-15.9,;13.69,-17.41,;15.08,-15.2,;16.37,-15.99,;16.37,-17.51,;15.08,-13.69,;16.49,-13,;16.49,-11.4,;15.29,-10.61,;13.87,-11.26,;13.87,-12.86,)|

BDBM50015727

C[N+]1(C)C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |THB:9:8:1:4.6.5,9:10:1:4.6.5|

BDBM50015723

NC(=N)N1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1

BDBM50015721

OCC(C(=O)OC1CC2CCC(C1)N2C=N)c1ccccc1

BDBM50015728

C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1

BDBM50015726

NC(=N)N1C2CC(CC1C1OC21)OC(=O)C(CO)c1ccccc1 |THB:10:11:3:5.7.6,10:9:3:5.7.6|

BDBM73402

CCN(CC)CCOC(=O)C1(CCCC1)c1ccccc1

BDBM50010095

CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)N1CCCC1

BDBM50010097

CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)[N+]([O-])=O

BDBM50010098

CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)-n1cnnn1

BDBM50010100

CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(N)cc1

BDBM50010099

CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(I)cc1

BDBM50010102

CCN(CC)CCOC(=O)C1(CCCC1)c1ccc(cc1)C#N

BDBM50368148

CN1CC2CC1CC(C2)OC(C)=O |THB:9:7:1.2:4,0:1:4:6.7.8|

BDBM50453023

[H][C@]12CN([C@H](C)c3ccccc3)[C@]([H])(C1)C[C@@H](C2)OC(C)=O |r,TLB:4:3:14:15.16.17,18:16:3.2:14|

BDBM50453022

CC(N1CC2CC1C[C@H](C2)OC(C)=O)c1ccccc1 |TLB:1:2:5:7.8.9,10:8:2.3:5|

BDBM50368150

CN1CC2CC1CC(C2)OC(=O)C(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|

BDBM50011851

CN1CC2CC1CC(C2)OC(=O)C(C)(c1ccccc1)c1ccccc1 |TLB:9:7:1.2:4,THB:0:1:4:6.7.8|

BDBM50368151

CC(C(=O)OC1CC2CC(C1)N(Cc1ccccc1)C2)(c1ccccc1)c1ccccc1 |TLB:4:5:11.19:8,THB:12:11:8:10.5.6|

BDBM50368149

CC(N1C[C@H]2C[C@@H]1C[C@@H](C2)OC(C)=O)c1ccccc1 |r,TLB:1:2:5:7.8.9,10:8:2.3:5|

BDBM50368152

CN1CC2CC1CC(C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |THB:9:7:1.2:4,0:1:4:6.7.8|

BDBM50005509

CN(C)Cc1ccc(CSCCCCCCSCc2ccc(CN(C)C)o2)o1

BDBM50005500

CN(C)Cc1ccc(CSCCNc2cc(NCCSCc3ccc(CN(C)C)o3)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1

BDBM50005503

CN(C)Cc1ccc(CSCCSCc2ccc(CN(C)C)o2)o1

BDBM50005502

CN(C)Cc1ccc(CSCc2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1

BDBM50005495

CN(C)Cc1ccc(CSCCCCCSCc2ccc(CN(C)C)o2)o1

BDBM50005498

CN(C)Cc1ccc(CSCc2ccc(cc2)-c2ccc(CSCc3ccc(CN(C)C)o3)cc2)o1

BDBM50005504

CN(C)Cc1ccc(CSCCNCC(=NCCSCc2ccc(CN(C)C)o2)[N+]([O-])=O)o1 |w:15.15|

BDBM50005497

CN(C)Cc1ccc(CSCCCCSCc2ccc(CN(C)C)o2)o1

BDBM50005496

CN(C)Cc1ccc(CSCCCCCCCSCc2ccc(CN(C)C)o2)o1

BDBM50005492

CN(C)Cc1ccc(CSCCCCCCCCCSCc2ccc(CN(C)C)o2)o1

BDBM50005501

CN(C)Cc1ccc(CSCCCSCc2ccc(CN(C)C)o2)o1

BDBM50005493

[#6]-[#7](-[#6])-[#6]-c1ccc(-[#6]-[#16]-[#6]-[#6]-[#7]\[#6](-[#7]-[#6]-[#6]-[#16]-[#6]-c2ccc(-[#6]-[#7](-[#6])-[#6])o2)=[#7]/C#N)o1

BDBM50005494

CN(C)Cc1ccc(CSCCCCCCCCSCc2ccc(CN(C)C)o2)o1

BDBM50044688

COC(=O)CCCN1C(=O)OC2(CCN(C)CC2)C1=O

BDBM50044689

CN1CCC2(CC1)OC(=O)N(CC(N)=O)C2=O

BDBM50044692

CN1CCC2(CC1)OC(=S)N(C2=O)C(C)(C)C

BDBM50044690

CN1CCC2(CC1)OC(S)=NC2=O |c:10|

BDBM50044691

CN1CCC2(CC1)OC(=O)N(CCN1CCOCC1)C2=O

BDBM50044693

CCN1C(=O)OC2(CCN(C)C2)C1=O

BDBM50044694

CN1CCC2(CC1)OC(=O)N(C2=O)c1cccc(Cl)c1

BDBM50044695

CN1CCC2(CC1)OC(=O)N(CC=C)C2=O

BDBM50044697

CCN1C(=O)OC2(CCN(CC#CCOC(=O)Nc3cccc(Cl)c3)CC2)C1=O

BDBM50044698

CCN1C(=O)OC2(CCN(CCCC(=O)OC)CC2)C1=O

BDBM50044700

COC(=O)CN1C(=O)OC2(CCN(C)CC2)C1=O

BDBM50044699

CCN1C(=O)OC2(CCN(Cc3ccccc3)CC2)C1=O

BDBM50044701

CN1CCC2(CC1)OC(=S)N(C2=O)c1ccccc1

BDBM50044702

CCN1C(=S)OC2(CCN(C)CC2)C1=O

BDBM50044703

CN1CCC2(CC1)OC(O)=NC2=O |c:10|

BDBM50044704

CN1CCC2(CC1)OC(=O)N(C2=O)C(C)(C)C

BDBM50044706

CCN1C(=O)OC2(CCCN(C)C2)C1=O

BDBM50044696

CCN1C(=O)OC2(CCN(C)CC2)C1=O

BDBM50044707

CN1C(=O)OC2(CCN(C)CC2)C1=O

BDBM50044708

CCN1C(=O)OC2(CCNCC2)C1=O

BDBM50042462

C[C@@H]1CN(CC#CCN(C)C)C(=O)C1

BDBM50042465

C[C@@H]1CN(CC#CC[N+](C)(C)C)C(=O)C1

BDBM50042468

C[C@H]1CCN(CC#CCN(C)C)C1=O

BDBM50042466

CC1CCN(CC#CCN(C)C)C1=O

BDBM50042469

C[C@@H]1CCN(CC#CCN(C)C)C1=O

BDBM50042467

C[C@H]1CCN(CC#CCN2CCCC2)C1=O

BDBM50042472

C[C@H]1CN(CC#CCN2CCCC2)C(=O)C1

BDBM50042464

C[C@@H]1CCN(CC#CCN2CCCC2)C1=O

BDBM50004734

CC(C#CCN1CCCC1)N(C)C(C)=O

BDBM50004737

CC1CCN(CC#CCN2CCCC2)C1=O

BDBM50042471

C[C@H]1CN(CC#CCN(C)C)C(=O)C1

BDBM50042470

O=C1CCCN1CC#CCN1CCCCC1

BDBM50042463

C[C@@H]1CN(CC#CCN2CCCC2)C(=O)C1

BDBM50042473

C[C@H]1CN(CC#CC[N+](C)(C)C)C(=O)C1

BDBM50456344

OC(CC=CI)(C(=O)OC1CN2CCC1CC2)c1ccccc1 |(8.21,-10.55,;8.2,-9.01,;9.52,-9.78,;11.01,-9.37,;12.1,-10.45,;12.09,-12,;8.2,-7.46,;6.88,-6.69,;9.55,-6.69,;10.32,-5.34,;10.34,-3.8,;11.68,-3.03,;13,-3.83,;12.99,-5.35,;11.65,-6.11,;11,-5.18,;10.91,-4.29,;6.85,-9.78,;5.53,-8.97,;4.19,-9.75,;4.18,-11.27,;5.53,-12.06,;6.85,-11.3,)|

BDBM50038707

[O-][N+](=O)c1ccc(cc1)C1(CCCC1)C(=O)OCCN1CCC(CC1)c1ccccc1

BDBM50038710

O=C(OCCN1CCN(CC1)c1ccccc1)C1(CCCC1)c1ccccc1

BDBM50035131

[#6]-[#6@@H]1-[#6@@H]-2-[#6]-c3ccc(-[#8])cc3[C@@]1([#6])[#6]-[#6]-[#7]-2-[#6]\[#6]=[#6](/[#6])-[#6] |r,TLB:16:15:10.4.3:1|

BDBM81982

Cc1ccccc1NC(N)=Nc1ccccc1C |w:10.11|

BDBM50038718

O=C(OCCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1

BDBM50038705

O=C(OCCN1CCC(CC1)c1ccccc1)C1(CCCC1)c1ccccc1

BDBM50039188

CCN(CC)CCOCCOC(=O)C1(CCCCC1)c1ccccc1

BDBM50039186

Clc1ccc(cc1Cl)C1(CCCCC1)C(=O)OCOCCN1CCCC1

BDBM50039189

CCN(CC)CCOCOC(=O)C1(CCCCC1)c1ccc(Cl)c(Cl)c1

BDBM50039192

CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccc(OC)cc1

BDBM50039195

CCN(CC)CCOCCOC(=O)C(C)c1ccccc1

BDBM50039196

CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccc(Cl)cc1

BDBM50039184

CCN(CC)CCOCCNCC1(CCCC1)c1ccccc1

BDBM50039187

CCN(CC)CCOCCOC(=O)C1(CC1)c1ccccc1

BDBM50039185

CCN(CC)CCOCCNC(=O)C1(CCCC1)c1ccccc1

BDBM50039199

Clc1ccc(cc1Cl)C1(CCCCC1)C(=O)OCOCCN1CCOCC1

BDBM50039191

CCN(CC)CCOCNC(=O)C1(CCCCC1)c1ccc(Cl)c(Cl)c1

BDBM50039193

CCN(CC)CCOCCN(C)CC1(CCCC1)c1ccccc1

BDBM50039198

Clc1ccc(cc1Cl)C1(CCCCC1)C(=O)NCOCCN1CCOCC1

BDBM50039190

CCN(CC)CCOCCOCC1(CCCC1)c1ccccc1

BDBM50039836

COC(=O)C1CCCC(N)=N1 |c:9|

BDBM50039841

COC(=O)C1CCN=C(N)C1 |t:7|

BDBM50039845

COC(=O)C1CCCN=C1N |c:8|

BDBM50033145

CCCCCCOc1nccnc1C1=CCCCNC1 |t:14|

BDBM50033144

COc1nccnc1C1CN2CCC1CC2 |(8.1,-2.13,;8.1,-3.67,;9.43,-4.44,;10.76,-3.69,;12.09,-4.46,;12.09,-6,;10.76,-6.75,;9.43,-5.98,;8.1,-6.75,;8.1,-8.29,;6.77,-9.05,;7.31,-7.51,;6.03,-7.4,;6.77,-5.97,;5.44,-6.75,;5.44,-8.29,)|

BDBM50033157

Cc1nccnc1C1CN2CCC1CC2 |(5.16,.4,;6.49,-.36,;7.82,.41,;9.17,-.37,;9.15,-1.91,;7.82,-2.67,;6.49,-1.9,;5.16,-2.67,;5.16,-4.21,;3.83,-4.97,;2.5,-4.21,;2.5,-2.67,;3.83,-1.89,;3.06,-3.22,;4.53,-3.62,)|

BDBM50033154

CCCOc1nccnc1C1CN2CCC1CC2 |(6.77,.18,;6.77,-1.36,;8.1,-2.13,;8.1,-3.67,;9.43,-4.44,;10.76,-3.69,;12.09,-4.46,;12.09,-6,;10.76,-6.75,;9.43,-5.98,;8.1,-6.75,;8.1,-8.29,;6.77,-9.05,;7.31,-7.51,;6.03,-7.4,;6.77,-5.97,;5.44,-6.75,;5.44,-8.29,)|

BDBM50369037

CCCCCCOc1nccnc1[C@H]1CN2CCC1CC2 |r,wU:13.13,(4.09,3.27,;5.44,2.49,;5.44,.95,;6.77,.18,;6.77,-1.36,;8.1,-2.13,;8.1,-3.67,;9.43,-4.44,;10.76,-3.69,;12.09,-4.46,;12.09,-6,;10.76,-6.75,;9.43,-5.98,;8.1,-6.75,;8.1,-8.29,;6.77,-9.05,;7.31,-7.51,;6.03,-7.4,;6.77,-5.97,;5.44,-6.75,;5.44,-8.29,)|

BDBM50033163

Clc1cncc(n1)C1CN2CCC1CC2 |(10.48,-2.69,;9.15,-1.91,;9.17,-.37,;7.82,.41,;6.49,-.36,;6.49,-1.9,;7.82,-2.67,;5.16,-2.67,;5.16,-4.21,;3.83,-4.97,;2.5,-4.21,;2.5,-2.67,;3.83,-1.89,;3.06,-3.22,;4.53,-3.62,)|

BDBM50033160

Clc1nccnc1C1CN2CCC1CC2 |(8.76,-3.74,;10.09,-4.51,;11.44,-3.76,;12.77,-4.53,;12.76,-6.07,;11.42,-6.82,;10.1,-6.05,;8.76,-6.82,;8.76,-8.36,;7.43,-9.12,;7.98,-7.58,;6.7,-7.47,;7.43,-6.04,;6.11,-6.82,;6.11,-8.36,)|

BDBM50033147

CCCCOc1nccnc1C1CN2CCC1CC2 |(5.44,.95,;6.77,.18,;6.77,-1.36,;8.1,-2.13,;8.1,-3.67,;9.43,-4.44,;10.76,-3.69,;12.09,-4.46,;12.09,-6,;10.76,-6.75,;9.43,-5.98,;8.1,-6.75,;8.1,-8.29,;6.77,-9.05,;7.31,-7.51,;6.03,-7.4,;6.77,-5.97,;5.44,-6.75,;5.44,-8.29,)|

BDBM50453786

CCCCCCOc1nccnc1[C@@H]1CN2CCC1CC2 |r,wD:13.13,(4.09,3.27,;5.44,2.49,;5.44,.95,;6.77,.18,;6.77,-1.36,;8.1,-2.13,;8.1,-3.67,;9.43,-4.44,;10.76,-3.69,;12.09,-4.46,;12.09,-6,;10.76,-6.75,;9.43,-5.98,;8.1,-6.75,;8.1,-8.29,;6.77,-9.05,;7.31,-7.51,;6.03,-7.4,;6.77,-5.97,;5.44,-6.75,;5.44,-8.29,)|

BDBM50033150

CCCCCCCOc1nccnc1C1CN2CCC1CC2 |(4.11,4.82,;4.09,3.27,;5.44,2.49,;5.44,.95,;6.77,.18,;6.77,-1.36,;8.1,-2.13,;8.1,-3.67,;9.43,-4.44,;10.76,-3.69,;12.09,-4.46,;12.09,-6,;10.76,-6.75,;9.43,-5.98,;8.1,-6.75,;8.1,-8.29,;6.77,-9.05,;7.31,-7.51,;6.03,-7.4,;6.77,-5.97,;5.44,-6.75,;5.44,-8.29,)|

BDBM50033162

CCCCCSc1nccnc1C1CN2CCC1CC2 |(5.44,2.49,;5.44,.95,;6.77,.18,;6.77,-1.36,;8.1,-2.13,;8.1,-3.67,;9.43,-4.44,;10.76,-3.69,;12.09,-4.46,;12.09,-6,;10.76,-6.75,;9.43,-5.98,;8.1,-6.75,;8.1,-8.29,;6.77,-9.05,;7.31,-7.51,;6.03,-7.4,;6.77,-5.97,;5.44,-6.75,;5.44,-8.29,)|

BDBM50033148

CCCCCCOc1nccnc1C1CN2CCC1CC2 |(4.09,3.27,;5.44,2.49,;5.44,.95,;6.77,.18,;6.77,-1.36,;8.1,-2.13,;8.1,-3.67,;9.43,-4.44,;10.76,-3.69,;12.09,-4.46,;12.09,-6,;10.76,-6.75,;9.43,-5.98,;8.1,-6.75,;8.1,-8.29,;6.77,-9.05,;7.31,-7.51,;6.03,-7.4,;6.77,-5.97,;5.44,-6.75,;5.44,-8.29,)|

BDBM50033151

CCCCCCSc1nccnc1C1CN2CCC1CC2 |(4.09,3.27,;5.44,2.49,;5.44,.95,;6.77,.18,;6.77,-1.36,;8.1,-2.13,;8.1,-3.67,;9.43,-4.44,;10.76,-3.69,;12.09,-4.46,;12.09,-6,;10.76,-6.75,;9.43,-5.98,;8.1,-6.75,;8.1,-8.29,;6.77,-9.05,;7.31,-7.51,;6.03,-7.4,;6.77,-5.97,;5.44,-6.75,;5.44,-8.29,)|

BDBM50033155

CCCCSc1nccnc1C1CN2CCC1CC2 |(4.41,-8.01,;5.75,-8.78,;5.74,-10.32,;7.07,-11.09,;7.07,-12.63,;8.4,-13.4,;9.74,-12.65,;11.07,-13.42,;11.07,-14.96,;9.73,-15.71,;8.41,-14.94,;7.07,-15.71,;7.07,-17.25,;5.74,-18.01,;6.28,-16.47,;5,-16.36,;5.74,-14.93,;4.42,-15.71,;4.42,-17.25,)|

BDBM50033159

CCCCCCOc1nccnc1C1=CCCCN(C)C1 |t:14|

BDBM50033149

C1CN2CCC1C(C2)c1cnccn1 |(3.06,-3.22,;4.53,-3.62,;3.83,-4.97,;2.5,-4.21,;2.5,-2.67,;3.83,-1.89,;5.16,-2.67,;5.16,-4.21,;6.49,-1.9,;6.49,-.36,;7.82,.41,;9.17,-.37,;9.15,-1.91,;7.82,-2.67,)|

BDBM50033158

CCCCCOc1nccnc1C1CN2CCC1CC2 |(5.44,2.49,;5.44,.95,;6.77,.18,;6.77,-1.36,;8.1,-2.13,;8.1,-3.67,;9.43,-4.44,;10.76,-3.69,;12.09,-4.46,;12.09,-6,;10.76,-6.75,;9.43,-5.98,;8.1,-6.75,;8.1,-8.29,;6.77,-9.05,;7.31,-7.51,;6.03,-7.4,;6.77,-5.97,;5.44,-6.75,;5.44,-8.29,)|

BDBM50033156

CCCCCCOc1nccnc1[C@@H]1CN2CC1CCC2 |THB:12:13:16:20.18.19|

BDBM50033153

CCCCCCOc1nccnc1[C@H]1CN2CCC1C2 |THB:12:13:19:17.16|

BDBM50033152

CCCCCCOc1nccnc1[C@H]1CN2CC1CCC2 |TLB:12:13:16:20.18.19|

BDBM50033161

CCOc1nccnc1C1CN2CCC1CC2 |(6.77,-1.36,;8.1,-2.13,;8.1,-3.67,;9.43,-4.44,;10.76,-3.69,;12.09,-4.46,;12.09,-6,;10.76,-6.75,;9.43,-5.98,;8.1,-6.75,;8.1,-8.29,;6.77,-9.05,;7.31,-7.51,;6.03,-7.4,;6.77,-5.97,;5.44,-6.75,;5.44,-8.29,)|

BDBM50033146

CCCCCCOc1nccnc1[C@@H]1CN2CCC1C2

BDBM50031098

O[C@@](C\C=C\I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:9.8,1.18,wD:1.0,(7.75,-5.56,;6.42,-6.35,;6.42,-4.81,;7.75,-4.04,;7.75,-2.5,;9.1,-1.73,;5.07,-7.12,;5.07,-8.66,;3.74,-6.33,;2.41,-7.1,;2.41,-8.64,;1.08,-9.41,;.45,-8.43,;.45,-7.29,;1.08,-6.33,;-.25,-7.1,;-.25,-8.64,;7.75,-7.12,;7.73,-8.66,;9.06,-9.43,;10.41,-8.66,;10.41,-7.12,;9.08,-6.35,)|

BDBM50453895

O[C@@](C\C=C/I)(C(=O)O[C@H]1CN2CCC1CC2)c1ccccc1 |wU:9.8,1.18,wD:1.0,(7.75,-5.56,;6.42,-6.35,;6.42,-4.81,;7.75,-4.04,;7.75,-2.5,;6.42,-1.73,;5.07,-7.12,;5.07,-8.66,;3.74,-6.33,;2.41,-7.1,;2.41,-8.64,;1.08,-9.41,;.45,-8.43,;.45,-7.29,;1.08,-6.33,;-.25,-7.1,;-.25,-8.64,;7.75,-7.12,;7.73,-8.66,;9.06,-9.43,;10.41,-8.66,;10.41,-7.12,;9.08,-6.35,)|

BDBM50453897

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(Br)cc1)c1ccc(Br)cc1)N2C |TLB:9:7:25:2.3|

BDBM50453910

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1)N2C |TLB:9:7:26:3.2|

BDBM50453896

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(CC)cc1)N2C |TLB:9:7:25:3.2|

BDBM50453904

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(Cl)c(Cl)c1)N2C |TLB:9:7:25:2.3|

BDBM50453911

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(cc1)[N+]([O-])=O)N2C |TLB:9:7:26:3.2|

BDBM50453907

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(cc1)C#N)N2C |TLB:9:7:25:3.2|

BDBM50453900

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(cc1)C(C)(C)C)N2C |TLB:9:7:27:3.2|

BDBM50453901

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(OC)cc1)c1ccc(OC)cc1)N2C |TLB:9:7:27:2.3|

BDBM86702

CN1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|

BDBM50453902

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:9:7:25:2.3|

BDBM50453903

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(F)cc1)N2C |TLB:9:7:24:3.2|

BDBM50453905

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(Br)cc1)N2C |TLB:9:7:24:3.2|

BDBM50453908

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(C)cc1)N2C |TLB:9:7:24:3.2|

BDBM50453898

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccc(C)cc1)c1ccc(C)cc1)N2C |TLB:9:7:25:2.3|

BDBM50453906

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(cc1)C(F)(F)F)N2C |TLB:9:7:27:3.2|

BDBM50453899

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(O)cc1)N2C |TLB:9:7:24:3.2|

BDBM50453909

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccc(OC)cc1)N2C |TLB:9:7:25:3.2|

BDBM50366775

CN1[C@@H]2CC[C@H]1CC(C2)OC(c3ccccc3)c4ccccc4

BDBM50031296

Cn1c2ncn(CCCN3CCC(CC3)C(c3ccccc3)c3ccccc3)c2c(=O)n(C)c1=O

BDBM50017376

CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1

BDBM50031297

Cn1c2ncn(CCCN3CCN(CC3)C(c3ccc(F)cc3)c3ccc(F)cc3)c2c(=O)n(C)c1=O

BDBM22873

CC(C)(C)c1ccc(cc1)C(=O)CCCN1CCC(CC1)OC(c1ccccc1)c1ccccc1

BDBM50055978

C[N+]1(C)CCC(CC1)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1

BDBM50055976

C[N+]12CCC(CC1)[C@H](C2)OC(=O)[C@@](O)(C1CCCCC1)c1ccccc1 |wU:12.14,wD:12.13,7.10,TLB:9:7:2.3:6.5,(13.94,-4.53,;13.94,-2.99,;14.71,-1.66,;13.24,-1.26,;14.01,.06,;15.34,-.72,;15.34,-2.26,;12.68,-.71,;12.68,-2.25,;11.35,.06,;10.02,-.71,;10.02,-2.26,;8.66,.09,;9.46,1.42,;7.33,.86,;6,.09,;4.67,.86,;4.67,2.4,;6,3.17,;7.33,2.4,;7.89,-1.27,;6.35,-1.27,;5.58,-2.6,;6.35,-3.94,;7.89,-3.95,;8.66,-2.62,)|

BDBM50369230

C[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1ccccc1)c1ccccc1 |wU:7.10,THB:9:7:2.3:6.5,(-1.62,-6.55,;-1.6,-5.01,;-3.17,-5.68,;-3.37,-4.27,;-1.87,-3.61,;-1.8,-1.94,;-1.34,-3.07,;-.49,-4.23,;-.2,-5.66,;.72,-3.27,;.49,-1.75,;-.95,-1.19,;1.69,-.79,;.73,.42,;2.9,.17,;2.67,1.69,;3.87,2.65,;5.3,2.09,;5.53,.57,;4.33,-.39,;2.65,-1.99,;4.17,-1.76,;5.13,-2.97,;4.57,-4.4,;3.05,-4.63,;2.09,-3.43,)|

BDBM50454826

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(c1)C(F)(F)F)N2C |TLB:9:7:27:2.3|

BDBM50454828

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(F)c1)N2C |TLB:9:7:24:2.3|

BDBM50454823

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1Cl)N2C |TLB:9:7:24:2.3|

BDBM50454824

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1cccc(F)c1)c1cccc(F)c1)N2C |TLB:9:7:25:2.3|

BDBM50454825

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1C)N2C |TLB:9:7:24:3.2|

BDBM50454830

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1F)N2C |TLB:9:7:24:2.3|

BDBM50454829

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1cccc(Cl)c1)N2C |TLB:9:7:24:2.3|

BDBM50454827

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(c1ccccc1)c1ccccc1N)N2C |TLB:9:7:24:2.3|

BDBM50057407

C\C(=C/COC(=O)C1CNC=NC1)C#C |c:10|

BDBM50039833

NC1=NCC(CN1)C(=O)OCC#C |t:1|

BDBM50057403

CCCC#Cc1noc(n1)C1CNC=NC1 |c:14|

BDBM50039834

NC1=NCC(CC1)C(=O)OCC#C |t:1|

BDBM50057397

O=C(OCCC#C)C1CNC=NC1 |c:10|

BDBM50046723

Cc1noc(n1)C1CNC=NC1 |c:10|

BDBM50039843

O=C(OCC#C)C1CNC=NC1 |c:9|

BDBM50039844

COC(=O)C1CNC(N)=NC1 |c:8|

BDBM50039839

COC(=O)C1CNC=NC1 |c:7|

BDBM50046728

CN1CCC=C(C1)c1nc(C)no1 |c:4|

BDBM50039848

COC(=O)C1CCC(N)=NC1 |c:8|

BDBM50057400

CC#CCOC(=O)C1CNC=NC1 |c:10|

BDBM50039849

CCOC(=O)C1CNC=NC1 |c:8|

BDBM50057399

CSCc1noc(n1)C1CNC=NC1 |c:12|

BDBM50046730

CCc1noc(n1)C1CNC=NC1 |c:11|

BDBM50064613

COC(=O)C1CC2CCCC1N2 |THB:2:4:11:9.8.7|

BDBM50454935

COC(=O)[C@H]1CC2NC1CC[C@@H]2O |r,TLB:2:4:7:11.9.10,THB:12:11:7:4.5|

BDBM50064614

COC(=O)C1=CCC2CCC1N2C |t:4,THB:2:4:11:9.8|

BDBM50062447

CN1CCN(CC1)c1ccc(nn1)-c1ccccc1

BDBM50062450

CN1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12

BDBM50062449

CN1CCN(CC1)c1nncc2ccccc12

BDBM50062451

CN1CCN(CC1)c1cc(cnn1)-c1ccccc1

BDBM50077548

Fc1ccc(cc1)C#CCOc1nsnc1C12CN3CC1C2C3

BDBM50077551

Clc1cccc(c1)C#CCOc1nsnc1C12CN3CC1C2C3

BDBM50077553

Clc1cc(Cl)cc(c1)C#CCSc1nsnc1C12CN3CC1C2C3

BDBM50077556

Fc1cc(Cl)cc(c1)C#CCOc1nsnc1C12CN3CC1C2C3

BDBM50077559

Fc1cccc(c1)C#CCOc1nsnc1C12CN3CC1C2C3

BDBM50077552

Fc1cc(Cl)cc(c1)C#CCSc1nsnc1C12CN3CC1C2C3

BDBM50077557

Fc1ccc(cc1)C#CCSc1nsnc1C12CN3CC1C2C3

BDBM50077554

Fc1cc(F)cc(c1)C#CCSc1nsnc1C12CN3CC1C2C3

BDBM50077555

Clc1cc(Cl)cc(c1)C#CCOc1nsnc1C12CC3CC1C2C3

BDBM50077550

Fc1cc(F)cc(c1)C#CCOc1nsnc1C12CN3CC1C2C3

BDBM50077561

Clc1ccc(cc1)C#CCSc1nsnc1C12CN3CC1C2C3

BDBM50077547

Fc1cccc(c1)C#CCSc1nsnc1C12CN3CC1C2C3

BDBM50077562

Clc1cccc(c1)C#CCSc1nsnc1C12CN3CC1C2C3

BDBM50077558

C(Sc1nsnc1C12CN3CC1C2C3)C#Cc1ccccc1

BDBM50073453

CCN1CC[C@H]([C@@H](C1)C(=O)OC1CCCCC1)c1ccccc1

BDBM50073451

CCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:7|

BDBM50073461

CCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:18|

BDBM50073469

CCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:11|

BDBM50073467

CCN1CC=C(C(C1)C(=O)OCCc1ccccc1)c1ccccc1 |c:4|

BDBM50073473

CCN1CC=C(C(C1)C(=O)OCCc1ccc(C)cc1)c1ccccc1 |c:4|

BDBM50073457

CCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:15|

BDBM50073476

CCN1CC=C(C(C1)C(=O)OCCC1CCCCC1)c1ccccc1 |c:4|

BDBM50073466

CCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:13|

BDBM50073482

CCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:14|

BDBM50073500

CCN1CC[C@H]([C@H](C1)C(=O)OC1CCCCC1)c1ccccc1

BDBM50073484

CCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:12|

BDBM50073499

CCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:8|

BDBM50073454

CCN1CCC(=C(C1)C(=O)OCC1CCCCC1)c1ccccc1 |c:5|

BDBM50073468

CCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:10|

BDBM50073479

CCN1CC=C(C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:4|

BDBM50073493

CCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:5|

BDBM50073498

CCN1CC=C(C(C1)C(=O)OCC1CCCCC1)c1ccccc1 |c:4|

BDBM50073483

CCN1CC[C@H]([C@H](C1)C(=O)OCCc1ccccc1)c1ccccc1

BDBM50073487

CCCCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:13|

BDBM50073456

CCN1CC=C(C(C1)C(=O)OCC(c1ccccc1)c1ccccc1)c1ccccc1 |c:4|

BDBM50073465

CCCCCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:12|

BDBM50073478

CCN1CCC(=C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:5|

BDBM50073450

CCN1CC=C(C(C1)C(=O)OC)c1ccccc1 |c:4|

BDBM50073472

CCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:6|

BDBM50073452

CCN1CC=C(C(C1)C(=O)Oc1ccccc1)c1ccccc1 |c:4|

BDBM50073464

CCCCCCOC(=O)C1=C(CCN(CC)C1)c1ccccc1 |t:9|

BDBM50073481

CCN1CCC(=C(C1)C(=O)OCC(C)C)c1ccccc1 |c:5|

BDBM50073495

CCN1CC=C(C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:4|

BDBM50073471

CCCCCc1noc(n1)C1=C(CCN(CC)C1)c1ccccc1 |t:11|

BDBM50073475

CCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:11|

BDBM50073477

CCN1CCC(=C(C1)C(=O)OCCC1CCCCC1)c1ccccc1 |c:5|

BDBM50073489

CCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:5|

BDBM50073503

CCN1CCC(=C(C1)C(=O)OC1CCCCC1)c1ccccc1 |c:5|

BDBM50073490

CCN1CCC(=C(C1)C(=O)OCc1ccccc1)c1ccccc1 |c:5|

BDBM50073474

CCN1CCC(=C(C1)C(=O)Oc1ccccc1)c1ccccc1 |c:5|

BDBM50073497

CCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:16|

BDBM50073463

CCN1CCC(=C(C1)C(=O)OCC(c1ccccc1)c1ccccc1)c1ccccc1 |c:5|

BDBM50073460

CCN1CCC(=C(C1)C(=O)OCCCCCc1ccccc1)c1ccccc1 |c:5|

BDBM50073459

CCN1CC=C(C(C1)C(=O)OCCCC1CCCCC1)c1ccccc1 |c:4|

BDBM50073455

CCCCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:19|

BDBM50073501

CCN1CCC(=C(C1)C(=O)OCCc1ccc(C)cc1)c1ccccc1 |c:5|

BDBM50073480

CCN1CC=C(C(C1)C(=O)OCCCCCc1ccccc1)c1ccccc1 |c:4|

BDBM50073458

CCN1CCC(=C(C1)C(=O)OC)c1ccccc1 |c:5|

BDBM50073486

CCN1CC=C(C(C1)C(=O)OCCCc1ccccc1)c1ccccc1 |c:4|

BDBM50073470

CCCCCCOC(=O)[C@H]1CN(CC)CC[C@H]1c1ccccc1

BDBM50073492

CCN1CCC(=C(C1)C(=O)OCCc1ccccc1)c1ccccc1 |c:5|

BDBM50073488

CCN1CC=C(C(C1)C(=O)OCc1ccccc1)c1ccccc1 |c:4|

BDBM50073485

CCN1CCC(=C(C1)C(=O)OCCCC1CCCCC1)c1ccccc1 |c:5|

BDBM50073449

CCN1CCC(=C(C1)C(=O)OCCCc1ccccc1)c1ccccc1 |c:5|

BDBM50073504

CCN1CC=C(C(C1)C(=O)OCC(C)C)c1ccccc1 |c:4|

BDBM50073462

CCCCCc1noc(n1)C1CN(CC)CC=C1c1ccccc1 |c:17|

BDBM50073496

CCCCCCCCOC(=O)C1CN(CC)CC=C1c1ccccc1 |c:17|

BDBM50073491

CCN1CC=C(C(C1)C(=O)OCCCCc1ccccc1)c1ccccc1 |c:4|

BDBM50175159

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|

BDBM50369792

[H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@@H](CC)c1ccccc1 |r,TLB:9:7:25:3.2|

BDBM50107330

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|

BDBM50369793

[H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](C)c1ccccc1 |r,TLB:9:7:25:3.2|

BDBM50086042

CC(C)[C@@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:14:12:6:8.9|

BDBM50061886

[O-][N+](=O)c1ccc(cc1)-c1ccc(COCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:25:23:17:19.20|

BDBM50086046

CC(C)[C@H](N)CN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:14:12:6:8.9|

BDBM50175155

NCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:2:3:5.6:8.10.9,THB:11:9:5.6:3|

BDBM50369795

[H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@H](CC)c1ccccc1 |r,TLB:9:7:25:3.2|

BDBM50107327

Nc1ccc(CCCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:17:15:9:11.12|

BDBM50086045

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 |TLB:8:9:16:12.13|

BDBM50086050

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC=C)c1ccc(F)cc1 |TLB:8:9:16:12.13|

BDBM50107329

[O-][N+](=O)c1ccc(CCCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:19:17:11:13.14|

BDBM50369794

[H]C12CCC([H])(CC(C1)OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C[C@@H](C)c1ccccc1 |r,TLB:9:7:25:3.2|

BDBM50061876

Fc1ccc(CCCN2C3CCC2CC(C3)OC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 |THB:16:14:8:10.11|

BDBM50086047

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2C\C=C\c1ccccc1)c1ccc(F)cc1 |TLB:8:9:16:12.13|

BDBM50086049

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1cccc2ccccc12)c1ccc(F)cc1 |TLB:8:9:16:12.13|

BDBM50105094

Clc1cc2OCOc2cc1CN1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50105106

Cc1ccc(CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c(Cl)c1

BDBM50105066

Cc1ccc2[nH]c(=O)n(C3CCN(Cc4cc5OCOc5cc4Cl)CC3)c2c1

BDBM50106314

C(CN1C2CCC1CC(CCOC(c1ccccc1)c1ccccc1)C2)Cc1ccccc1 |THB:9:8:2:4.5|

BDBM50106316

Fc1ccc(cc1)C(OCCC1CC2CCC(C1)N2CCCc1ccccc1)c1ccc(F)cc1 |TLB:10:11:18:14.15|

BDBM50106320

CN1C2CCC1CC(C2)=CCOC(c1ccc(F)cc1)c1ccc(F)cc1 |THB:9:7:1:3.4|

BDBM50106321

CN1C2CCC1CC(CC(=O)NC(c1ccccc1)c1ccccc1)C2 |TLB:0:1:7.25.6:3.4,THB:8:7:1:3.4|

BDBM50106315

CN1C2CCC1CC(C2)=CCOC(c1ccccc1)c1ccccc1 |THB:9:7:1:3.4|

BDBM50106322

CN1C2CCC1CC(C2)=CC(=O)NC(c1ccccc1)c1ccccc1 |TLB:0:1:7.8.6:3.4,THB:9:7:1:3.4|

BDBM50106313

CN1C2CCC1CC(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |TLB:0:1:7.27.6:3.4,THB:8:7:1:3.4|

BDBM50106323

CN1C2CCC1CC(CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |TLB:0:1:3.4:26.6.7,THB:8:7:1:3.4|

BDBM50106317

CN1C2CCC1CC(C2)=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:0:1:7.8.6:3.4,THB:9:7:1:3.4|

BDBM50106319

CN1C2CCC1CC(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)C2 |THB:8:7:1:3.4|

BDBM50106318

CN1C2CCC1CC(CCOC(c1ccccc1)c1ccccc1)C2 |THB:8:7:1:3.4|

BDBM50106312

CN1C2CCC1CC(CCNC(c1ccccc1)c1ccccc1)C2 |TLB:0:1:3.4:24.6.7,THB:8:7:1:3.4|

BDBM50096179

Clc1cccc(c1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|

BDBM50096183

Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccc(Cl)cc1 |TLB:8:9:16:12.13|

BDBM50080448

CN1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |THB:9:7:1:3.4|

BDBM50096189

CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|

BDBM50096190

Clc1ccc(cc1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|

BDBM50096188

Clc1cccc(c1)C(OC1CC2CCC(C1)N2)c1ccccc1 |TLB:8:9:16:12.13|

BDBM50096191

Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|

BDBM50096193

Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccc(Cl)cc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|

BDBM50096182

CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|

BDBM50096185

Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:17:16:9.10.15:12.13,8:9:16:12.13|

BDBM50096187

CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|

BDBM50039177

CN1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |THB:9:7:1:3.4|

BDBM50096186

CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|

BDBM50096181

Clc1cccc(c1)C(OC1CC2CCC(C1)N2CC=C)c1ccccc1 |TLB:8:9:16:12.13,17:16:9.10.15:12.13|

BDBM50096180

CCCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1cccc(Cl)c1 |TLB:8:10:16.15.17:12.13,THB:18:16:10:12.13|

BDBM50096192

CCCc1cccc(c1)N1C2CCC1CC(C2)OC(c1ccccc1)c1ccc(Cl)cc1 |TLB:7:9:15.14.16:11.12,THB:17:15:9:11.12|

BDBM50096184

Clc1ccc(cc1)C(OC1CC2CCC(C1)N2Cc1ccccc1)c1ccc(Cl)cc1 |TLB:8:9:16:12.13,17:16:9.15.10:12.13|

BDBM50108592

CCN1CCN(CC1)C1Cn2cccc2Sc2ccc(F)cc12

BDBM50108591

OCCN1CCN(CC1)C1Cn2cccc2Sc2ccc(F)cc12

BDBM50109644

O=C(CCCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCC1CCCN(CC2CCCCC2)C1

BDBM50109650

O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1

BDBM50130341

CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccccc1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|

BDBM50101075

COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)c(Cl)c1)N2C |THB:11:10:19:6.7,2:4:19:6.7|

BDBM50130348

CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:12:11:28:7.8,THB:3:5:28:7.8|

BDBM50059486

COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7|

BDBM50130346

CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCc1ccccc1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|

BDBM50130351

CN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCCc1ccc(N)cc1 |TLB:25:6:1:4.3,THB:9:7:1:4.3|

BDBM50130340

CC(C)OC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:8.9,THB:4:6:29:8.9|

BDBM50148736

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1cccnc1)c1ccc(F)cc1 |THB:8:9:16:12.13|

BDBM50148738

CN(C)CCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:15:13:7:9.10|

BDBM50148740

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|

BDBM50148734

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCCN1CCOCC1)c1ccc(F)cc1 |THB:8:9:16:12.13|

BDBM50148741

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNCc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|

BDBM50148745

Clc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(Cl)cc1 |THB:8:9:16:12.13|

BDBM50148739

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCCOc1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|

BDBM50148744

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCNC(=O)c1ccccc1)c1ccc(F)cc1 |THB:8:9:16:12.13|

BDBM50175151

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|

BDBM50148746

NCCCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:13:11:5:7.8|

BDBM50148735

OCCOCCN1C2CCC1CC(C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:14:12:6:8.9|

BDBM50148742

Fc1ccc(cc1)C(OC1CC2CCC(C1)N2CCOCc1cccs1)c1ccc(F)cc1 |THB:8:9:16:12.13|

BDBM50084717

COC(=O)[C@@H]1C2CCC(C[C@@H]1C(=O)Oc1ccccc1)N2C |THB:2:4:20:6.7|

BDBM50140751

Cc1cc(NCCN2C3CCC2CCC3)nnc1-c1ccccc1O

BDBM50140763

Cc1cc(NCCN2C3CCC2CCC3)nnc1-c1ccccc1

BDBM50142997

CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|

BDBM50142996

CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|

BDBM50143000

CN1C2CCC1[C@@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|

BDBM50142991

CN1C2CCC1[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.24.25:4.3,7:6:1:4.3|

BDBM50143005

CN1C2CCC1C(CCCOC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|

BDBM50142994

CN1C2CCC1C(CCCOC(c1ccccc1)c1ccccc1)C(C2)c1ccccc1 |TLB:7:6:1:4.3|

BDBM50142992

CN1C2CCC1[C@@H](COC(c1ccccc1)c1ccccc1)C(C2)c1ccc(C)cc1 |TLB:0:1:6.22.23:4.3,7:6:1:4.3|

BDBM50142998

CN1C2CCC1[C@H](COC(c1ccccc1)c1ccc(Cl)cc1)C(C2)c1ccc(Cl)cc1 |TLB:0:1:6.23.24:4.3,7:6:1:4.3|

BDBM50151212

F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCCCCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,59|

BDBM50151216

F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCCCCC(=O)NCCCCCC(=O)NCCCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,73|

BDBM50151214

F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,61|

BDBM50151213

C[N+]1=C(CCC(=O)NCCCCCC(=O)NCCCCN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc34)CC2)C=C\C1=C\c1ccc(-c2cccs2)n1[BH-](F)F |c:1,49|

BDBM50151219

CCN1\C(=C\C=C\C2N(CCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)c3ccc(cc3C2(C)C)S([O-])(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O

BDBM50151215

CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)N(C)CCCCCC(=O)NCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(17.71,10.63,;16.39,9.86,;16.39,8.32,;17.71,7.55,;19.06,8.32,;15.07,7.55,;15.07,6.01,;13.74,5.24,;12.39,6.01,;11.07,5.24,;11.07,3.7,;12.39,2.93,;12.39,1.39,;11.03,.65,;9.71,1.43,;9.71,2.96,;8.22,3.37,;6.9,2.6,;8.22,1.84,;6.9,4.15,;11.03,-.91,;9.49,-.91,;12.55,-.91,;10.24,-2.24,;10.23,-3.77,;8.76,-1.83,;7.4,-2.6,;6.08,-1.83,;4.74,-2.57,;3.4,-1.81,;2.06,-2.57,;2.06,-4.12,;.72,-1.81,;-.62,-1.04,;-1.97,-1.79,;-3.29,-1.03,;-4.62,-1.79,;-5.97,-1,;-7.3,-1.79,;-8.65,-2.56,;-9.97,-1.77,;-11.29,-2.53,;-12.69,-1.79,;-13.98,-2.57,;-13.97,-4.1,;-15.29,-4.91,;-15.26,-6.45,;-14.18,-7.52,;-16.61,-7.26,;-17.89,-6.39,;-17.56,-4.87,;-18.68,-3.84,;-20.14,-4.3,;-20.46,-5.83,;-19.34,-6.86,;-19.89,-8.26,;-21.45,-8.25,;-19.12,-9.61,;-17.6,-9.83,;-17.24,-11.34,;-15.78,-11.77,;-14.67,-10.7,;-15,-9.21,;-16.5,-8.76,;-12.62,-4.87,;-11.29,-4.08,;9.75,6.01,;8.43,5.24,;7.07,6.01,;7.07,7.55,;8.43,8.32,;9.75,7.55,;11.07,8.32,;12.39,7.55,;13.74,8.32,;5.58,7.95,;5.58,9.51,;4.25,10.3,;4.26,7.2,;2.76,7.59,)|

BDBM50151218

F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCOCCOCCOCCOCCOCCOCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,73|

BDBM50151211

CNC(=O)CCC1=[N+]2C(C=C1)=Cc1ccc(-c3cccs3)n1[B-]2(F)F |c:9,11,t:6|

BDBM50151217

F[B-]1(F)n2c(ccc2-c2cccs2)C=C2C=CC(CCC(=O)NCCN3CCN(CC(=O)N4c5ccccc5C(=O)Nc5cccnc45)CC3)=[N+]12 |c:17,t:15,55|

BDBM50175567

O=C(O[C@H]1CN2CCC1CC2)N1Cc2ccccc2C1c1ccccc1 |wD:3.2,TLB:2:3:7.6:9.10,(17.05,5.78,;16.28,4.44,;17.05,3.1,;18.6,3.1,;19.37,1.77,;20.91,1.77,;20.93,3.09,;19.37,2.96,;19.36,4.43,;20.9,4.43,;21.68,3.1,;14.74,4.43,;13.83,5.67,;12.37,5.21,;11.04,5.98,;9.69,5.21,;9.69,3.66,;11.04,2.89,;12.37,3.66,;13.83,3.18,;14.15,1.68,;15.63,1.21,;15.95,-.29,;14.81,-1.34,;13.35,-.85,;13.02,.65,)|

BDBM50175566

O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1C1CCCCC1 |wD:3.2,(-1.26,-.59,;-1.28,.95,;.05,1.75,;1.39,1,;1.41,-.55,;2.76,-1.3,;3.43,-.15,;2,.51,;2.7,1.8,;4.06,1.05,;4.08,-.5,;-2.53,1.7,;-2.59,3.25,;-3.95,3.97,;-5.25,3.15,;-6.55,3.86,;-7.82,3.11,;-7.8,1.61,;-6.49,.89,;-5.19,1.61,;-3.83,.88,;-3.79,-.66,;-2.43,-1.39,;-2.38,-2.93,;-3.69,-3.75,;-5.06,-3.02,;-5.1,-1.48,)|

BDBM50175568

O=C(O[C@H]1CN2CCC1CC2)N1CC(c2ccccc2)c2ccccc2C1 |wD:3.2,(7.93,-6.34,;7.95,-4.79,;9.3,-4.04,;10.64,-4.84,;10.61,-6.41,;11.93,-7.19,;13.28,-6.45,;13.31,-4.9,;11.98,-4.09,;11.22,-5.37,;12.63,-6.08,;6.63,-4.01,;6.65,-2.51,;5.36,-1.74,;5.38,-.2,;6.74,.56,;6.77,2.1,;5.44,2.9,;4.08,2.15,;4.06,.6,;4.06,-2.47,;2.78,-1.71,;1.48,-2.44,;1.44,-3.93,;2.73,-4.69,;4.04,-3.97,;5.31,-4.74,)|

BDBM50175574

O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1ccsc1 |wD:3.2,(.51,-2.2,;.49,-.66,;1.8,.13,;3.16,-.61,;3.17,-2.17,;4.51,-2.92,;5.18,-1.77,;3.76,-1.12,;4.46,.18,;5.82,-.58,;5.84,-2.12,;-.76,.07,;-.81,1.61,;-2.16,2.35,;-3.47,1.52,;-4.76,2.23,;-6.03,1.47,;-6.01,-.01,;-4.7,-.73,;-3.41,-.02,;-2.05,-.73,;-2.01,-2.27,;-3.24,-3.22,;-2.7,-4.67,;-1.16,-4.6,;-.74,-3.13,)|

BDBM50175569

O=C(O[C@H]1CN2CCC1CC2)C1CCc2ccccc2N1c1ccccc1 |wD:3.2,(13.54,-1.45,;13.56,.09,;14.91,.84,;16.24,.05,;16.21,-1.51,;17.53,-2.3,;18.24,-1.18,;16.84,-.48,;17.59,.8,;18.91,-.01,;18.89,-1.56,;12.23,.88,;12.25,2.38,;10.97,3.16,;9.67,2.43,;8.4,3.18,;7.09,2.45,;7.06,.98,;8.35,.2,;9.65,.93,;10.93,.16,;10.9,-1.38,;12.23,-2.17,;12.2,-3.71,;10.84,-4.48,;9.52,-3.68,;9.54,-2.13,)|

BDBM50175573

OC1CN(C(c2ccccc2)c2ccccc12)C(=O)O[C@H]1CN2CCC1CC2 |wD:20.22,(-3.78,2.38,;-3.73,.84,;-2.38,.11,;-2.33,-1.43,;-3.63,-2.24,;-3.59,-3.79,;-4.9,-4.6,;-4.85,-6.14,;-3.49,-6.87,;-2.19,-6.05,;-2.23,-4.51,;-4.98,-1.52,;-6.28,-2.22,;-7.57,-1.52,;-7.6,-.03,;-6.34,.74,;-5.03,.02,;-1.09,-2.17,;-1.07,-3.71,;.24,-1.38,;1.59,-2.12,;1.59,-3.67,;2.95,-4.42,;4.27,-3.62,;4.25,-2.08,;2.89,-1.33,;2.19,-2.62,;3.6,-3.27,)|

BDBM50175572

O[C@H]1CN(C(c2ccccc2)c2ccccc12)C(=O)O[C@H]1CN2CCC1CC2 |wU:1.0,wD:20.22,(-4.36,3.2,;-4.32,1.66,;-2.96,.93,;-2.91,-.61,;-4.21,-1.42,;-4.17,-2.97,;-5.48,-3.78,;-5.44,-5.32,;-4.07,-6.05,;-2.77,-5.23,;-2.82,-3.69,;-5.57,-.71,;-6.86,-1.41,;-8.16,-.7,;-8.18,.79,;-6.92,1.56,;-5.61,.83,;-1.67,-1.35,;-1.65,-2.89,;-.34,-.56,;1,-1.31,;1.01,-2.85,;2.36,-3.6,;3.69,-2.81,;3.66,-1.27,;2.31,-.51,;1.61,-1.8,;3.02,-2.46,)|

BDBM50175578

O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1Cc1ccccc1 |wD:3.2,(-1.07,-1.94,;-1.1,-.4,;.22,.4,;1.57,-.35,;1.59,-1.9,;2.92,-2.64,;3.59,-1.5,;2.18,-.85,;2.88,.44,;4.23,-.31,;4.25,-1.85,;-2.35,.34,;-2.39,1.88,;-3.75,2.61,;-5.05,1.79,;-6.34,2.51,;-7.62,1.74,;-7.6,.26,;-6.29,-.45,;-4.99,.25,;-3.64,-.47,;-3.59,-2.01,;-4.91,-2.82,;-4.85,-4.35,;-6.16,-5.16,;-7.53,-4.44,;-7.57,-2.9,;-6.27,-2.08,)|

BDBM50175570

O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1ccccc1 |wD:3.2,(1.1,-.87,;1.08,.67,;2.4,1.47,;3.75,.72,;3.75,-.83,;5.11,-1.58,;5.78,-.43,;4.36,.23,;5.06,1.51,;6.42,.76,;6.44,-.78,;-.18,1.42,;-.23,2.96,;-1.58,3.69,;-2.89,2.87,;-4.19,3.58,;-5.47,2.82,;-5.45,1.33,;-4.13,.61,;-2.83,1.33,;-1.47,.6,;-1.54,-.89,;-.18,-1.62,;-.16,-3.17,;-1.47,-3.98,;-2.83,-3.21,;-2.86,-1.69,)|

BDBM50175575

O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2C1c1cccs1 |wD:3.2,(-1.66,-4.44,;-1.68,-2.9,;-.37,-2.1,;.99,-2.85,;1,-4.4,;2.34,-5.15,;3.01,-4,;1.6,-3.35,;2.3,-2.06,;3.65,-2.81,;3.68,-4.35,;-2.94,-2.16,;-2.98,-.62,;-4.34,.12,;-5.64,-.71,;-6.94,.02,;-8.21,-.76,;-8.19,-2.24,;-6.88,-2.95,;-5.58,-2.25,;-4.23,-2.97,;-4.18,-4.49,;-5.41,-5.45,;-4.87,-6.9,;-3.33,-6.84,;-2.91,-5.36,)|

BDBM50175581

O=C(NC(c1ccccc1)c1ccccc1)OC1CN2CCC1CC2 |(1.67,-1.57,;1.69,-.03,;.37,.76,;-.93,.04,;-2.2,.81,;-2.19,2.29,;-3.45,3.05,;-4.76,2.33,;-4.78,.84,;-3.5,.09,;-.95,-1.5,;-2.31,-2.25,;-2.33,-3.79,;-1,-4.59,;.35,-3.83,;.36,-2.29,;3.05,.72,;4.37,-.08,;4.33,-1.62,;5.66,-2.41,;6.36,-1.29,;4.96,-.59,;5.71,.67,;7.03,-.12,;6.99,-1.67,)|

BDBM50370683

O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1c1ccccc1 |r,wD:20.24,3.2,THB:2:3:7.6:9.10,(-1.33,3.85,;-1.33,2.31,;-2.67,1.54,;-4,2.31,;-4.18,3.72,;-5.76,3.08,;-7.14,3.75,;-6.88,2.32,;-5.51,1.68,;-5.61,0,;-6.05,1.14,;,1.54,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;4,2.31,;2.67,1.54,;1.33,2.31,;1.33,3.85,;2.67,4.62,;2.67,6.16,;1.33,6.93,;,6.16,;,4.62,)|

BDBM50174702

C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1NC(C)=O

BDBM50175149

CN(C(c1ccc(F)cc1)c1ccc(F)cc1)C1CC2CCC(C1)N2C |TLB:1:17:20.21:24,25:24:20.21:23.18.17|

BDBM50175154

Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCC(=O)Nc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|

BDBM50175150

Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCCCc1ccccc1)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|

BDBM50175147

CN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:9:7:3.4:1,0:1:3.4:6.8.7|

BDBM50175148

CN1C2CCC1CC(C2)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |TLB:0:1:3.4:6.8.7,THB:9:7:3.4:1|

BDBM50175156

CN1C2CCC1CC(C2)NC(c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 |TLB:0:1:3.4:6.8.7,THB:9:7:3.4:1|

BDBM50175158

CN1C2CCC1CC(C2)NC(c1ccccc1)c1ccc(Cl)cc1 |TLB:0:1:3.4:6.8.7,THB:9:7:3.4:1|

BDBM50175157

CCCCN1C2CCC1CC(C2)NC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:3:4:6.7:9.11.10,THB:12:10:6.7:4|

BDBM50175146

Fc1ccc(cc1)C(NC1CC2CCC(C1)N2)c1ccc(F)cc1 |TLB:8:9:12.13:16|

BDBM50175152

Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CCc1c[nH]c2ccccc12)c1ccc(F)cc1 |TLB:8:9:12.13:16|

BDBM50175153

Fc1ccc(cc1)C(NC1CC2CCC(C1)N2CC=C)c1ccc(F)cc1 |TLB:8:9:12.13:16,17:16:12.13:15.10.9|

BDBM50196222

COC(=O)\C=C\[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:9.8,THB:5:6:29:9.8|

BDBM50196221

CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:12:11:28:8.7,THB:3:5:28:8.7|

BDBM50196227

COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)N2C |TLB:11:10:27:7.6,THB:2:4:27:7.6|

BDBM50196228

CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(N)cc1)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:23:21:1:3.4|

BDBM50196224

CN1C2CCC1[C@@H](COC(=O)CCCc1ccc(cc1)[N+]([O-])=O)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:25:23:1:3.4|

BDBM50196225

CN1C2CCC1[C@@H](CO)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:11:9:1:3.4|

BDBM50196229

CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2 |TLB:12:11:28:8.7,THB:3:5:28:8.7|

BDBM50196232

COC(=O)CC[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:13:12:29:9.8,THB:5:6:29:9.8|

BDBM50196223

CCOC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2CC=C |TLB:12:11:28:8.7,THB:3:5:28:8.7|

BDBM50196226

CN1C2CCC1[C@@H](C=C)[C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1 |TLB:7:6:1:3.4,THB:11:9:1:3.4|

BDBM50196230

CCCCN1C2CCC1[C@H]([C@H](C2)OC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)OCC |TLB:28:9:4:6.7,THB:12:10:4:6.7|

BDBM50223165

Cc1cc(OCC#CC[N+]2(C)CCCC2)no1

BDBM50223164

C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc2C1 |t:7|

BDBM50223174

O=C1CCON1CC#CC[NH+]1CCCCC1

BDBM50223178

C[N+]1(CC#CCOC2=NOCC2)CCc2ccccc12 |t:7|

BDBM50223173

C[NH+](C)CC#CCOc1cc(C)on1

BDBM50223176

C[N+]1(CC#CCOC2=NOCC2)CCCCC1 |t:7|

BDBM50223166

C(Oc1cc(on1)-c1ccccc1)C#CC[NH+]1CCCC1

BDBM50223179

C[N+]1(CC#CCOc2cc(on2)-c2ccccc2)CCCC1

BDBM50223163

C(OC1=NOCC1)C#CC[NH+]1CCCCC1 |t:2|

BDBM50223170

Cc1cc(OCC#CC[N+](C)(C)C)no1

BDBM50212239

COc1cc(NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc(OC)c1

BDBM50373833

CCN1CCN(CC1)c1ccc(NC(=O)CC(C)(C)C)cc1Cl

BDBM50373834

CCN1CCN(CC1)c1ccc(NC(=O)CCc2ccccc2)cc1Cl

BDBM50373841

CCCCOc1cccc(c1)C(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1

BDBM50373835

CCCCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1

BDBM50373838

CCN1CCN(CC1)c1ccc(NC(=O)COCc2ccccc2)cc1Cl

BDBM50373832

CCN1CCN(CC1)c1ccc(NC(=O)COc2ccccc2)cc1Cl

BDBM50373836

CCN1CCN(CC1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1Cl

BDBM50373839

CCN1CCN(CC1)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1Cl

BDBM50373837

CCN1CCN(CC1)c1ccc(NC(=O)C2CCCCC2)cc1Cl

BDBM50373840

CCCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1

BDBM50374006

CCN(CC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1

BDBM50374005

CCCCN(CCCC)c1ccc(\C=C\c2cc[n+](CCC[N+](CC)(CC)CC)cc2)cc1

BDBM50376982

CC#CCn1c(NC[C@H](C)N)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12

BDBM50376983

CC#CCn1c(nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCNCC1

BDBM50376984

CC#CCn1c(nc2c(C)nn(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1

BDBM50376985

CC#CCn1c(nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCC[C@@H](N)C1

BDBM50376986

CC#CCn1c(NCCN)nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12

BDBM50376987

CC#CCn1c(nc2cnn(Cc3nc(C)c4ccccc4n3)c(=O)c12)N1CCCNCC1

BDBM50376989

CC#CCn1c(nc2cnn(Cc3ccc(C#N)c4ccccc34)c(=O)c12)N1CCCC(N)C1 |w:31.35|

BDBM50376991

CC#CCn1c(nc2cnn(CC3=Nc4ccccc4Oc4ccccc34)c(=O)c12)N1CCC[C@@H](N)C1 |t:12|

BDBM50271706

COc1ccccc1CNCCc1cc(OC)c(I)cc1OC

BDBM50378083

CC(C)[N+]1([C@H]2CC[C@@H]1CC(C2)OC(=O)[C@@H](CO)c3ccccc3)C

BDBM50296329

OC(C(=O)O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(12.26,-17.08,;11.17,-18.17,;12.51,-18.94,;12.51,-20.48,;13.84,-18.17,;15.17,-18.93,;15.17,-20.47,;16.5,-21.23,;16.49,-22.77,;17.82,-23.56,;19.16,-22.8,;20.48,-23.59,;21.82,-22.83,;21.84,-21.29,;20.5,-20.51,;19.17,-21.27,;17.83,-20.47,;17.83,-18.93,;16.5,-18.15,;16.92,-19.4,;15.87,-19.75,;11.17,-16.63,;9.92,-15.73,;10.39,-14.26,;11.93,-14.26,;12.41,-15.72,;9.84,-18.95,;8.42,-18.32,;7.4,-19.47,;8.17,-20.8,;9.68,-20.48,)|

BDBM50296336

O[C@@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.31,wD:10.10,1.0,(16.18,-14.66,;15.09,-15.75,;13.76,-16.53,;12.35,-15.91,;11.32,-17.05,;12.1,-18.39,;13.6,-18.06,;16.43,-16.52,;16.43,-18.06,;17.76,-15.75,;19.09,-16.51,;19.09,-18.05,;20.42,-18.81,;20.41,-20.35,;21.74,-21.14,;23.08,-20.38,;24.4,-21.16,;25.74,-20.41,;27.07,-21.19,;28.41,-20.43,;28.42,-18.89,;27.09,-18.11,;25.75,-18.87,;21.75,-18.05,;21.75,-16.51,;20.42,-15.73,;20.84,-16.98,;19.79,-17.33,;15.09,-14.21,;13.83,-13.31,;14.3,-11.85,;15.84,-11.84,;16.32,-13.31,)|

BDBM50296331

OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.87,-33.87,;-5.96,-34.96,;-4.62,-35.72,;-4.61,-37.26,;-3.29,-34.95,;-1.95,-35.72,;-1.95,-37.26,;-.62,-38.02,;-.64,-39.56,;.69,-40.34,;2.03,-39.58,;3.36,-40.37,;4.7,-39.61,;6.02,-40.39,;7.36,-39.64,;7.37,-38.1,;6.04,-37.31,;4.7,-38.07,;.71,-37.26,;.71,-35.72,;-.62,-34.94,;-.2,-36.18,;-1.25,-36.53,;-5.96,-33.42,;-7.21,-32.51,;-6.74,-31.04,;-5.2,-31.04,;-4.72,-32.5,;-7.29,-35.73,;-8.7,-35.11,;-9.73,-36.25,;-8.96,-37.59,;-7.45,-37.26,)|

BDBM50296326

C[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1cccs1)c1cccs1 |r|

BDBM50296327

CCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C(O)(c1cccs1)c1cccs1 |r|

BDBM50296328

OC(C(=O)O[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-4.31,-16.65,;-5.4,-17.75,;-4.06,-18.51,;-4.05,-20.05,;-2.73,-17.74,;-1.39,-18.5,;-1.39,-20.04,;-.06,-20.81,;-.08,-22.35,;1.25,-23.13,;1.22,-24.67,;2.55,-25.45,;3.89,-24.69,;3.9,-23.14,;2.58,-22.37,;1.27,-20.04,;1.27,-18.5,;-.06,-17.73,;.36,-18.97,;-.69,-19.32,;-5.4,-16.21,;-6.65,-15.3,;-6.18,-13.83,;-4.64,-13.83,;-4.16,-15.29,;-6.73,-18.52,;-8.14,-17.89,;-9.17,-19.04,;-8.4,-20.37,;-6.89,-20.05,)|

BDBM50296330

OC(C(=O)O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(30.44,-17.2,;29.36,-18.29,;30.69,-19.06,;30.7,-20.6,;32.02,-18.28,;33.36,-19.05,;33.36,-20.59,;34.69,-21.35,;34.67,-22.89,;36,-23.67,;37.34,-22.92,;38.67,-23.7,;40.01,-22.94,;41.33,-23.73,;42.67,-22.97,;42.69,-21.43,;41.35,-20.65,;40.02,-21.41,;36.02,-20.59,;36.02,-19.05,;34.69,-18.27,;35.11,-19.51,;34.06,-19.86,;29.35,-16.75,;28.1,-15.84,;28.57,-14.38,;30.11,-14.37,;30.59,-15.84,;28.02,-19.06,;26.61,-18.44,;25.58,-19.59,;26.36,-20.92,;27.86,-20.59,)|

BDBM50296332

O=C(O[C@H]1C[N+]2(CCc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wD:3.2,(-5.14,-2.55,;-5.14,-1.01,;-3.81,-.24,;-2.47,-1,;-2.47,-2.54,;-1.14,-3.31,;-1.16,-4.85,;.17,-5.63,;1.51,-4.87,;2.83,-5.66,;4.17,-4.9,;4.19,-3.36,;2.85,-2.58,;1.52,-3.34,;.18,-2.54,;.18,-1,;-1.14,-.23,;-.72,-1.47,;-1.77,-1.82,;-6.48,-.25,;-7.81,-1.02,;-7.81,-2.55,;-9.14,-3.32,;-10.48,-2.55,;-10.47,-1.01,;-9.14,-.24,;-9.15,1.3,;-7.81,2.07,;-7.82,3.59,;-6.5,4.36,;-5.17,3.6,;-5.16,2.07,;-6.49,1.3,)|

BDBM50296333

OC1(C(=O)O[C@H]2C[N+]3(CCc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc12 |r,wD:5.4,(13.02,-.29,;11.69,-1.07,;13.03,-1.84,;13.03,-3.38,;14.36,-1.06,;15.7,-1.83,;15.7,-3.37,;17.03,-4.13,;17.01,-5.67,;18.34,-6.45,;19.68,-5.7,;21,-6.48,;22.34,-5.73,;22.36,-4.18,;21.02,-3.4,;19.69,-4.16,;18.36,-3.37,;18.36,-1.83,;17.03,-1.05,;17.45,-2.29,;16.4,-2.64,;10.36,-1.84,;10.36,-3.37,;9.03,-4.14,;7.69,-3.37,;7.7,-1.83,;9.03,-1.07,;9.02,.47,;10.36,1.24,;10.35,2.77,;11.67,3.54,;13,2.77,;13.01,1.24,;11.68,.48,)|

BDBM50296334

OC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc12 |r,wD:5.4,(30.74,-.3,;29.42,-1.08,;30.75,-1.84,;30.76,-3.39,;32.08,-1.07,;33.42,-1.84,;33.42,-3.38,;34.75,-4.14,;34.74,-5.68,;36.06,-6.46,;37.41,-5.71,;38.73,-6.49,;40.07,-5.73,;41.4,-6.52,;42.74,-5.76,;42.75,-4.22,;41.42,-3.44,;40.08,-4.2,;36.08,-3.38,;36.08,-1.84,;34.75,-1.06,;35.17,-2.3,;34.12,-2.65,;28.08,-1.85,;28.08,-3.38,;26.75,-4.15,;25.41,-3.38,;25.42,-1.84,;26.75,-1.07,;26.74,.47,;28.08,1.23,;28.07,2.76,;29.39,3.53,;30.73,2.77,;30.73,1.24,;29.41,.47,)|

BDBM50296335

OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(-4.1,-13.42,;-5.19,-14.51,;-3.85,-15.28,;-3.84,-16.82,;-2.52,-14.5,;-1.18,-15.27,;-1.18,-16.81,;.15,-17.57,;.13,-19.11,;1.46,-19.89,;2.8,-19.14,;4.13,-19.92,;5.47,-19.16,;6.79,-19.95,;8.13,-19.19,;8.14,-17.65,;6.81,-16.87,;5.47,-17.63,;1.48,-16.81,;1.48,-15.27,;.15,-14.49,;.57,-15.73,;-.48,-16.08,;-5.19,-12.97,;-3.86,-12.2,;-3.86,-10.66,;-5.2,-9.89,;-6.54,-10.68,;-6.53,-12.21,;-6.52,-15.28,;-7.85,-14.51,;-9.18,-15.28,;-9.18,-16.83,;-7.83,-17.59,;-6.51,-16.81,)|

BDBM50296337

O[C@](C1CCCC1)(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)c1cccs1 |r,wU:1.0,wD:10.10,1.31,(-5.17,-27.18,;-6.25,-28.27,;-7.58,-29.04,;-8.99,-28.42,;-10.02,-29.57,;-9.24,-30.9,;-7.74,-30.58,;-4.92,-29.03,;-4.91,-30.57,;-3.58,-28.26,;-2.25,-29.03,;-2.25,-30.57,;-.92,-31.33,;-.93,-32.87,;.39,-33.65,;1.73,-32.89,;3.06,-33.68,;4.4,-32.92,;5.72,-33.7,;7.06,-32.95,;7.08,-31.41,;5.74,-30.62,;4.41,-31.39,;.41,-30.57,;.41,-29.03,;-.92,-28.25,;-.5,-29.49,;-1.55,-29.84,;-6.26,-26.73,;-7.51,-25.83,;-7.04,-24.36,;-5.5,-24.36,;-5.02,-25.82,)|

BDBM50296338

CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2Oc2ccccc12 |r,wD:5.4,(16.43,-28.66,;15.1,-29.44,;16.44,-30.21,;16.44,-31.75,;17.77,-29.43,;19.11,-30.2,;19.11,-31.74,;20.44,-32.5,;20.43,-34.05,;21.75,-34.83,;23.1,-34.07,;24.42,-34.85,;25.77,-34.1,;27.09,-34.88,;28.43,-34.13,;28.45,-32.58,;27.11,-31.8,;25.77,-32.56,;21.77,-31.74,;21.77,-30.2,;20.44,-29.42,;20.86,-30.67,;19.81,-31.02,;15.1,-27.9,;16.42,-27.13,;16.42,-25.6,;15.09,-24.84,;13.77,-25.61,;13.77,-27.13,;12.44,-27.9,;12.44,-29.44,;11.11,-30.21,;11.1,-31.75,;12.44,-32.52,;13.77,-31.75,;13.78,-30.22,)|

BDBM50296339

CC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc12 |r,wD:5.4,(-3.34,-42.15,;-4.66,-42.93,;-3.33,-43.7,;-3.32,-45.24,;-2,-42.92,;-.66,-43.69,;-.66,-45.23,;.67,-45.99,;.65,-47.53,;1.98,-48.31,;3.32,-47.56,;4.65,-48.34,;5.99,-47.58,;7.31,-48.37,;8.65,-47.61,;8.67,-46.07,;7.33,-45.29,;6,-46.05,;2,-45.23,;2,-43.69,;.67,-42.91,;1.09,-44.15,;.04,-44.5,;-6.07,-43.55,;-6.53,-45.01,;-8.03,-45.34,;-9.07,-44.21,;-8.6,-42.75,;-7.11,-42.42,;-6.34,-41.08,;-6.82,-39.62,;-5.8,-38.48,;-4.29,-38.8,;-3.81,-40.26,;-4.84,-41.4,)|

BDBM50296340

O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:3.2,(18.52,-46.24,;18.51,-44.7,;19.84,-43.93,;21.18,-44.69,;21.18,-46.23,;22.51,-46.99,;22.49,-48.53,;23.82,-49.32,;25.16,-48.56,;26.49,-49.34,;27.83,-48.58,;29.15,-49.37,;30.49,-48.61,;30.51,-47.07,;29.17,-46.29,;27.84,-47.05,;23.84,-46.23,;23.84,-44.69,;22.51,-43.91,;22.93,-45.16,;21.88,-45.51,;17.18,-43.93,;15.84,-44.71,;14.44,-44.09,;13.41,-45.23,;14.18,-46.56,;15.69,-46.24,;17.17,-42.39,;15.92,-41.49,;16.39,-40.03,;17.93,-40.02,;18.41,-41.48,)|

BDBM50296341

OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1ccsc1)c1ccsc1 |r,wD:5.4,(-3.84,-.23,;-5.17,-1.01,;-3.83,-1.77,;-3.83,-3.31,;-2.5,-1,;-1.17,-1.77,;-1.17,-3.31,;.16,-4.07,;.15,-5.61,;1.47,-6.39,;2.82,-5.63,;4.14,-6.42,;5.48,-5.66,;6.81,-6.44,;8.15,-5.69,;8.16,-4.15,;6.82,-3.36,;5.49,-4.12,;1.49,-3.31,;1.49,-1.77,;.16,-.99,;.58,-2.23,;-.47,-2.58,;-6.5,-1.78,;-7.91,-1.16,;-8.94,-2.31,;-8.16,-3.64,;-6.66,-3.31,;-5.17,.53,;-6.43,1.43,;-5.96,2.9,;-4.42,2.9,;-3.94,1.44,)|

BDBM50296342

CC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(17.34,.29,;16.02,-.49,;17.35,-1.26,;17.36,-2.8,;18.68,-.49,;20.02,-1.25,;20.02,-2.79,;21.35,-3.55,;21.33,-5.09,;22.66,-5.88,;24,-5.12,;25.33,-5.9,;26.67,-5.15,;27.99,-5.93,;29.33,-5.17,;29.35,-3.63,;28.01,-2.85,;26.68,-3.61,;22.68,-2.79,;22.68,-1.25,;21.35,-.47,;21.77,-1.72,;20.72,-2.07,;14.69,-1.27,;13.28,-.65,;12.25,-1.79,;13.02,-3.13,;14.53,-2.8,;16.01,1.05,;14.76,1.95,;15.23,3.41,;16.77,3.42,;17.25,1.95,)|

BDBM50296343

O[C@@](C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1ccccc1 |r,wU:1.25,wD:5.4,1.0,(17.33,-13.87,;16.24,-14.96,;17.58,-15.73,;17.58,-17.27,;18.91,-14.95,;20.25,-15.72,;20.25,-17.26,;21.57,-18.02,;21.56,-19.56,;22.89,-20.34,;24.23,-19.59,;25.55,-20.37,;26.89,-19.61,;28.22,-20.4,;29.56,-19.64,;29.57,-18.1,;28.24,-17.32,;26.9,-18.08,;22.9,-17.26,;22.9,-15.72,;21.57,-14.94,;22,-16.19,;20.95,-16.54,;16.24,-13.42,;14.98,-12.52,;15.45,-11.05,;16.99,-11.05,;17.47,-12.51,;14.91,-15.73,;13.57,-14.97,;12.24,-15.74,;12.25,-17.28,;13.59,-18.05,;14.92,-17.27,)|

BDBM50296344

O[C@](C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1ccccc1 |r,wU:1.0,wD:5.4,1.25,(-3.92,-29.37,;-5.01,-30.46,;-3.67,-31.23,;-3.67,-32.77,;-2.34,-30.45,;-1,-31.22,;-1,-32.76,;.33,-33.52,;.31,-35.06,;1.64,-35.84,;2.98,-35.09,;4.3,-35.87,;5.65,-35.11,;6.97,-35.9,;8.31,-35.14,;8.32,-33.6,;6.99,-32.82,;5.65,-33.58,;1.65,-32.76,;1.65,-31.22,;.33,-30.44,;.75,-31.69,;-.3,-32.04,;-5.01,-28.92,;-6.26,-28.02,;-5.79,-26.55,;-4.25,-26.54,;-3.77,-28.01,;-6.34,-31.24,;-7.68,-30.47,;-9.01,-31.24,;-9,-32.78,;-7.66,-33.55,;-6.33,-32.77,)|

BDBM50296314

O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wD:3.2,(-1.78,.66,;-3.13,-.09,;-3.15,-1.63,;-1.81,-2.4,;-1.81,-3.94,;-.48,-4.7,;.85,-3.94,;.85,-2.4,;-.48,-1.62,;-.06,-2.86,;-1.11,-3.21,;-4.45,.7,;-5.79,-.04,;-5.82,-1.58,;-7.17,-2.33,;-8.5,-1.53,;-8.47,.02,;-7.11,.76,;-7.09,2.3,;-5.74,3.04,;-5.72,4.57,;-4.38,5.32,;-3.05,4.53,;-3.07,2.99,;-4.42,2.25,)|

BDBM50296315

O=C(O[C@H]1CN2CCC1CC2)C1c2ccccc2CCc2ccccc12 |r,wD:3.2,(11.07,.93,;9.72,.18,;9.7,-1.36,;11.03,-2.13,;11.03,-3.67,;12.36,-4.43,;13.69,-3.67,;13.69,-2.13,;12.36,-1.35,;12.79,-2.59,;11.73,-2.94,;8.4,.97,;7.1,.12,;7.39,-1.39,;6.23,-2.4,;4.77,-1.89,;4.48,-.38,;5.64,.63,;5.11,2.14,;5.9,3.39,;7.41,3.57,;7.73,5.02,;9.15,5.48,;10.27,4.47,;9.95,3,;8.52,2.55,)|

BDBM50296316

OC1(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2-c2ccccc12 |r,wD:5.4,(23.63,.58,;22.3,-.19,;23.62,-.99,;24.97,-.23,;23.6,-2.53,;24.94,-3.3,;24.94,-4.84,;26.27,-5.6,;27.6,-4.84,;27.6,-3.3,;26.27,-2.52,;26.69,-3.76,;25.64,-4.11,;20.89,-.8,;20.39,-2.25,;18.89,-2.55,;17.87,-1.39,;18.37,.06,;19.87,.36,;20.66,1.68,;20.2,3.15,;21.24,4.28,;22.75,3.94,;23.21,2.47,;22.16,1.34,)|

BDBM50296317

OC(C(=O)O[C@H]1CN2CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-5.41,-13.09,;-6.49,-14.18,;-5.16,-14.95,;-5.15,-16.49,;-3.82,-14.18,;-2.49,-14.94,;-2.49,-16.48,;-1.16,-17.24,;.17,-16.48,;.17,-14.94,;-1.16,-14.16,;-.74,-15.41,;-1.79,-15.76,;-6.5,-12.64,;-7.75,-11.74,;-7.27,-10.27,;-5.73,-10.27,;-5.25,-11.73,;-7.82,-14.96,;-9.24,-14.33,;-10.27,-15.48,;-9.49,-16.81,;-7.99,-16.49,)|

BDBM50296319

O[C@@](C(=O)O[C@H]1CN2CCC1CC2)(c1cccs1)c1ccccc1 |r,wU:1.14,wD:1.0,5.4,(22.11,-13.32,;21.03,-14.42,;22.36,-15.18,;22.37,-16.72,;23.69,-14.41,;25.03,-15.17,;25.03,-16.71,;26.36,-17.48,;27.69,-16.71,;27.69,-15.17,;26.36,-14.4,;26.78,-15.64,;25.73,-15.99,;21.02,-12.88,;22.26,-11.97,;21.78,-10.5,;20.24,-10.51,;19.77,-11.97,;19.69,-15.19,;18.36,-14.42,;17.03,-15.19,;17.03,-16.73,;18.38,-17.5,;19.7,-16.72,)|

BDBM50296320

O[C@](C(=O)O[C@H]1CN2CCC1CC2)(c1cccs1)c1ccccc1 |r,wU:1.0,wD:1.14,5.4,(-4.26,-25.82,;-5.34,-26.92,;-4.01,-27.68,;-4,-29.22,;-2.67,-26.91,;-1.34,-27.67,;-1.34,-29.21,;-.01,-29.98,;1.32,-29.21,;1.32,-27.67,;-.01,-26.9,;.41,-28.14,;-.64,-28.49,;-5.35,-25.38,;-4.11,-24.47,;-4.59,-23,;-6.13,-23.01,;-6.6,-24.47,;-6.67,-27.69,;-8.01,-26.92,;-9.34,-27.69,;-9.33,-29.23,;-7.99,-30,;-6.66,-29.22,)|

BDBM50296321

O[C@@](C1CCCC1)(C(=O)O[C@H]1CN2CCC1CC2)c1cccs1 |r,wU:1.7,wD:1.0,10.10,(9.07,-25.3,;7.98,-26.39,;6.65,-27.17,;5.24,-26.55,;4.22,-27.69,;4.99,-29.03,;6.5,-28.7,;9.32,-27.16,;9.32,-28.7,;10.65,-26.39,;11.99,-27.15,;11.99,-28.69,;13.31,-29.45,;14.64,-28.69,;14.64,-27.15,;13.31,-26.37,;13.74,-27.62,;12.69,-27.97,;7.98,-24.85,;9.21,-23.95,;8.73,-22.48,;7.19,-22.49,;6.72,-23.95,)|

BDBM50296322

O[C@](C1CCCC1)(C(=O)O[C@H]1CN2CCC1CC2)c1cccs1 |r,wU:1.0,wD:1.7,10.10,(22.45,-25.53,;21.36,-26.62,;20.03,-27.39,;18.62,-26.77,;17.59,-27.92,;18.37,-29.25,;19.87,-28.93,;22.7,-27.39,;22.7,-28.93,;24.03,-26.61,;25.36,-27.38,;25.36,-28.92,;26.69,-29.68,;28.02,-28.92,;28.02,-27.38,;26.69,-26.6,;27.11,-27.84,;26.06,-28.19,;21.36,-25.08,;22.59,-24.17,;22.11,-22.71,;20.57,-22.71,;20.1,-24.18,)|

BDBM50296323

CCCCCCC[N+]12CCC(CC1)[C@H](C2)OC(=O)C1(O)c2ccccc2-c2ccccc12 |r|

BDBM50296324

OC1(C(=O)O[C@H]2C[N+]3(CCc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc12 |r,wD:5.4,(16.17,-38.73,;14.84,-39.51,;16.17,-40.3,;17.51,-39.55,;16.14,-41.84,;17.48,-42.61,;17.48,-44.15,;18.81,-44.91,;18.8,-46.46,;20.13,-47.24,;21.47,-46.48,;22.8,-47.27,;24.14,-46.51,;24.15,-44.97,;22.82,-44.18,;21.48,-44.95,;20.14,-44.15,;20.14,-42.61,;18.81,-41.83,;19.24,-43.07,;18.18,-43.42,;13.43,-40.11,;12.94,-41.56,;11.44,-41.86,;10.42,-40.7,;10.91,-39.25,;12.42,-38.95,;13.21,-37.63,;12.75,-36.17,;13.79,-35.04,;15.3,-35.37,;15.75,-36.84,;14.71,-37.97,)|

BDBM50296325

OC1(C(=O)O[C@H]2C[N+]3(CCCOc4ccccc4)CCC2CC3)c2ccccc2-c2ccccc12 |r,wD:5.4,(-3.64,.51,;-4.97,-.27,;-3.64,-1.06,;-2.3,-.31,;-3.67,-2.61,;-2.33,-3.37,;-2.33,-4.92,;-1,-5.68,;-1.01,-7.22,;.32,-8.01,;1.66,-7.25,;2.99,-8.03,;4.33,-7.27,;5.65,-8.06,;7,-7.3,;7.01,-5.76,;5.68,-4.97,;4.34,-5.74,;.33,-4.92,;.33,-3.37,;-1,-2.59,;-.58,-3.84,;-1.63,-4.19,;-6.38,-.88,;-6.87,-2.33,;-8.38,-2.63,;-9.4,-1.47,;-8.9,-.01,;-7.39,.28,;-6.6,1.61,;-7.06,3.07,;-6.02,4.2,;-4.51,3.86,;-4.06,2.39,;-5.1,1.26,)|

BDBM50160160

COc1cc2CCN(C)[C@H]3Cc4cc5OCOc5cc4-c(c1OC)c23

BDBM50314277

CC(c1c(CCN(C)C)sc2ccccc12)c1cc(C)ccn1

BDBM50314278

COc1cccc(n1)C(C)c1c(CCN(C)C)sc2ccccc12

BDBM50314279

CC(c1c(CCN(C)C)sc2ccccc12)c1cccc(F)n1

BDBM50314280

C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1C |r|

BDBM50314281

COc1cccnc1[C@H](C)c1c(CCN(C)C)sc2ccccc12 |r|

BDBM50314282

C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1F |r|

BDBM50314269

C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ncccc1Cl |r|

BDBM50314270

C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ccc(F)cn1 |r|

BDBM50314271

CC(c1c(CCN(C)C)sc2ccccc12)c1ccc(C)nc1

BDBM50314272

COc1ccc(cn1)C(C)c1c(CCN(C)C)sc2ccccc12

BDBM50314273

C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1C |r|

BDBM50314274

COc1ncccc1[C@@H](C)c1c(CCN(C)C)sc2ccccc12 |r|

BDBM50314275

C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1F |r|

BDBM50314276

C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1Cl |r|

BDBM50314261

C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1ccccn1 |r|

BDBM50314262

CNCCc1sc2ccccc2c1[C@@H](C)c1ccccn1 |r|

BDBM50314263

C[C@H](c1c(CCN2CCCC2)sc2ccccc12)c1ccccn1 |r|

BDBM50314264

C[C@H](c1c(CCN2CCC2)sc2ccccc12)c1ccccn1 |r|

BDBM50314265

CC(c1c(CCN(C)C)sc2ccccc12)c1cccnc1

BDBM50314266

C[C@@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1 |r|

BDBM50314267

C[C@H](c1c(CCN(C)C)sc2ccccc12)c1cccnc1 |r|

BDBM50314268

CC(c1c(CCN(C)C)sc2ccccc12)c1ccncc1

BDBM50314283

CC(c1nccs1)c1c(CCN(C)C)sc2ccccc12

BDBM50314284

C[C@@H](c1cscn1)c1c(CCN(C)C)sc2ccccc12 |r|

BDBM50314285

C[C@@H](c1cncs1)c1c(CCN(C)C)sc2ccccc12 |r|

BDBM50314287

C[C@H](c1c(CCN(C)C)sc2ccccc12)n1cccn1 |r|

BDBM50326219

CCCCC1CCN(CCCC(=O)c2ccccc2C)CC1

BDBM50326218

O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1

BDBM50326217

COc1ccc(CC(=O)NC2CCN(CCCN3C(=O)CCc4cc(F)c(F)cc34)CC2)cc1OC

BDBM50326232

COc1cccc(CC(=O)NC2CCN(CCCN3C(=O)COc4ccccc34)CC2)c1

BDBM50326233

Fc1cccc2N(CCCN3CCC(CC3)NC(=O)Cc3ccccc3)C(=O)CCc12

BDBM50326234

Fc1ccc2N(CCCN3CCC(CC3)NC(=O)Cc3ccccc3)C(=O)CCc2c1

BDBM50326235

Fc1ccc2CCC(=O)N(CCCN3CCC(CC3)NC(=O)Cc3ccccc3)c2c1

BDBM50326236

Fc1cccc2CCC(=O)N(CCCN3CCC(CC3)NC(=O)Cc3ccccc3)c12

BDBM50326237

COc1ccc2N(CCCN3CCC(CC3)NC(=O)Cc3ccccc3)C(=O)CCc2c1

BDBM50326238

COc1ccc2CCC(=O)N(CCCN3CCC(CC3)NC(=O)Cc3ccccc3)c2c1

BDBM50326239

O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

BDBM50326240

O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)CSc3ccccc23)CC1

BDBM50326241

O=C(Cc1ccccc1)NC1CCN(CCCn2c3ccccc3oc2=O)CC1

BDBM50326242

CN(C1CCN(CCCN2C(=O)COc3ccccc23)CC1)C(=O)Cc1ccccc1

BDBM50326243

O=C(CCc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1

BDBM50326244

CC(=O)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1

BDBM50326245

CCC(=O)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1

BDBM50326220

CC(C)C(=O)NC1CCN(CCCN2C(=O)COc3ccccc23)CC1

BDBM50326221

O=C(NC1CCN(CCCN2C(=O)COc3ccccc23)CC1)C1CC1

BDBM50326222

O=C(NC1CCN(CCCN2C(=O)COc3ccccc23)CC1)C1CCC1

BDBM50326223

O=C(NC1CCN(CCCN2C(=O)COc3ccccc23)CC1)C1CCCC1

BDBM50326224

CCC(=O)NC1CCN(CCCN2C(=O)CCc3c(F)cccc23)CC1

BDBM50326225

CCC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)ccc23)CC1

BDBM50326226

CCC(=O)NC1CCN(CCCN2C(=O)CCc3ccc(F)cc23)CC1

BDBM50326227

CCC(=O)NC1CCN(CCCN2C(=O)CCc3cccc(F)c23)CC1

BDBM50326228

CCC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc23)CC1

BDBM50326229

CC(=O)NC1CCN(CCCN2C(=O)CCc3cc(F)c(F)cc23)CC1

BDBM50326230

CCC(=O)NC1CCN(CCCN2C(=O)COc3cc(F)c(F)cc23)CC1

BDBM50326231

Fc1cc2CCC(=O)N(CCCN3CCC(CC3)NC(=O)Cc3ccccc3)c2cc1F

BDBM50330441

Nn1c(CCCCN2CCN(CC2)c2ccc3ccccc3n2)nc2CCCCc2c1=O

BDBM50336843

Fc1nc(cs1)C#Cc1cc(F)cc(c1)C#N

BDBM50345692

[#6][N+]1([#6])[#6@@H]-2-[#6]-[#6]-[#6@@H]1-[#6]-[#6](-[#6]-2)\[#6]=[#6](/c1cccs1)-c1cccs1 |r,THB:10:8:1:4.5|

BDBM50345693

C[N+]1(C)[C@@H]2CC[C@@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,THB:9:8:1:4.5|

BDBM50381654

C[N@+]1(CCCCC=C)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wU:1.1,wD:13.14,1.0,TLB:0:1:13.12.30:10.9,THB:2:1:13.12.30:10.9,14:13:1:10.9,(20.22,-1.4,;21.72,-1.81,;22.48,-.47,;21.7,.86,;22.46,2.2,;21.68,3.53,;22.44,4.87,;21.66,6.2,;22.77,-2.64,;22.17,-3.98,;20.99,-4.69,;21.98,-3.34,;23.82,-3.34,;24.8,-4.15,;25.57,-5.48,;27.11,-5.48,;27.5,-3.98,;27.89,-2.48,;27.88,-6.81,;27.11,-8.14,;27.89,-9.47,;29.43,-9.47,;30.19,-8.12,;29.42,-6.8,;28.59,-5.07,;29.68,-6.15,;31.16,-5.75,;31.55,-4.26,;30.45,-3.18,;28.97,-3.59,;24.53,-2.61,)|

BDBM50382118

CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|

BDBM50382119

CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cccc(Cl)c1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|

BDBM50382120

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382121

CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1ccccc1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|

BDBM50382122

CCCCC1CCN(CCCN2C(=O)COc3cc(F)ccc23)CC1

BDBM50382123

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382124

CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1ccccc1C |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|

BDBM50382125

CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cccs1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|

BDBM50382126

CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cc(F)cc(F)c1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|

BDBM50382127

CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)c1cccc(OC)c1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|

BDBM50382128

CCOC(=O)N1C2CCC1CC(C2)N1CC[C@H](C1)NC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382129

CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@H](C1)NC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382130

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1cccc(Cl)c1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382131

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)N1CCCCC1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382132

CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)N1CCCCC1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|

BDBM50382133

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccc(F)c(F)c1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382134

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccc(F)cc1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382135

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1cccs1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382136

CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)C1CCCCC1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|

BDBM50382137

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|

BDBM50382138

CCOC(=O)N1C2CCC1CC(C2)N1CC[C@@H](C1)NC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382139

CCOC(=O)N1C2CCC1CC(C2)N1CC[C@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|

BDBM50382140

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)C1CCCCC1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382141

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1cc(F)cc(F)c1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382142

C=CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:4:6:12.11.13:8.9|

BDBM50382143

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)N1CCOCC1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382144

CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|

BDBM50382145

CCOC(=O)N1C2CCC1CC(C2)N1CC(C1)NC(=O)c1ccccc1 |TLB:3:5:11.10.12:7.8|

BDBM50382146

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccccc1Cl |r,TLB:3:5:11.10.12:7.8|

BDBM50382147

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)N1[C@@H](C)CCC[C@H]1C |r,TLB:3:5:11.10.12:7.8|

BDBM50382148

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1cccc(OC)c1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382149

CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)C1CCCC1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|

BDBM50382150

CC(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382151

CCOC(=O)N1[C@H]2CC[C@@H]1CC(C2)NCCNC(=O)c1ccc(C)c(F)c1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382152

CCOC(=O)N1CC[C@H]2[C@@H](CCCN2CCNC(=O)c2ccccc2)C1 |r|

BDBM50382153

CCOC(=O)N1C[C@H]2[C@@H](C1)C2NCCNC(=O)c1ccccc1C |r|

BDBM50382154

COC(=O)C12CCC(CC1)(CC2)NCCNC(=O)c1ccccc1

BDBM50382155

CCOC(=O)N1C2CCC1CC(C2)N1CCC[C@@H](C1)NC(=O)c1ccccc1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382156

CCOC(=O)N1C2CCC1CC(C2)N1CC[C@@H](C1)NC(=O)c1ccccc1C |r,TLB:3:5:11.10.12:7.8|

BDBM50382157

COC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:2:4:10.9.11:6.7|

BDBM50382158

O=C(OCc1ccccc1)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccccc1 |r,TLB:1:10:16.15.17:12.13|

BDBM50382159

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)N1CCCC1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382160

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)NCCNC(=O)c1ccncc1 |r,TLB:3:5:11.10.12:7.8|

BDBM50382161

CCOC(=O)N1C[C@@H]2CC[C@@H](C1)C2NCCNC(=O)N1CCOCC1 |r,TLB:3:5:12:8.9,THB:13:12:5.6.11:8.9|

BDBM50382162

CCOC(=O)N1CC[C@H]2[C@H](CCCN2CCNC(=O)c2ccccc2)C1 |r|

BDBM50158610

C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(F)cc1

BDBM50383117

C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)C(=O)c1ccc(cc1)[N+]([O-])=O |r|

BDBM50384286

C(N1C2CCC1CC2)C12C3C4C5C3C1C5C24 |(-5.61,-3.69,;-7.14,-3.71,;-8.06,-2.48,;-9.52,-2.97,;-9.5,-4.51,;-8.03,-4.97,;-7.91,-3.48,;-9.07,-3.48,;-4.82,-5,;-4.25,-5.46,;-4.26,-7.4,;-2.32,-7.27,;-2.32,-5.32,;-2.89,-4.88,;-2.89,-6.83,;-4.82,-6.96,)|

BDBM50384295

C(C1CCCCC1)N1C2CCC1CC2

BDBM50385672

CN(C)CC1COCC(O1)(c1ccccc1)c1ccccc1

BDBM50385678

C[N+](C)(C)C[C@@H]1COC[C@@H](O1)C(c1ccccc1)c1ccccc1 |r|

BDBM50385673

C[N+](C)(C)C[C@@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|

BDBM50385679

C[N+](C)(C)C[C@H]1COCC(O1)(c1ccccc1)c1ccccc1 |r|

BDBM50385680

C[N+](C)(C)C[C@@H]1COC[C@@H](O1)c1ccccc1 |r|

BDBM50385681

CC[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|

BDBM50385675

CC[C@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|

BDBM50385683

C[N+](C)(C)C[C@@H]1COC[C@H](O1)C(c1ccccc1)c1ccccc1 |r|

BDBM50385674

C[N+](C)(C)C[C@@H]1COC[C@H](O1)c1ccccc1 |r|

BDBM50387760

O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CC2CN(CC2C1)c1ccncc1

BDBM50387761

O=C(C1CN(C1)S(=O)(=O)c1cccc2nonc12)N1CC2CN(CC2C1)c1ccncc1

BDBM50387762

O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccncc1

BDBM50387763

Cc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12

BDBM50387764

O=C(C1CN(C1)S(=O)(=O)c1ccc2OCCc2c1)N1CCN(CC1)c1ccncc1

BDBM50387765

Clc1cc(ccn1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12

BDBM50387766

Cc1cc(cnc1Cl)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387767

O=C(C1CN(C1)S(=O)(=O)c1cccnc1)N1CCN(CC1)c1ccncc1

BDBM50387768

Clc1ccc(cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387769

Cc1cnccc1N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12

BDBM50387770

Cc1cc(cc(C)n1)N1CCN(CC1)C(=O)C1CN(C1)S(=O)(=O)c1cccc2cnccc12

BDBM50387771

Clc1nccc2c(cccc12)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387772

O=C(C1CN(C1)S(=O)(=O)c1ccc2OCOc2c1)N1CCN(CC1)c1ccncc1

BDBM50387773

Clc1cccc(c1Cl)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387774

Cn1cc(cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387775

Clc1ncccc1S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387776

O=C(C1CN(C1)S(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccncn1

BDBM50387777

Clc1cccc(c1Cl)S(=O)(=O)N1CC(C1)C(=O)N1CC2CN(CC2C1)c1ccncc1

BDBM50387778

Clc1ncccc1S(=O)(=O)N1CC(C1)C(=O)N1CC2CN(CC2C1)c1ccncc1

BDBM50387779

Clc1cc2c(cccc2cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387780

Fc1cccc(c1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387781

O=C(C1CN(C1)S(=O)(=O)c1ccc2ncccc2c1)N1CCN(CC1)c1ccncc1

BDBM50387782

O=C(C1CN(C1)S(=O)(=O)c1cccc2ncccc12)N1CCN(CC1)c1ccncc1

BDBM50387783

O=C(C1CN(C1)S(=O)(=O)c1cccc2OCOc12)N1CC2CN(CC2C1)c1ccncc1

BDBM50387784

O=C(C1CN(C1)S(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ccncc1

BDBM50387785

Cc1cc2c(cccc2cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387786

O=C(C1CN(C1)S(=O)(=O)c1ccc2occc2c1)N1CCN(CC1)c1ccncc1

BDBM50387787

Cc1noc(C)c1S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387788

FC(F)(F)Oc1ccccc1S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387789

Cc1nc(c(s1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1)C(F)(F)F

BDBM50387790

Cc1cc2c(cccc2cn1)S(=O)(=O)N1CC(C1)C(=O)N1CC2CN(CC2C1)c1ccncc1

BDBM50387791

Fc1c(Cl)cccc1S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387792

O=C(C1CN(C1)S(=O)(=O)c1cccc2nsnc12)N1CC2CN(CC2C1)c1ccncc1

BDBM50387793

Fc1cccc(c1)S(=O)(=O)N1CC(C1)C(=O)N1CC2CN(CC2C1)c1ccncc1

BDBM50387794

Clc1cccc(c1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387795

Clc1cc2c(cccc2c(Cl)n1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387796

O=C(C1CCCN(C1)S(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ccncc1

BDBM50387797

O=C(C1CCN(C1)S(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ccncc1

BDBM50387798

Clc1ccc(nc1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387799

O=C(C1CN(C1)S(=O)(=O)c1ccc2cn[nH]c2c1)N1CCN(CC1)c1ccncc1

BDBM50387800

COc1ccc(cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387801

FC(F)(F)c1ccc(cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50387802

O=C(C1CN(C1)S(=O)(=O)c1cccc2ncccc12)N1CC2CN(CC2C1)c1ccncc1

BDBM50387803

O=C(C1CN(C1)S(=O)(=O)c1cccc2nonc12)N1CCN(CC1)c1ccncc1

BDBM50387804

Cc1ccnc(c1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1

BDBM50388667

Fc1ccc2n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c(=O)[nH]c2c1

BDBM50388666

Fc1cccc2N(CCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)C(=O)CCc12

BDBM50388668

O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50388671

O=C1CCc2ccccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50388672

Fc1cccc2n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c(=O)[nH]c12

BDBM50388673

O=C1CCc2ccccc2N1CCCN1CCC(CC1)c1ccc2[nH]ccc2c1

BDBM50388670

Fc1cccc2CCC(=O)N(CCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)c12

BDBM50388674

O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1

BDBM50388677

O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2cnccc2[nH]c1=O

BDBM50388678

O=C1COc2ccccc2N1CCCN1CCC(CC1)n1c2ncccc2[nH]c1=O

BDBM50388680

O=C1CCc2ncccc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50388684

O=C1CCc2cccnc2N1CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50388683

Fc1ccc2[nH]c(=O)n(C3CCN(CCCN4C(=O)COc5ccccc45)CC3)c2c1

BDBM50388937

OC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2)c2c(F)ccc(F)c2c1=O

BDBM50388938

OC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2)c2c(F)cccc2c1=O

BDBM50388939

OC(=O)c1cn(Cc2ccc(cc2)-c2ccccc2)c2cccc(F)c2c1=O

BDBM50388940

Cn1cc(cn1)-c1ccc(Cn2cc(C(O)=O)c(=O)c3c(F)cccc23)c(F)c1

BDBM50391741

Cc1ccc2[nH]c(=O)n(C3CCN(CC3)C3CCOCC3)c2c1

BDBM50391742

O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCOCC1

BDBM50391743

O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CCCCC1

BDBM50394743

CNCCN1CCCc2cc(NC(=N)c3cccs3)ccc12

BDBM50395965

CN1CCN(CC1)C(=O)C(F)(Cc1ccccc1)c1ccccc1

BDBM50395966

CN1CCN(CC1)C(=O)[C@@](F)(Cc1ccccc1)c1ccccc1 |r|

BDBM50395967

CN1CCN(CC1)C(=O)[C@](F)(Cc1ccccc1)c1ccccc1 |r|

BDBM50395968

CN1CCN(CC1)C(=O)C(Cc1cccnc1)c1ccccc1

BDBM50395969

CN1CCN(CC1)C(=O)C(Cc1ccncc1)c1ccccc1

BDBM50395970

CN1CCN(CC1)C(=O)[C@H](Oc1ccccc1)c1ccccc1 |r|

BDBM50395971

O=C(C(Cc1ccccc1)c1ccccc1)N1CC[C@H]2CCCN2CC1 |r|

BDBM50395972

CC(C)N1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395973

CCN1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395974

CN1CCCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395975

CN(C)CCOC(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395976

O=C(C(Cc1ccccc1)c1ccccc1)N1CCN2CCCCC2C1

BDBM50395977

O=C(C(Cc1ccccc1)c1ccccc1)N1CCC(CC1)N1CCCC1

BDBM50395978

CCN1CCN(CC1(C)C)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395979

CCN1CCN(CC1C)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395980

CC1CN(CCN1C)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395981

CC(C)N1CCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395982

CCN1CCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395983

CN1CCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395984

CN1CCN(CC1)C(=O)[C@@H](Oc1ccccc1)c1ccccc1 |r|

BDBM50395985

O=C(C(Cc1ccccc1)c1ccccc1)N1CCCNCC1

BDBM50395986

CC1CCN(C)CCN1C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395987

O=C(C(Cc1ccccc1)c1ccccc1)N1CCN(CC1)c1ccncc1

BDBM50395988

COCCN1CCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395989

CN1C[C@H]2CN(C[C@H]2C1)C(=O)C(Cc1ccccc1)c1ccccc1 |r|

BDBM50395990

CN(C)CCN(C)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395991

CN(C)CCNC(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395992

CN1CCN(CC1c1ccccc1)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395993

CN1CCN(C(C1)c1ccccc1)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395994

C[N+]1(C)CCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395995

O=C(C(Cc1ccccc1)c1ccccc1)N1CCNCC1

BDBM50395996

CC(C)CN1CCN(CC1)C(=O)C(Cc1ccccc1)c1ccccc1

BDBM50395997

CN1CCN(CC1)C(=O)C(C)(Cc1ccccc1)c1ccccc1

BDBM50395998

CN1CCN(CC1)C(=O)C1(CC1c1ccccc1)c1ccccc1

BDBM50395999

CN1CCN(CC1)C(=O)C(=C/c1ccccc1)\c1ccccc1

BDBM50396000

CN1CCN(CC1)C(=O)[C@H](Cc1ccccc1)c1ccccc1 |r|

BDBM50397219

F[B-]1(F)n2c(CC3C=CC(CCC(=O)NCCCCCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc56)CC4)=[N+]13)ccc2-c1cccs1 |c:7,t:49|

BDBM50397220

F[B-]1(F)n2c(CC3C=CC(CCC(=O)NCCN4CCN(CC(=O)N5c6ccccc6C(=O)Nc6cccnc56)CC4)=[N+]13)ccc2-c1cccs1 |c:7,t:45|

BDBM50401037

COc1cc2N3[C@H]4[C@@H]5[C@H](CC3=O)OCC=C3CN6CC[C@]4([C@@H]6C[C@H]53)c2cc1OC |t:15|

BDBM50149891

CC[N+](CC)(CC)CCOc1cccc(c1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC

BDBM50401038

Cc1ccccc1C(=O)CCCN1CCC(CCCCCN)CC1

BDBM54993

CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(3.08,-3.75,;4.41,-2.97,;5.75,-3.74,;5.75,-5.28,;4.42,-6.05,;7.08,-2.96,;7.08,-1.36,;8.47,-.56,;9.85,-1.39,;11.18,-.62,;10.41,.72,;8.87,.72,;8.1,2.05,;8.87,3.38,;10.41,3.38,;11.18,2.05,;12.72,2.05,;12.72,3.59,;14.26,2.05,;12.72,.51,;8.1,4.72,;7.33,6.05,;6.77,3.95,;9.44,5.49,;12.52,-1.39,;13.89,-.56,;15.29,-1.36,;15.29,-2.96,;13.89,-3.75,;12.52,-2.93,;11.18,-3.7,;9.85,-2.93,;8.47,-3.75,;16.62,-3.74,;16.61,-5.28,;17.94,-6.05,;17.96,-2.97,;19.29,-3.75,)|

BDBM50401363

COc1ccc(CN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OC |TLB:8:19:10.11:17,13:15:10.11:17,THB:9:10:19.15:17,18:19:9.12:7,10:9:19.15:7,12:11:19.15:17,16:15:9.12:7,11:12:19.15:7,6:7:9.12:19.15|

BDBM50401376

COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1 |TLB:9:20:11.12:18,14:16:11.12:18,THB:10:11:20.16:18,19:20:10.13:8,11:10:20.16:8,13:12:20.16:18,17:16:10.13:8,12:13:20.16:8,7:8:10.13:20.16|

BDBM50401384

COc1ccccc1CN1C2C3C4C5C3C1(O)C1C5CC4C21 |TLB:10:21:12.13:19,15:17:12.13:19,THB:11:12:21.17:19,20:21:11.14:9,12:11:21.17:9,14:13:21.17:19,18:17:11.14:9,13:14:21.17:9,8:9:11.14:21.17|

BDBM50401873

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCc2n(Cc3ccc(Cl)cc3)cc[n+]2Cc2ccc(Cl)cc2)cc1 |r|

BDBM50401874

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)Cc2n(C)cc[n+]2Cc2ccc(Cl)cc2)cc1 |r|

BDBM50401875

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)Cc2n(C)cc[n+]2C)cc1 |r|

BDBM50401876

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CCc3ccccc3)CC2)cc1 |r|

BDBM50401877

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](CC3CCc4ccccc4C3)(Cc3ccc(Cl)cc3)CC2)cc1 |r|

BDBM50401878

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](CC3CCCCC3)(Cc3ccc(Cl)cc3)CC2)cc1 |r|

BDBM50401879

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](Cc3ccc(Cl)cc3)(CC2)C(C)C)cc1 |r|

BDBM50401880

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(CC3CCCCC3)CC2)cc1 |r|

BDBM50401881

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CC[N+](C)(Cc3ccc4OCOc4c3)CC2)cc1 |r|

BDBM50401882

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(C)(C)C[N+](C)(C)Cc2ccc(Cl)cc2)cc1 |r|

BDBM50401883

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 |r|

BDBM50401884

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCCC[N+](C)(C)Cc2ccc3ccccc3c2)cc1 |r|

BDBM50401885

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(CC[N+](C)(C)C)Cc2ccccc2)cc1 |r|

BDBM50401886

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C(C)C)C(C)C)cc1 |r|

BDBM50401887

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(C)CCCCCC2)cc1 |r|

BDBM50401888

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCCC2)cc1 |r|

BDBM50401889

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(Cc3ccc(Cl)cc3)CCCC2)cc1 |r|

BDBM50401890

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)C23CC4CC(CC(C4)C2)C3)cc1 |r,TLB:28:31:34:38.37.36,THB:32:33:36:40.31.39,32:31:34.33.38:36,39:31:34:38.37.36,39:37:34:40.32.31|

BDBM50401891

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc3ccccc3c2)Cc2ccc3ccccc3c2)cc1 |r|

BDBM50401892

CC[N+](CC)(CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(cc1)C(=O)OC(C)C)Cc1ccc(Cl)cc1 |r|

BDBM50401893

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1 |r|

BDBM50401894

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1 |r|

BDBM50401895

CC[N+]1(CCCC1)C1CCN(CC1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(cc1)C(=O)OC(C)C |r|

BDBM50401896

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC(CC2)[N+]2(Cc3ccc(Cl)cc3)CCCC2)cc1 |r|

BDBM50401897

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H](C2)[N+](C)(C)Cc2ccc(Cl)cc2)cc1 |r|

BDBM50401898

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@H](C2)[N+](C)(C)Cc2ccc(Cl)cc2)cc1 |r|

BDBM50403048

CN1CCC=C(C1)N1C(SCC1=O)c1ccc(C)cc1 |c:4|

BDBM50403484

C[N+]1(C)CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1

BDBM50403485

C[N+]1(C)C2CCC1CC1(C2)OC(=O)C(O1)(c1ccccc1)c1ccccc1 |TLB:14:8:1:4.5,THB:10:8:1:4.5|

BDBM50403996

C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@H]12

BDBM50403998

C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\C=C\[C@@H]3CCC[C@@H](C)N3C)[C@@H]12

BDBM50403997

C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\[C@@H]3CCC[C@@H](C)N3C)[C@H]12

BDBM50404004

C[C@H]1CCC[C@H](\C=C\[C@H]2[C@H]3COC(=O)[C@H]3C[C@H]3CCCC[C@H]23)N1C

BDBM50404003

C[C@H]1CCC[C@H](\C=C\[C@@H]2[C@H]3COC(=O)[C@H]3C[C@H]3CCCC[C@H]23)N1C

BDBM50370569

C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1

BDBM50408540

CN(CCCCCCCCN(C)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C(=O)CCCCCN

BDBM50408539

CN(CCCCCCCCN(C)C(=O)CCCCCN(CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)CC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C(=O)CCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50407222

CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50408527

CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12

BDBM50408533

CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12

BDBM50408530

CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CC(=O)N1c2ccccc2NC(=O)c2ccccc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2ccccc12

BDBM50408525

CN(CCCCCCCCN(C)CCCCCCN(CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CC(=O)N1c2ccccc2NC(=O)c2cccnc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc12

BDBM50408529

CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc12)CCCCCCNCC(=O)N1c2ccccc2NC(=O)c2cccnc12

BDBM50408535

CN(CCCCCCN)CCCCCCCCN(C)CCCCCCNCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12

BDBM50408532

CN(CCCCCCCCN(C)C(=O)CCCCCNCCCCC(=O)N1c2ccccc2C(=O)Nc2cccnc12)C(=O)CCCCCN

BDBM50084959

CN1CCC2(COc3cc4CCN(C(=O)c5ccc(cc5)-c5ccc(cc5C)-c5noc(C)n5)c4cc23)CC1

BDBM50412173

CN1CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|

BDBM50412174

C[N+](C)(C)C[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|

BDBM50412179

CN1CCC[C@@H]1[C@@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|

BDBM50412180

C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|

BDBM50412181

C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|

BDBM50412182

C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|

BDBM50412183

C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|

BDBM50412184

C[N+]1(C)CCC[C@H]1[C@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|

BDBM50412185

C[N+]1(C)CCC[C@@H]1[C@@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|

BDBM50412175

CN1CCC[C@H]1[C@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|

BDBM50412176

CN1CCC[C@H]1[C@H]1CS(=O)[C@](O1)(C1CCCCC1)c1ccccc1 |r|

BDBM50412177

CN1CCC[C@@H]1[C@@H]1CS(=O)[C@@](O1)(C1CCCCC1)c1ccccc1 |r|

BDBM50412178

CN1CCC[C@H]1[C@H]1CS(=O)C(O1)(c1ccccc1)c1ccccc1 |r|

BDBM50412310

CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@H]12 |r|

BDBM50412311

CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)[C@@H]2CCCC[C@@H]12 |r|

BDBM50412312

CN(C)[C@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|

BDBM50412313

CN(C)[C@@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|

BDBM50412314

CN(C)[C@H]1CCCC[C@@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|

BDBM50412315

CN(C)[C@@H]1CCCC[C@H]1N(C)CC(=O)N1c2ccccc2NC(=O)c2ccccc12 |r|

BDBM50412341

CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 |r|

BDBM50412342

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 |r|

BDBM50412343

CCOC(=O)c1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]2CCN(Cc3ccc(O)cc3)C2)cc1 |r|

BDBM50412344

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCN(Cc3ccc(O)cc3)C2)cc1 |r|

BDBM50412340

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3cccc(O)c3)C2)cc1 |r|

BDBM50412416

C1CNC(C1)c1ccco1

BDBM50412418

Cc1ccc(o1)[C@@H]1CCC[N+]1(C)C |r|

BDBM50412419

Cc1ccc(o1)[C@H]1CCC[N+]1(C)C |r|

BDBM50412420

C[N+]1(C)CCC[C@H]1c1ccco1 |r|

BDBM50412421

C[N+]1(C)CCC[C@@H]1c1ccco1 |r|

BDBM50412422

CN1CCC[C@H]1c1ccc(C)o1 |r|

BDBM50412423

CN1CCC[C@@H]1c1ccc(C)o1 |r|

BDBM50412424

CN1CCC[C@H]1c1ccco1 |r|

BDBM50412425

CN1CCC[C@@H]1c1ccco1 |r|

BDBM50412426

Cc1ccc(o1)[C@@H]1CCCN1 |r|

BDBM50412427

Cc1ccc(o1)[C@H]1CCCN1 |r|

BDBM50412428

C1CN[C@@H](C1)c1ccco1 |r|

BDBM50412429

C1CN[C@H](C1)c1ccco1 |r|

BDBM50412734

O=C(NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1)c1ccc2OCOc2c1

BDBM50413115

CCN(CC)C(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|

BDBM50413116

Oc1ccc(C[C@H](NC(=O)Nc2ccc(cc2)C(=O)NCc2ccccc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|

BDBM50413117

Oc1ccc(C[C@H](NC(=O)Nc2ccc(cc2)C(=O)Nc2ccccc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|

BDBM50413119

CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|

BDBM50413120

CCCNC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|

BDBM50413121

CCNC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|

BDBM50413123

CNC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|

BDBM50413122

Oc1ccc(C[C@H](NC(=O)Nc2ccc(cc2)C(=O)OCC2CC2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 |r|

BDBM50413124

CC(C)COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 |r|

BDBM50413125

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 |r|

BDBM50413126

CCCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 |r|

BDBM50413127

COC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1 |r|

BDBM50413128

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413129

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413130

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2Cl)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413131

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2cccc(Cl)c2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413132

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C(=O)c2ccccc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413133

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)-c2ccccc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413134

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C(F)(F)F)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413135

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(cc2)C#N)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413136

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Br)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413137

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413138

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413139

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(C)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413140

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(N)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413141

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413142

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413143

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC3CC3)C2)cc1 |r|

BDBM50413144

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(CC)C2)cc1 |r|

BDBM50413145

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3)C2)cc1 |r|

BDBM50413146

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(c3)C(F)(F)F)C2)cc1 |r|

BDBM50413147

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(Cl)c3)C2)cc1 |r|

BDBM50413148

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc4OCOc4c3)C2)cc1 |r|

BDBM50413149

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3OC)C2)cc1 |r|

BDBM50413150

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(OC)c3)C2)cc1 |r|

BDBM50413151

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(OC)cc3)C2)cc1 |r|

BDBM50413152

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(O)c3)C2)cc1 |r|

BDBM50413103

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(F)cc3)C2)cc1 |r|

BDBM50413104

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(F)cc3)C2)cc1 |r|

BDBM50413105

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CC[N+](C)(Cc3ccc(O)cc3)C2)cc1 |r|

BDBM50413106

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+]3(C2)CCCCCC3)cc1 |r|

BDBM50413107

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC3CC3)(CC3CC3)C2)cc1 |r|

BDBM50413108

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](CC=C)(Cc3cccc(O)c3)C2)cc1 |r|

BDBM50413109

C[N+]1(Cc2ccc(O)cc2)CCC[C@@H](C1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccc(s1)C(=O)OC1CCCCC1 |r|

BDBM50413110

CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)s1 |r|

BDBM50413111

Cc1nc(no1)-c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 |r|

BDBM50413112

Cc1noc(n1)-c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 |r|

BDBM50413113

CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(O)cc3)C2)cc1 |r|

BDBM50413114

Oc1ccc(C[C@H](NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|

BDBM50413118

Oc1ccc(C[C@H](NC(=O)Nc2ccc(cc2)C(=O)NCC2CC2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1 |r|

BDBM50413153

CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(c3)C#N)C2)cc1 |r|

BDBM50412728

C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(CC4CCNCC4)c3)ccc2F)CCN1 |r|

BDBM50415143

CN1CCCC1c1ccc(o1)C(O)(c1ccccc1)c1ccccc1

BDBM50415144

CN1CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1

BDBM50415145

CN1CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|

BDBM50415146

CN1CCC[C@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|

BDBM50415147

CN1CCC[C@@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|

BDBM50415148

CN1CCC[C@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|

BDBM50415149

CN1CCCC1c1ccc(o1)C(c1ccccc1)c1ccccc1

BDBM50415150

CN1CCCC1c1ccc(o1)C(C1CCCCC1)c1ccccc1

BDBM50415151

C[N+]1(C)CCCC1c1ccc(o1)C(O)(c1ccccc1)c1ccccc1

BDBM50415152

C[N+]1(C)CCCC1c1ccc(o1)C(O)(C1CCCCC1)c1ccccc1

BDBM50415153

C[N+]1(C)CCC[C@@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|

BDBM50415154

C[N+]1(C)CCC[C@H]1c1ccc(o1)[C@@](O)(C1CCCCC1)c1ccccc1 |r|

BDBM50415155

C[N+]1(C)CCC[C@@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|

BDBM50415156

C[N+]1(C)CCC[C@H]1c1ccc(o1)[C@](O)(C1CCCCC1)c1ccccc1 |r|

BDBM50415157

C[N+]1(C)CCCC1c1ccc(o1)C(c1ccccc1)c1ccccc1

BDBM50415158

C[N+]1(C)CCCC1c1ccc(o1)C(C1CCCCC1)c1ccccc1

BDBM50415214

CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|

BDBM50415216

CC1(C)CO[C@H](C[N+](C)(C)C)CO1 |r|

BDBM50415212

C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C |r|

BDBM50415213

C[C@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C |r|

BDBM50415215

C[C@H]1OC[C@@H](C[N+](C)(C)C)O[C@@H]1C |r|

BDBM50415217

C[C@H]1CO[C@H](C[N+](C)(C)C)CO1 |r|

BDBM50415218

C[C@@H]1COC[C@@H](C[N+](C)(C)C)O1 |r|

BDBM50415219

C[C@@H]1OC[C@@H](C[N+](C)(C)C)O[C@H]1C |r|

BDBM50415221

C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C |r|

BDBM50415224

C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|

BDBM50415225

C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C |r|

BDBM50415220

CC1(C)COC[C@@H](C[N+](C)(C)C)O1 |r|

BDBM50415223

C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C |r|

BDBM50415222

C[C@@H]1CO[C@H](C[N+](C)(C)C)CO1 |r|

BDBM50416143

Fc1cccc(-c2cccc(Cl)c2)c1-c1noc(n1)C1CCNCC1

BDBM50416144

Fc1cccc(-c2cccc(Cl)c2)c1-c1noc(CC2CCNCC2)n1

BDBM50416141

C[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|

BDBM50416145

C[C@H]1CNCC[C@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|

BDBM50416140

Fc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1=CCNCC1 |t:20|

BDBM50416146

Fc1c(Cl)ccc(-c2cccc(Cl)c2)c1C(=O)NCC1CCNCC1

BDBM50416147

CC[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|

BDBM50416148

F[C@@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|

BDBM50416149

FC1=C(CNC(=O)c2c(F)c(Cl)ccc2-c2cccc(Cl)c2)CCNC1 |c:1|

BDBM50416150

Fc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1(F)CCNCC1

BDBM50416139

C[C@H]1CNCC[C@]1(F)CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 |r|

BDBM50416151

OC(CCC1CCNCC1)c1ccccc1-c1cccc(Cl)c1

BDBM50416152

Clc1cccc(c1)-c1ccccc1\C=C\CC1CCNCC1

BDBM50416153

Clc1cccc(c1)-c1ccccc1OCCC1CCNCC1

BDBM50416154

Clc1cccc(c1)-c1ccccc1COCC1CCNCC1

BDBM50416155

Clc1cccc(c1)-c1ccccc1CNCC1CCNCC1

BDBM50416156

CC(=O)N(CC1CCNCC1)Cc1ccccc1-c1cccc(Cl)c1

BDBM50416157

Clc1cccc(c1)-c1ccccc1CNC(=O)C1CCNCC1

BDBM50416158

CN(Cc1ccccc1-c1cccc(Cl)c1)C(=O)C1CCNCC1

BDBM50416159

Clc1cccc(c1)-c1ccccc1CC(=O)NC1CCNCC1

BDBM50416160

CN(C1CCNCC1)C(=O)Cc1ccccc1-c1cccc(Cl)c1

BDBM50416161

Clc1cccc(c1)-c1ccccc1S(=O)(=O)NCC1CCNCC1

BDBM50416162

CN(CC1CCNCC1)S(=O)(=O)c1ccccc1-c1cccc(Cl)c1

BDBM50416163

CS(=O)(=O)N(CC1CCNCC1)Cc1c(F)cccc1-c1cccc(Cl)c1

BDBM50416164

Clc1cccc(c1)-c1ccccc1S(=O)(=O)CCC1CCNCC1

BDBM50416165

Fc1cccc(-c2cc(Cl)ccc2Cl)c1-c1nc(no1)C1CCNCC1

BDBM50416142

Fc1cccc(-c2cc(Cl)ccc2Cl)c1C(=O)NCC1CCNCC1

BDBM50416166

Clc1csc(n1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416167

Fc1cccc(C(=O)NCC2CCNCC2)c1-c1cccc(Cl)c1

BDBM50416168

Fc1ccc(C(=O)NCC2CCNCC2)c(c1)-c1cccc(Cl)c1

BDBM50416169

Fc1ccc(-c2cccc(Cl)c2)c(c1)C(=O)NCC1CCNCC1

BDBM50416170

Fc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1CCNCC1

BDBM50416171

Clc1cccc(c1)-c1c(Cl)cccc1C(=O)NCC1CCNCC1

BDBM50416172

Clc1cccc(c1)-c1cc(Cl)ccc1C(=O)NCC1CCNCC1

BDBM50416173

Clc1cccc(c1)-c1ccc(Cl)cc1C(=O)NCC1CCNCC1

BDBM50416174

Clc1cccc(c1)-c1cccc(Cl)c1C(=O)NCC1CCNCC1

BDBM50416175

Cc1cccc(C(=O)NCC2CCNCC2)c1-c1cccc(Cl)c1

BDBM50416176

Cc1ccc(C(=O)NCC2CCNCC2)c(c1)-c1cccc(Cl)c1

BDBM50416177

Cc1ccc(-c2cccc(Cl)c2)c(c1)C(=O)NCC1CCNCC1

BDBM50416178

Cc1cccc(-c2cccc(Cl)c2)c1C(=O)NCC1CCNCC1

BDBM50416179

Clc1cccc(c1)-c1cccnc1C(=O)NCC1CCNCC1

BDBM50416180

Clc1cccc(c1)-c1ccncc1C(=O)NCC1CCNCC1

BDBM50416181

Clc1cccc(c1)-c1cnccc1C(=O)NCC1CCNCC1

BDBM50416182

Clc1cccc(c1)-c1ncccc1C(=O)NCC1CCNCC1

BDBM50416183

Clc1cccc(c1)-c1ccsc1C(=O)NCC1CCNCC1

BDBM50416184

Cn1cc(c(n1)C(=O)NCC1CCNCC1)-c1cccc(Cl)c1

BDBM50416185

Clc1cccc(c1)-c1ccccc1C(=O)NCCC1CCNCC1

BDBM50416186

Clc1cccc(c1)-c1ccccc1NC(=O)CC1CCNCC1

BDBM50416187

CN(C(=O)CC1CCNCC1)c1ccccc1-c1cccc(Cl)c1

BDBM50416188

CC(=O)N(C(=O)CC1CCNCC1)c1ccccc1-c1ccc(Cl)cc1

BDBM50416189

Clc1cccc(c1)-c1ccccc1C(=O)OCC1CCNCC1

BDBM50416190

Clc1cccc(c1)-c1ccccc1C(=O)CCC1CCNCC1

BDBM50416191

CC1CNCC=C1CNC(=O)c1c(F)c(Cl)ccc1-c1cccc(Cl)c1 |c:5|

BDBM50416192

Clc1csc(n1)-c1ccccc1C(=O)NCC12CCN(CC1)CC2

BDBM50416193

CC1(C)CC(CNC(=O)c2ccccc2-c2nc(Cl)cs2)CC(C)(C)N1

BDBM50416194

Clc1csc(n1)-c1ccccc1C(=O)NCc1ccncc1

BDBM50416195

Clc1csc(n1)-c1ccccc1C(=O)NCC1CCOCC1

BDBM50416196

Clc1csc(n1)-c1ccccc1C(=O)NCC1CCNC1

BDBM50416197

Clc1csc(n1)-c1ccccc1C(=O)NCC1CCCN1

BDBM50416198

Clc1csc(n1)-c1ccccc1C(=O)NC1CCNC1

BDBM50416199

Clc1csc(n1)-c1ccccc1C(=O)NCC1CCCNC1

BDBM50416200

Clc1csc(n1)-c1ccccc1C(=O)NC1CCNCC1

BDBM50416201

Clc1csc(n1)-c1ccccc1C(=O)NC1CCCNC1

BDBM50416202

Clc1csc(n1)-c1ccccc1C(=O)NCC1CNCCO1

BDBM50416203

Clc1csc(n1)-c1ccccc1C(=O)NC1CCCCNC1

BDBM50416204

Fc1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416205

Fc1ccc(cc1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416206

Clc1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416207

CS(=O)(=O)c1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416208

NC(=O)c1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416209

CN(C)C(=O)c1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416210

COCc1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416211

NS(=O)(=O)c1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416212

O=C(NCc1ccncc1)c1ccccc1-c1nccs1

BDBM50416213

O=C(NCc1ccncc1)c1ccccc1-c1cccs1

BDBM50416214

O=C(NCc1ccncc1)c1ccccc1-c1ccsc1

BDBM50416215

O=C(NCc1ccncc1)c1ccccc1-c1cccnc1

BDBM50416216

O=C(NCc1ccncc1)c1ccccc1-c1ccncc1

BDBM50416217

O=C(NCc1ccncc1)c1ccccc1-c1ccco1

BDBM50416218

O=C(NCc1ccncc1)c1ccccc1-c1cccc2ccccc12

BDBM50416219

O=C(NCc1ccncc1)c1ccccc1-c1ccc2ccccc2c1

BDBM50416220

Clc1ccc(s1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416221

Cc1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416222

Cc1ccc(cc1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416223

COc1ccccc1-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416224

COc1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416225

COc1ccc(cc1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416226

FC(F)(F)c1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416227

FC(F)(F)c1ccc(cc1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416228

CC(=O)c1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416229

CC(=O)Nc1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416230

O=C(NCC1CCNCC1)c1ccccc1-c1cccc(c1)-c1ccccc1

BDBM50416231

OC(=O)c1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416232

O=C(NCC1CCNCC1)c1ccccc1-c1cccc(c1)C#N

BDBM50416233

CN(C)c1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416234

FC(F)(F)Oc1cccc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416235

Fc1c(Cl)cccc1-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416236

Clc1cccc(c1Cl)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416237

Cc1c(Cl)cccc1-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416238

Fc1ccc(cc1Cl)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416239

Clc1ccc(cc1Cl)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416240

Cc1ccc(cc1Cl)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416241

Fc1cc(Cl)cc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416242

Clc1cc(Cl)cc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416243

Cc1cc(Cl)cc(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416244

Fc1ccc(Cl)cc1-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416245

Clc1ccc(Cl)c(c1)-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416246

Cc1ccc(Cl)cc1-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416247

CN1CCC(CNC(=O)c2ccccc2-c2cccc(Cl)c2)CC1

BDBM50416248

CC1CC(CNC(=O)c2ccccc2-c2cccc(Cl)c2)CCN1

BDBM50416249

CC1CNCCC1CNC(=O)c1ccccc1-c1cccc(Cl)c1

BDBM50416250

CC1(CNC(=O)c2ccccc2-c2cccc(Cl)c2)CCNCC1

BDBM50416251

CC(NC(=O)c1ccccc1-c1cccc(Cl)c1)C1CCNCC1

BDBM50416252

CN(CC1CCNCC1)C(=O)c1ccccc1-c1cccc(Cl)c1

BDBM50416253

CC1(C)CNCCC1CNC(=O)c1cc(Cl)ccc1-c1cccc(Cl)c1

BDBM50416254

N[C@H]1CC[C@H](CNC(=O)c2ccccc2-c2cccc(Cl)c2)CC1 |r,wU:4.4,wD:1.0,(22.72,-24.05,;21.39,-24.82,;20.05,-24.05,;18.71,-24.81,;18.72,-26.34,;17.39,-27.12,;16.05,-26.35,;14.72,-27.12,;14.72,-28.66,;13.38,-26.35,;13.38,-24.8,;12.04,-24.04,;10.71,-24.81,;10.71,-26.35,;12.05,-27.12,;12.05,-28.66,;13.38,-29.42,;13.38,-30.96,;12.05,-31.74,;10.71,-30.97,;9.38,-31.74,;10.71,-29.43,;20.05,-27.12,;21.38,-26.36,)|

BDBM50416255

Clc1cccc(c1)-c1ccccc1C(=O)NC[C@@H]1C[C@@H]2CC[C@H](C1)N2 |r,TLB:16:17:24:20.21|

BDBM50416256

Clc1cccc(c1)-c1ccccc1C(=O)NCC12CCN(CC1)C2

BDBM50416257

Clc1cccc(c1)-c1ccccc1C(=O)NCC1CCN2CCCC1C2

BDBM50416258

Clc1cccc(c1)-c1ccccc1C(=O)NCC12CCN(CC1)CC2

BDBM50416259

Clc1ccccc1-c1ccccc1C(=O)NCC1CCNCC1

BDBM50416726

CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;7.32,-11.41,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,;5.99,-9.08,;4.66,-8.31,)|

BDBM50416727

CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.01,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.16,-9.04,;14.95,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.41,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.8,;7.79,-13.57,;7.78,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.34,;14.38,-14.35,;6.46,-12.8,;5.12,-13.57,;5.12,-12.03,;7.54,-11.7,)|

BDBM50416728

CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(=O)(=O)CC |r,wD:3.2,6.6,(19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.02,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.42,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.35,;14.38,-14.35,;6.46,-12.8,;5.68,-11.46,;7.22,-11.46,;5.12,-13.57,;3.79,-12.81,)|

BDBM50416729

CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)S(C)(=O)=O |r,wD:4.3,7.7,(21.01,-2.29,;19.47,-2.31,;18.72,-3.65,;17.18,-3.67,;16.42,-5.02,;14.88,-5.04,;14.13,-6.38,;14.92,-7.7,;13.37,-7.7,;16.46,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.36,;14.21,-11.7,;12.67,-11.73,;11.87,-10.42,;12.62,-9.07,;11.93,-13.08,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.93,-15.6,;12.84,-14.35,;14.38,-14.35,;6.46,-12.8,;5.12,-13.57,;5.68,-11.46,;7.22,-11.46,)|

BDBM50416730

COCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)ccc2oc1=O |r,wD:5.4,8.8,(21.77,-.95,;21.02,-2.29,;19.48,-2.31,;18.72,-3.65,;17.18,-3.67,;16.43,-5.02,;14.89,-5.04,;14.13,-6.38,;14.92,-7.7,;13.38,-7.7,;16.47,-7.68,;17.21,-6.34,;14.17,-9.04,;14.96,-10.37,;14.22,-11.71,;12.67,-11.73,;11.88,-10.42,;12.63,-9.07,;11.94,-13.09,;10.45,-13.56,;9.12,-12.81,;7.79,-13.57,;6.46,-12.8,;7.79,-15.13,;9.12,-15.89,;10.45,-15.13,;11.94,-15.61,;12.85,-14.35,;14.39,-14.35,)|

BDBM50416731

COCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N |r,wD:5.4,8.8,(17.03,-5.3,;16.28,-6.64,;14.74,-6.66,;13.99,-8,;12.45,-8.02,;11.69,-9.36,;10.15,-9.39,;9.39,-10.73,;10.19,-12.05,;8.64,-12.05,;11.73,-12.03,;12.48,-10.69,;9.43,-13.39,;10.22,-14.71,;9.48,-16.05,;7.94,-16.08,;7.14,-14.77,;7.89,-13.42,;7.2,-17.43,;5.72,-17.91,;4.38,-17.16,;3.05,-17.92,;3.05,-19.48,;4.39,-20.24,;5.72,-19.48,;7.2,-19.96,;8.11,-18.7,;9.65,-18.7,;1.72,-17.15,;.39,-16.38,)|

BDBM50416732

CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2[nH]c1=O |r,wD:4.3,7.7,(20.55,1.43,;19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;5.99,-12.18,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|

BDBM50416733

CCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:4.3,7.7,(20.54,1.43,;19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;12.38,-10.62,;13.92,-10.62,;11.47,-11.88,;9.99,-11.4,;8.65,-12.17,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.84,)|

BDBM50416734

CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:3.2,6.6,(19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8,;11.4,-6.69,;12.16,-5.34,;11.46,-9.36,;12.38,-10.62,;13.92,-10.62,;11.47,-11.88,;9.98,-11.4,;8.65,-12.16,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.84,)|

BDBM50416735

CO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)N1C(=O)Cc2ccc(C)cc12 |r,wD:2.1,5.5,(18.25,.07,;16.71,.05,;15.95,-1.29,;14.41,-1.31,;13.66,-2.66,;14.45,-3.97,;12.9,-3.97,;15.99,-3.95,;16.74,-2.62,;13.69,-5.31,;14.48,-6.64,;13.74,-7.98,;12.2,-8,;11.4,-6.69,;12.15,-5.34,;11.46,-9.36,;12.37,-10.62,;13.91,-10.62,;11.46,-11.88,;9.98,-11.4,;8.65,-12.16,;7.32,-11.4,;7.32,-9.84,;5.99,-9.07,;8.65,-9.08,;9.98,-9.83,)|

BDBM50416736

CO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)ccc2oc1=O |r,wD:2.1,5.5,(6.13,6.12,;4.59,6.1,;3.84,4.76,;2.3,4.74,;1.54,3.39,;2.33,2.07,;.79,2.07,;3.87,2.09,;4.62,3.43,;1.58,.73,;2.37,-.59,;1.62,-1.93,;.08,-1.96,;-.71,-.64,;.04,.7,;-.65,-3.31,;-2.14,-3.79,;-3.47,-3.03,;-4.8,-3.8,;-6.13,-3.02,;-4.8,-5.35,;-3.47,-6.12,;-2.13,-5.35,;-.65,-5.83,;.26,-4.57,;1.8,-4.58,)|

BDBM50416737

CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2ccccc2oc1=O |r,wD:3.2,6.6,(19,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.45,-3.97,;12.91,-3.97,;15.99,-3.95,;16.74,-2.62,;13.7,-5.32,;14.49,-6.64,;13.74,-7.98,;12.2,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.98,-9.84,;8.65,-9.08,;7.32,-9.84,;7.32,-11.4,;8.65,-12.17,;9.99,-11.4,;11.47,-11.88,;12.38,-10.62,;13.92,-10.62,)|

BDBM50416738

CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)c(F)cc2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;5.99,-12.18,;8.66,-12.17,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|

BDBM50416739

CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(C)cc(F)c2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.26,.07,;16.72,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.85,;5.99,-9.07,;7.32,-11.41,;8.66,-12.17,;8.66,-13.71,;9.99,-11.41,;11.47,-11.88,;12.38,-10.62,;13.92,-10.63,)|

BDBM50416725

CCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(OC)ccc2oc1=O |r,wD:3.2,6.6,(19.01,1.41,;18.25,.07,;16.71,.05,;15.96,-1.29,;14.42,-1.31,;13.66,-2.66,;14.46,-3.98,;12.91,-3.97,;16,-3.95,;16.75,-2.62,;13.7,-5.32,;14.49,-6.64,;13.75,-7.98,;12.21,-8.01,;11.41,-6.69,;12.16,-5.34,;11.47,-9.36,;9.99,-9.84,;8.65,-9.08,;7.32,-9.84,;6,-9.08,;4.66,-9.84,;7.32,-11.4,;8.65,-12.17,;9.99,-11.4,;11.47,-11.88,;12.38,-10.62,;13.92,-10.62,)|

BDBM50417445

C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)c1ccccc1

BDBM50421341

COC(=O)[C@H]1C[C@H]2C[C@@H]1N(C)C2

BDBM50421342

COC(=O)[C@@H]1C[C@H]2CN[C@@H]1C2

BDBM50000008

COC(=O)C1CC2CC1N(C)C2

BDBM50000009

COC(=O)C1CC2CNC1C2

BDBM50421343

COC(=O)[C@@H]1C[C@@H]2C[C@H]1N(C)C2

BDBM50421344

COC(=O)[C@H]1C[C@@H]2CN[C@H]1C2

BDBM50423607

CN1CCC=C(C1)c1nsnc1OCCCCn1cccc1 |c:4|

BDBM50423608

CN1CCC=C(C1)c1nsnc1OCCCCn1ccnc1 |c:4|

BDBM50072234

CN1CCC=C(C1)c1nsnc1OCCCCc1ccccc1 |c:4|

BDBM50423609

CN1CCC=C(C1)c1nsnc1OCCCCCCN |c:4|

BDBM50423610

CN1CCC=C(C1)c1nsnc1OCCCCCN |c:4|

BDBM50423611

CN1CCC=C(C1)c1nsnc1OCCCN |c:4|

BDBM50423612

CN1CCC=C(C1)c1nsnc1OCCN |c:4|

BDBM50423613

CN1CCC=C(C1)c1nsnc1OCC(O)=O |c:4|

BDBM50423614

CN1CCC=C(C1)c1nsnc1OCCCCO |c:4|

BDBM50423615

CCOC(=O)CCCCOc1nsnc1C1=CCCN(C)C1 |t:16|

BDBM50423616

CNCCCCOc1nsnc1C1=CCCN(C)C1 |t:13|

BDBM50423617

CN1CCC=C(C1)c1nsnc1OCCCCN |c:4|

BDBM50423618

CN1CCC=C(C1)c1nsnc1OCCCO |c:4|

BDBM50423619

CN1CCC=C(C1)c1nsnc1OCCO |c:4|

BDBM50423967

Cc1nc2sc(C(=O)NCc3ccncc3)c(N)c2c(C)c1Cl

BDBM50423968

Cc1nc2sc(C(=O)NC3CC3)c(N)c2c(C)c1Cl

BDBM50424114

Cc1ccccc1CN1CCC(CC1)N1CCC(C(F)C1)n1c2ccccc2[nH]c1=O

BDBM50424118

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cc(Br)cc(Br)c1 |r|

BDBM50424120

CCOC(=O)N1CCC(CC1)N[C@H]1CCCN(C1)C(=O)c1ccccc1 |r|

BDBM50424122

Cc1ccccc1CN1CCC(CC1)N1CC2CC(CC2C1)n1c2ccccc2[nH]c1=O

BDBM50424119

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1cccc(Br)c1 |r|

BDBM50424117

CCOC(=O)N1CCC(CC1)N1CCC[C@H](C1)NC(=O)c1ccc(nc1)C(F)(F)F |r|

BDBM50424115

O=c1[nH]c2ccccc2n1C1CCN(CC1)C1CC2CCC(C1)N2Cc1ccccc1 |TLB:13:16:23:19.20|

BDBM50424116

Clc1ccccc1CN1C2CCC1CC(C2)N1CCC(CC1)n1c2ccccc2[nH]c1=O |THB:16:14:8:10.11|

BDBM50424639

Cn1cc(cn1)-c1ccc(CN2C(=O)CCc3ccccc23)c(F)c1

BDBM50424640

Cn1cc(cn1)-c1ccc(CN2C(=O)COc3ccccc23)c(F)c1

BDBM50424641

Cn1cc(cn1)-c1ccc(CN2C(=O)C(O)(c3ccccc23)C(F)(F)F)c(F)c1

BDBM50424642

Cn1cc(cn1)-c1ccc(CN2C(=O)C(O)(c3ccccc23)C(F)(F)F)cc1

BDBM50424643

CCn1cc(cn1)-c1ccc(CN2C(=O)C(O)(c3ccccc23)C(F)(F)F)c(F)c1

BDBM50424644

Cn1cc(cn1)-c1ccc(CN2C(=O)CSc3ccccc23)c(F)c1

BDBM50424645

Cn1cc(cn1)-c1ccc(CN2C(=O)Cc3ccccc23)c(F)c1

BDBM50424646

Cn1cc(cn1)-c1ccc(CN2C(=O)C(N)c3ccccc23)c(F)c1

BDBM50424647

Cn1cc(cn1)-c1ccc(CN2C(=O)CS(=O)(=O)c3ccccc23)c(F)c1

BDBM50424648

Cn1cc(cn1)-c1ccc(CN2C(=O)CS(=O)c3ccccc23)c(F)c1

BDBM50424649

Cn1cc(cn1)-c1ccc(CN2C(=O)NCc3ccccc23)c(F)c1

BDBM50424650

Cn1cc(cn1)-c1ccc(CN2C(=O)OCc3ccccc23)c(F)c1

BDBM50424651

Cn1cc(cn1)-c1ccc(CN2C(=O)C(O)(CF)c3ccccc23)c(F)c1

BDBM50424652

Cn1cc(cn1)-c1ccc(CN2C(=O)C(C)(O)c3ccccc23)c(F)c1

BDBM50424653

CN(C)C1(C)C(=O)N(Cc2ccc(cc2)-c2cnn(C)c2)c2ccccc12

BDBM50424654

Cn1cc(cn1)-c1ccc(CN2C(=O)C(C)(N)c3ccccc23)c(F)c1

BDBM50424655

CC1C(=O)N(Cc2ccc(cc2F)-c2cnn(C)c2)c2ccccc12

BDBM50424656

Cn1cc(cn1)-c1ccc(Cn2c3ccccc3ccc2=O)c(F)c1

BDBM50424657

Cn1cc(cn1)-c1ccc(CN2C(=O)C(O)(c3ccccc23)C(F)(F)F)c(Cl)c1

BDBM50424658

Cn1cc(cn1)-c1ccc(CN2C(=O)C(F)(c3ccccc23)C(F)(F)F)c(F)c1

BDBM50424659

Cn1cc(cn1)-c1ccc(CN2c3ccccc3CS2(=O)=O)c(F)c1

BDBM50426279

CN1CCC(=CC1)c1ccccc1C(=O)OCCc1ccc2OCCc2c1 |c:4|

BDBM50426280

CN1CCC(C(=O)OCCc2ccc3OCCc3c2)=C(C1)c1ccccc1 |c:20|

BDBM50426281

COc1ccc(CCOC(=O)C2=C(CN(C)CC2)c2ccccc2)cc1OC |t:11|

BDBM50426223

CCOC(=O)C1=C(CCN(C1)C1CCN(CC1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1 |t:5|

BDBM50426224

CCOC(=O)C1=C(CCN(C1)C1CCN(CC1)C(=O)c1c(Cl)cccc1Cl)c1ccccc1 |t:5|

BDBM50426225

CCOC(=O)C1=C(CCN(C1)C1CCN(CC1)C(=O)c1c(C)cccc1C)c1ccccc1 |t:5|

BDBM50426226

CCOC(=O)C1=C(CCN(CCc2ccc3OCOc3c2)C1)c1ccccc1 |t:5|

BDBM50426227

CCOC(=O)C1=C(CCN(CCc2ccc3OCCc3c2)C1)c1ccccc1 |t:5|

BDBM50426228

CCOC(=O)C1=C(CCN(CCc2ccc(OC)cc2)C1)c1ccccc1 |t:5|

BDBM50426229

CCOC(=O)C1=C(CCN(CCc2ccccc2)C1)c1ccccc1 |t:5|

BDBM50426230

COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2OC)cc1OC |t:11|

BDBM50426231

COc1cccc(c1)C1=C(CN(C)CC1)C(=O)OCCc1ccc(OC)c(OC)c1 |t:9|

BDBM50426232

COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2F)cc1OC |t:11|

BDBM50426233

COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2cccc(F)c2)cc1OC |t:11|

BDBM50426234

COc1ccccc1C1=C(CN(C)CC1)C(=O)OCCc1ccc2OCCc2c1 |t:9|

BDBM50426235

COc1cccc(c1)C1=C(CN(C)CC1)C(=O)OCCc1ccc2OCCc2c1 |t:9|

BDBM50426236

CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1F |c:4|

BDBM50426237

CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1cccc(F)c1 |c:4|

BDBM50426238

CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccc(F)cc1 |c:5|

BDBM50426239

COc1ccc(OCCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:12|

BDBM50426240

COC(COC(=O)C1=C(CCN(C)C1)c1ccccc1)c1ccccc1 |t:7|

BDBM50426241

CN1CCC(=C(C1)C(=O)OCCc1cccc2ccccc12)c1ccccc1 |c:4|

BDBM50426243

COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1C |t:11|

BDBM50426244

CN1CCC(=C(C1)C(=O)OCCc1cccc(F)c1)c1ccccc1 |c:4|

BDBM50426245

CN1CCC(=C(C1)C(=O)OCCc1cccc(C)c1)c1ccccc1 |c:4|

BDBM50426246

CN1CCC(=C(C1)C(=O)OCCc1ccc(cc1)S(C)(=O)=O)c1ccccc1 |c:4|

BDBM50426247

CSc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:11|

BDBM50426248

CN1CCC(=C(C1)C(=O)OCCCc1ccc2OCCc2c1)c1ccccc1 |c:4|

BDBM50426249

CN1CCC(=C(C1)C(=O)OCc1ccc2OCCc2c1)c1ccccc1 |c:4|

BDBM50426250

COc1ccc(CCCCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:13|

BDBM50426251

CCCCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:7|

BDBM50426252

CCCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:6|

BDBM50426253

CN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:4|

BDBM50426254

CCCCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:7|

BDBM50426255

CCCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)cc1)c1ccccc1 |c:6|

BDBM50426256

COc1ccc(CCOC(=O)C2=C(CCN(C)C2)c2ccccc2)cc1 |t:11|

BDBM50426257

COc1ccc(CCOC(=O)C2=C(CCN(Cc3ccc(OC)cc3)C2)c2ccccc2)cc1 |t:11|

BDBM50426258

CCN1CCC(=C(C1)C(=O)OCCc1ccsc1)c1ccccc1 |c:5|

BDBM50426259

CCN1CCC(=C(C1)C(=O)OCCc1ccncc1)c1ccccc1 |c:5|

BDBM50426260

CCN1CCC(=C(C1)C(=O)OCCc1ccccn1)c1ccccc1 |c:5|

BDBM50426261

CCN1CCC(=C(C1)C(=O)OCCc1c(C)cc(C)cc1C)c1ccccc1 |c:5|

BDBM50426262

CCN1CCC(=C(C1)C(=O)OCCc1cc(OC)c(OC)c(OC)c1)c1ccccc1 |c:5|

BDBM50426263

CCN1CCC(=C(C1)C(=O)OCCc1ccc(OC)c(F)c1)c1ccccc1 |c:5|

BDBM50426264

CCN1CCC(=C(C1)C(=O)OCc1ccc2OCOc2c1)c1ccccc1 |c:5|

BDBM50426265

CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCOc2c1)c1ccccc1 |c:5|

BDBM50426266

CCN1CCC(=C(C1)C(=O)OCCc1ccc2OCCc2c1)c1ccccc1 |c:5|

BDBM50426267

CCN1CCC(=C(C1)C(=O)OCCc1ccc(cc1)S(C)(=O)=O)c1ccccc1 |c:5|

BDBM50426268

CCN1CCC(=C(C1)C(=O)OCCc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |c:5|

BDBM50426269

CCN1CCC(=C(C1)C(=O)OCCc1ccc(Br)cc1)c1ccccc1 |c:5|

BDBM50426270

CCN1CCC(=C(C1)C(=O)OCCc1ccc(Cl)cc1)c1ccccc1 |c:5|

BDBM50426271

CCN1CCC(=C(C1)C(=O)OCCc1ccc(F)cc1)c1ccccc1 |c:5|

BDBM50426272

CCN1CCC(=C(C1)C(=O)OCCc1ccccc1C)c1ccccc1 |c:5|

BDBM50426273

CCN1CCC(=C(C1)C(=O)O[C@@H](C)Cc1ccc(OC)cc1)c1ccccc1 |r,c:5|

BDBM50426274

CCN1CCC(=C(C1)C(=O)OCCCc1ccc(OC)cc1)c1ccccc1 |c:5|

BDBM50426275

CCN1CCC(=C(C1)C(=O)OCc1ccc(OC)cc1)c1ccccc1 |c:5|

BDBM50426276

CCN1CCC(=C(C1)C(=O)OCCc1cccc(OC)c1)c1ccccc1 |c:5|

BDBM50426277

CCN1CCC(=C(C1)C(=O)OCCc1ccccc1OC)c1ccccc1 |c:5|

BDBM50368127

CN1[C@H]2CC(C[C@H]1[C@@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |r,TLB:8:9:1:3.5.4,8:7:1:3.5.4,THB:10:4:9.7:1|

BDBM50111346

Cc1cccc(C(=O)N2CCC(CC2)N2CCC(Cc3ccc(cc3)S(=O)(=O)c3cccc(Cl)c3)CC2)c1N

BDBM50428138

CCOC(=O)N1[C@H]2CC[C@@H]1C[C@@H](CN1CC[C@@H](C1)N1C(=O)Cc3ccccc13)C2 |r,THB:3:5:11.28.10:7.8|

BDBM50430304

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCN(CCF)C3)c3ccccc23)c(F)c1

BDBM50430306

Cn1cc(cn1)-c1cc(F)c(CN2C(=O)C3(CCN(C3)C3CCCC3)c3ccccc23)cc1F

BDBM50430307

Cn1cc(cn1)-c1cc(F)c(CN2C(=O)C3(CCN(C3)C3CCCC3)c3ccccc23)c(F)c1

BDBM50430308

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCN(C3)C3CCCC3)c3ccccc23)cc1F

BDBM50430309

Cc1nn(C)cc1-c1ccc(CN2C(=O)C3(CCN(C3)C3CCCC3)c3ccccc23)c(F)c1

BDBM50430310

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCN(C3)c3ncccn3)c3ccccc23)c(F)c1

BDBM50430311

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCN(C3)C(=O)C3CCCCC3)c3ccccc23)c(F)c1

BDBM50430312

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCN(C3)C(=O)C3CCC3)c3ccccc23)c(F)c1

BDBM50430313

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCN(CC(F)F)C3)c3ccccc23)c(F)c1

BDBM50430314

CCN1CCC2(C1)C(=O)N(Cc1ccc(cc1F)-c1cnn(C)c1)c1ccccc21

BDBM50430315

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCN(C3)C3CCCC3)c3ccccc23)c(F)c1

BDBM50430316

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCN(C3)C3CCCCCC3)c3ccccc23)c(F)c1

BDBM50430317

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCN(C3)C3CCCCC3)c3ccccc23)c(F)c1

BDBM50430318

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCN(C3)C3CCCC3)c3ccccc23)cc1

BDBM50430319

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCN(C3)C3CCCC3)c3ccccc23)c(F)c1F

BDBM50430320

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCN(C3)S(C)(=O)=O)c3ccccc23)c(F)c1

BDBM50430321

CC(=O)N1CCC2(C1)C(=O)N(Cc1ccc(cc1F)-c1cnn(C)c1)c1ccccc21

BDBM50430322

CC(C)N1CCC2(C1)C(=O)N(Cc1ccc(cc1F)-c1cnn(C)c1)c1ccccc21

BDBM50430323

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCN(C3)C3CCC3)c3ccccc23)c(F)c1

BDBM50430324

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCNCC3)c3ccccc23)c(F)c1

BDBM50430325

CN1CCC2(CC1)C(=O)N(Cc1ccc(cc1F)-c1cnn(C)c1)c1ccccc21

BDBM50430326

CN1CCC2(CCN(Cc3ccc(cc3F)-c3cnn(C)c3)C2=O)C1

BDBM50430327

CN1CCCC11C(=O)N(Cc2ccc(cc2)-c2cnn(C)c2)c2ccccc12

BDBM50430328

Cn1cc(cn1)-c1ccc(CN2C(=O)C3(CCCO3)c3ccccc23)cc1

BDBM50430329

Cn1cc(cn1)-c1ccc(CN2CC3(OCCO3)c3ccccc23)c(F)c1

BDBM50003016

[I-].C[C@H]1COC[C@H](C[N+](C)(C)C)O1

BDBM54817

CC(C)N(CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1

BDBM50018019

Fc1ccc2c(noc2c1)C1CCN(CCCCNS(=O)(=O)c2cc3ccccc3s2)CC1

BDBM50019335

CCOC(=O)N1CCC(CN2CCC3(CN(c4ncccc34)S(C)(=O)=O)CC2)CC1

BDBM50019401

OC(=O)c1cn(Cc2ccc(cc2)S(F)(=O)=O)c2ccccc2c1=O

BDBM50019402

OC(=O)c1cn(Cc2ccc(cc2)N2C(=O)C=CC2=O)c2ccccc2c1=O |c:17|

BDBM50019403

OC(=O)c1cn(Cc2ccc(NC(=O)CBr)cc2)c2ccccc2c1=O

BDBM50019404

OC(=O)c1cn(Cc2ccc(cc2)N=C=S)c2ccccc2c1=O

BDBM50021892

[H][C@]12CC[C@]([H])(C[C@@H](C1)OC(=O)C(CO)c1ccccc1)[N+]2(C)C(C)C

BDBM50021893

O=C(Nc1sccc1-c1ccccc1)OC12CCN(CC1)CC2

BDBM50021901

O=C(Nc1cscc1-c1ccccc1)OC12CCN(CC1)CC2

BDBM50021904

O=C(Nc1ccsc1-c1ccccc1)OC12CCN(CC1)CC2

BDBM50021905

O=C(Nc1ccsc1-c1ccccc1)O[C@H]1CN2CCC1CC2

BDBM50021907

O=C(Nc1ccsc1-c1ccccc1)O[C@@H]1CN2CCC1CC2

BDBM50021909

O=C(Nc1ncsc1-c1ccccc1)OC12CCN(CC1)CC2

BDBM50021910

O=C(Nc1ncsc1-c1ccccc1)O[C@H]1CN2CCC1CC2

BDBM50021911

O=C(Nc1scnc1-c1ccccc1)O[C@H]1CN2CCC1CC2

BDBM50021918

O=C(Nc1ncoc1-c1ccccc1)O[C@H]1CN2CCC1CC2

BDBM50021919

C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ccsc1-c1ccccc1

BDBM50021922

C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccccc1

BDBM50021924

C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ncsc1-c1ccccc1 |r|

BDBM50021926

C[N+]12CCC(CC1)[C@H](C2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1 |r|

BDBM50021928

C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cccc(Cl)c1

BDBM50021935

C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1ccc(F)cc1

BDBM50021936

C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cccc(c1)C(F)(F)F

BDBM50021938

C[N+]12CCC(CC1)(CC2)OC(=O)Nc1ncsc1-c1cc(Cl)cc(Cl)c1

BDBM50023229

CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2[nH]ncc2c1

BDBM50023230

CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCOc2c1

BDBM50030196

CCCCC1CCN(CC1)CCCN2c3ccccc3CCC2=O

BDBM50030221

CN1CCC=C(C1)c1nsnc1OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|

BDBM50030222

CN1CCC=C(C1)c1nsnc1OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|

BDBM50030223

CN1CCC=C(C1)c1nsnc1OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|

BDBM50030224

CN1CCC=C(C1)c1nsnc1OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|

BDBM50030225

CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|

BDBM50030242

CN1CCC=C(C1)c1nsnc1OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1 |c:4|

BDBM50030243

OCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

BDBM50030245

OCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

BDBM50030246

OCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

BDBM50030247

OCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

BDBM50030248

OCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

BDBM50030249

OCCCCCCCCCCCCCC1CCN(CCCN2C(=O)CCc3ccccc23)CC1

BDBM50030251

O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc34)CC2)CC1

BDBM50034650

Cc1ccc(C)c(Cn2nc3c(c[nH]c4ccccc34)c2=O)c1

BDBM50034652

Cn1nc2c(cn(Cc3ccc(cc3)-n3cccn3)c3ccccc23)c1=O

BDBM50034653

O=c1n(Cc2ccccc2)nc2c1cn(Cc1ccc(cc1)-n1cccn1)c1ccccc21

BDBM50034654

O=C1N(Cc2ccc(cc2)-n2cccn2)c2ccccc2C1=O

BDBM22794

c1ccc(cc1)CN2c3ccccc3C(=O)C2=O

BDBM50034655

O=c1[nH]nc2c1cn(Cc1ccc(cc1)-n1cccn1)c1ccccc21

BDBM50034656

Cn1cc(cn1)-c1ccc(Cn2cc3c(n[nH]c3=O)c3ccccc23)c(F)c1

BDBM50034657

Cc1ccc(Cn2nc3c(cn(Cc4ccc(cc4)-n4cccn4)c4ccccc34)c2=O)c(C)c1

BDBM50034658

Cc1ccc(Cn2nc3c(cn(Cc4ccc(cc4F)-c4cnn(C)c4)c4ccccc34)c2=O)c(C)c1

BDBM50034659

COc1ccc(Cn2cc3c(nn(Cc4ccc(C)cc4C)c3=O)c3ccccc23)cc1

BDBM50034660

Cc1ccc(Cn2nc3c(cn(Cc4ccncc4)c4ccccc34)c2=O)c(C)c1

BDBM50034661

Cc1ccc(Cn2nc3c(cn(Cc4cccnc4)c4ccccc34)c2=O)c(C)c1

BDBM50034662

Cc1ccc(Cn2nc3c(cn(Cc4ccccn4)c4ccccc34)c2=O)c(C)c1

BDBM50034663

Cc1ccc(Cn2nc3c(cn(Cc4ccc(F)cc4)c4ccccc34)c2=O)c(C)c1

BDBM50034664

Cc1ccc(Cn2nc3c(cn(Cc4cccc(F)c4)c4ccccc34)c2=O)c(C)c1

BDBM50034665

Cc1ccc(Cn2nc3c(cn(Cc4ccccc4F)c4ccccc34)c2=O)c(C)c1

BDBM50034666

O=c1n(Cc2ccncc2)nc2c1cn(Cc1ccccc1)c1ccccc21

BDBM50034667

O=c1n(Cc2cccnc2)nc2c1cn(Cc1ccccc1)c1ccccc21

BDBM50034679

O=c1n(Cc2ccccn2)nc2c1cn(Cc1ccccc1)c1ccccc21

BDBM50034680

Cc1ccccc1Cn1nc2c(cn(Cc3ccccc3)c3ccccc23)c1=O

BDBM50034771

Fc1ccccc1Cn1nc2c(cn(Cc3ccccc3)c3ccccc23)c1=O

BDBM50034772

Cn1nc2c(cn(Cc3ccccc3)c3ccccc23)c1=O

BDBM50034773

Cc1ccc(C)c(Cn2nc3c(cn(Cc4ccccc4)c4ccccc34)c2=O)c1

BDBM50044634

OC(=O)\C=C\C(O)=O.CCOC(=O)N1CCC(CN2CCC3(CN(C(=O)N(C)C)c4ncccc34)CC2)CC1

BDBM50044849

COc1ccc(cc1)S(=O)(=O)Nc1c(C)cc(C)cc1C

BDBM50045488

[#6]C1([#8])c2ccccc2-c2ccc(cc12)-[#6](=O)[#7]=[#6]([#7])-[#7]

BDBM50048353

CC1OC2(CS1)CN1CCC2CC1 |(11.51,-9.9,;10.03,-10.68,;8.8,-9.77,;7.54,-10.66,;8.03,-12.15,;9.52,-12.15,;7.54,-9.08,;6.2,-8.31,;5.66,-9.6,;6.74,-10.26,;6.2,-11.43,;4.88,-10.66,;4.88,-9.13,)|

BDBM50048350

[I-].C[C@@]1(C[N+](C)(C)C)COCCO1 |r|

BDBM50048351

[I-].C[C@@H]1OCCO[C@@H]1C[N+](C)(C)C |r|

BDBM50048349

[I-].C[C@H]1OCCO[C@@H]1C[N+](C)(C)C |r|

BDBM50048352

[I-].C[N+](C)(C)C[C@@H]1COCCO1 |r|

BDBM50066074

CSCC1CC(=NO1)C1=CCCN(C)C1 |c:5,t:9|

BDBM50066075

CN1CCC=C(C1)C1=NOC(C1)C#N |c:4,t:8|

BDBM50066076

CN1CCC=C(C1)C1=NOC(C1)N1CCCC1=O |c:4,t:8|

BDBM50066077

CN1CCC=C(C1)C1=NOC(O)C1 |c:4,t:8|

BDBM50066078

CN1CCC=C(C1)c1ccon1 |c:4|

BDBM50066852

CN([C@H]1C[N+]2(CCCOc3ccc(cc3)-c3ccccc3)CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12

BDBM50066853

CN([C@H]1C[N+]2(CCCn3cccc3)CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12

BDBM50066854

O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc12

BDBM50066855

CN(CCC[N+]12CCC(CC1)[C@H](C2)NC(=O)C1(O)c2ccccc2-c2ccccc12)c1ccccc1 |r|

BDBM50066856

O=C(N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(c1cccs1)c1cccs1

BDBM50066857

OC(C(=O)N[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1

BDBM50066858

OC(C(=O)N[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1

BDBM50066859

OC(C(=O)N[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)(c1cccs1)c1cccs1

BDBM50066860

OC(C(=O)N[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1

BDBM50066861

[H][C@]12O[C@@]1([H])[C@]1([H])C[C@@]([H])(C[C@@]2([H])[N+]1(C)C)OC(=O)C(O)(c1cccs1)c1cccs1

BDBM50066862

CN([C@H]1CN2CCC1CC2)C(=O)C1c2ccccc2Oc2ccccc12 |r,wD:2.1,(2.41,3.22,;1.35,3.84,;1.36,5.38,;2.78,6.15,;2.8,7.76,;1.41,8.59,;-.02,7.79,;-.05,6.18,;1.24,6.26,;1.28,7.52,;.01,3.08,;-1.05,3.7,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)|

BDBM50066863

O=C(N[C@H]1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |r,wU:3.2,(-1.05,3.7,;.01,3.08,;1.35,3.84,;1.36,5.38,;-.04,6.17,;-.04,7.78,;1.36,8.59,;2.77,7.78,;2.79,6.16,;1.5,6.26,;1.47,7.51,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;2.67,1.54,;1.31,.77,)|

BDBM50066864

OC1(C(=O)N[C@H]2CN3CCC2CC3)c2ccccc2-c2ccccc12 |r,wU:5.4,(1.13,-2.03,;,-1.41,;-1.05,-2.61,;-.61,-3.81,;-2.63,-2.33,;-3.67,-3.56,;-3.06,-5.13,;-4.13,-6.43,;-5.8,-6.14,;-6.4,-4.55,;-5.33,-3.24,;-4.36,-4.18,;-5.17,-5.21,;-1.32,-.65,;-2.67,-1.41,;-3.97,-.65,;-3.97,.88,;-2.67,1.65,;-1.32,.88,;1.32,.88,;2.65,1.65,;4.01,.88,;4.01,-.65,;2.65,-1.41,;1.32,-.65,)|

BDBM50066865

CCC(O)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 |r,wD:7.6,(-.7,-3.69,;-1.58,-3.17,;-1.57,-1.6,;-1.56,-.37,;-.25,-2.38,;-.26,-3.41,;1.1,-1.63,;2.43,-2.41,;2.41,-4.02,;3.81,-4.82,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.73,;4.33,-3.38,;-2.91,-2.36,;-3.07,-3.88,;-4.58,-4.18,;-5.33,-2.84,;-4.29,-1.71,)|

BDBM50066866

O[C@@](C1CCCC1)(C(=O)N[C@H]1CN2CCC1CC2)c1cccs1 |r,wD:10.10,1.20,(-1.96,.59,;-.74,.79,;.78,1.05,;1.85,-.04,;3.22,.67,;2.97,2.19,;1.44,2.42,;.24,-.4,;1.25,-.23,;-.3,-1.84,;.68,-3.03,;.11,-4.54,;1.15,-5.77,;2.75,-5.49,;3.3,-3.95,;2.27,-2.71,;1.35,-3.62,;2.14,-4.59,;-.2,2.24,;1.05,3.11,;.59,4.58,;-.95,4.59,;-1.44,3.13,)|

BDBM50066867

O=C(N[C@H]1CN2CCC1CC2)C(c1cccs1)c1cccs1 |r,wD:3.2,(-.26,-3.62,;-.25,-2.38,;1.1,-1.63,;2.43,-2.41,;2.41,-4.03,;3.81,-4.83,;5.21,-4.01,;5.21,-2.38,;3.81,-1.57,;3.26,-2.74,;4.33,-3.38,;-1.57,-1.6,;-2.91,-2.36,;-3.07,-3.88,;-4.58,-4.19,;-5.34,-2.85,;-4.3,-1.71,;-1.56,-.06,;-2.79,.84,;-2.3,2.29,;-.76,2.28,;-.3,.81,)|

BDBM50066850

OC(C(=O)N[C@H]1CN2CCC1CC2)(c1cccs1)c1cccs1 |r,wD:5.4,(-1.32,.06,;-1.75,-1.1,;-.77,-2.29,;-1.2,-3.44,;.75,-2.03,;1.73,-3.23,;1.16,-4.74,;2.21,-5.97,;3.8,-5.68,;4.36,-4.15,;3.32,-2.91,;2.4,-3.81,;3.19,-4.79,;-3.27,-1.35,;-4.35,-.27,;-5.71,-.97,;-5.46,-2.49,;-3.94,-2.72,;-.23,-.84,;1.15,-1.49,;2.19,-.36,;1.43,.98,;-.08,.68,)|

BDBM50066851

OC(C(=O)N[C@H]1CN2CCC1CC2)(c1ccccc1)c1ccccc1 |r,wD:5.4,(-1.32,.06,;-1.75,-1.1,;-.77,-2.29,;-1.2,-3.44,;.75,-2.03,;1.73,-3.23,;1.16,-4.74,;2.21,-5.97,;3.8,-5.68,;4.36,-4.15,;3.32,-2.91,;2.4,-3.81,;3.19,-4.79,;-3.27,-1.35,;-3.81,-2.79,;-5.33,-3.04,;-6.31,-1.85,;-5.77,-.41,;-4.25,-.16,;-.23,-.84,;1.1,-1.63,;2.44,-.87,;2.45,.67,;1.12,1.45,;-.22,.7,)|

BDBM50070798

NC(=O)c1ccccc1OCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1

BDBM50075195

CC[C@@H]1SC2(CCNCC2)N(CCCCCCCCOc2ccc3cc(Cn4cc(C(O)=O)c(=O)c5cccc(F)c45)ccc3c2)C1=O |r|

BDBM50075196

[Br-].C[N+](C)(CCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O)CC#CCOC1=NOCC1 |t:37|

BDBM50075197

[Br-].C[N+](C)(CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O)CC#CCOC1=NOCC1 |t:37|

BDBM50075198

[Br-].C[N+](C)(CCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O)CC#CCOC1=NOCC1 |t:38|

BDBM50075199

[Br-].C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2c(F)cccc2c1=O)CC#CCOC1=NOCC1 |t:39|

BDBM50075200

[Br-].C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O)CC#CCOC1=NOCC1 |t:39|

BDBM50075201

[Br-].C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2cc(Cl)c(F)cc2c1=O)CC#CCOC1=NOCC1 |t:40|

BDBM50075202

[Br-].C[N+](C)(CCCCCCNC(=O)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O)CC#CCOC1=NOCC1 |t:39|

BDBM50075203

CCCCCCCCN1CCC(CC1)n1c2ccccc2[nH]c1=O

BDBM50089354

CCC[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)Nc3c4cc(ccc4ncn3)C(F)(F)F)N(C)C(C)C

BDBM50106425

Clc1ccc(cc1)-c1ccc(CNC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1

BDBM50106426

CN(C(=O)\C=C\c1ccc(cc1)-c1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1

BDBM50106427

Clc1ccc(cc1)-c1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1

BDBM50106428

Clc1ccc(cc1)-c1ccc(CCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1

BDBM50106429

CN(CCCc1ccc(cc1)-c1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1

BDBM50106430

Clc1ccc(cc1)-c1ccc(\C=C\C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1

BDBM50106489

Clc1ccc(cc1)-c1ccc(cc1)C#CC(=O)Nc1ccc(CN2CCCCC2)cc1

BDBM50106487

Clc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCCC3)cc2)cc1

BDBM50106520

COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCCC3)cc2)nn1

BDBM50106521

Fc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCCC3)cc2)nn1

BDBM50106522

Clc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCCC3)cc2)nn1

BDBM50106525

N#Cc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCCC3)cc2)nn1

BDBM50106526

COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCC3)cc2)nn1

BDBM50106527

COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN(C)C)cc2)nn1

BDBM50106528

COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCOCC3)cc2)nn1

BDBM50106529

COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCCC(O)C3)cc2)nn1

BDBM50106530

COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCC(O)CC3)cc2)nn1

BDBM50106544

COc1ccc(cc1)-c1ccc(CCCNc2ccc(CN3CCC(CC3)NC(C)=O)cc2)nn1

BDBM50106579

OC1CCN(Cc2ccc(NCCCc3ccc(OCc4ccccc4)nn3)cc2)CC1

BDBM50106524

OC1CCN(Cc2ccc(NCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1

BDBM50106523

CC(=O)NC1CCN(Cc2ccc(NCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1

BDBM50106582

O[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(nn3)-c3ccc(Cl)cc3)cc2)C1 |r|

BDBM50106583

OCC1CCN(Cc2ccc(OCCCc3ccc(nn3)-c3ccc(Cl)cc3)cc2)CC1

BDBM50106584

O[C@@H]1CCCN(Cc2ccc(OCCCc3ccc(Oc4ccccc4)nn3)cc2)C1 |r|

BDBM50106585

OC1CCN(Cc2ccc(OCCCc3ccc(nn3)-c3ccc(Cl)cc3)cc2)CC1

BDBM50106586

OCC1CCN(Cc2ccc(OCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1

BDBM50106600

OC1CCN(Cc2ccc(OCCCc3ccc(nn3)-c3ccc(F)cc3)cc2)CC1

BDBM50106601

CC(=O)NC1CCN(Cc2ccc(OCCCc3ccc(nn3)-c3ccc(F)cc3)cc2)CC1

BDBM50106602

CC(=O)NC1CCN(Cc2ccc(OCCCc3ccc(Cc4ccccc4)nn3)cc2)CC1

BDBM50106603

CC(=O)NC1CCN(Cc2ccc(OCCCc3ccc(Oc4ccccc4)nn3)cc2)CC1

BDBM50107746

Clc1ccc(cc1)-c1ccc(nc1)C#Cc1ccc(OCCN2CCCC2)cc1

BDBM50107747

CC1CCN(CCOc2ccc(cc2)C#Cc2ccc(cn2)-c2ccc(Cl)cc2)CC1

BDBM50107748

NC(=O)C1CCN(CCOc2ccc(cc2)C#Cc2ccc(cn2)-c2ccc(Cl)cc2)CC1

BDBM50107749

CC1CCN(CCOc2ccc(cc2)C#Cc2ncc(cc2F)-c2ccc(Cl)cc2)CC1

BDBM50107750

OC[C@H]1CCCN1CCOc1ccc(cc1)C#Cc1ccc(cn1)-c1ccc(Cl)cc1 |r|

BDBM50107751

Cc1cc(ccc1OCCN1CCC[C@H]1CO)C#Cc1ccc(cn1)-c1ccc(Cl)cc1 |r|

BDBM50107733

Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1ccc(CN2CCCC2)cc1

BDBM50107734

CC(=O)N1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(Cl)cc3)cc2)CC1

BDBM50107735

CC(=O)NC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1

BDBM50107736

CN(CCc1ccc(CN2CCC(CC2)NC(C)=O)cc1)C(=O)c1ccc(cc1)-c1ccc(F)cc1

BDBM50107737

CC(=O)CNC1CCN(Cc2ccc(CCNC(=O)c3ccc(cc3)-c3ccc(F)cc3)cc2)CC1

BDBM50107738

CCNC(=O)N(C)Cc1ccc(CCNC(=O)c2ccc(cc2F)-c2ccc(Cl)cc2)cc1

BDBM50112157

Cn1ncc2cc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc34)ccc12 |r|

BDBM50112158

Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)c(F)c1 |r|

BDBM50112159

Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@]3(C)O)c3ncccc23)c(F)c1 |r|

BDBM50112160

Cn1cc(cn1)-c1ccc(Cn2nc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1 |r|

BDBM50112161

Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCOC[C@@H]3O)c3ncccc23)c(F)c1 |r|

BDBM50112162

Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1 |r|

BDBM50112163

Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1 |r|

BDBM50112164

Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cn1 |r|

BDBM50112165

Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1F |r|

BDBM50112166

CNC(=O)c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1 |r|

BDBM50112348

CC(C)NC(=O)N1CC[C@@H](C1)NC1=Nc2cc(F)ccc2N(CC(F)F)c2ccc(Cl)cc12 |r,t:13|

BDBM50112349

CN1CCN(CC1)C2=Nc3cc(ccc3Nc4c2cc(cc4)F)F

BDBM50114872

COc1cc2C(CN(C)C3Cc4cc5OCOc5cc4-c(c1OC)c23)c1ccccc1

BDBM50119623

C\C(Nc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|

BDBM50119624

CN(\C(C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1)c1ccc(F)cc1 |r|

BDBM50119625

COc1ccc(N\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)cc1 |r|

BDBM50119626

C\C(NCc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|

BDBM50119627

COc1cccc(CN\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)c1 |r|

BDBM50119628

COc1ccccc1CN\C(C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|

BDBM50119629

COc1ccc(CN\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)cc1 |r|

BDBM50119630

C\C(NCc1cccc(F)c1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|

BDBM50119632

C\C(NCc1ccccc1F)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|

BDBM50119635

C\C(NCCc1ccc(F)cc1)=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|

BDBM50119636

COc1ccc(CCN\C(C)=N\c2ccc3C[C@@H](O)[C@H](NC(=O)c4ccc(Br)cc4)c3c2)cc1 |r|

BDBM50119637

CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|

BDBM50119638

CN(CCc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|

BDBM50119639

CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(F)cc3)c2c1 |r|

BDBM50119641

CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Cl)cc3)c2c1 |r|

BDBM50119643

COc1ccc(cc1)C(=O)N[C@H]1[C@H](O)Cc2ccc(cc12)\N=C(/C)N(C)Cc1ccc(F)cc1 |r|

BDBM50119644

CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(C)cc3)c2c1 |r|

BDBM50119645

CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(cc3)C(F)(F)F)c2c1 |r|

BDBM50119646

CN(Cc1ccc(F)cc1)C(\C)=N\c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(cc3)-c3ccccc3)c2c1 |r|

BDBM50119647

CN1CCCC\C1=N/c1ccc2C[C@@H](O)[C@H](NC(=O)c3ccc(Br)cc3)c2c1 |r|

BDBM50119648

C#CCO[C@H]1CN2CCC1CC2 |wU:4.3,(10.21,-8.05,;8.84,-8.8,;7.52,-9.57,;6.13,-8.8,;4.75,-9.57,;4.75,-11.19,;3.37,-11.99,;2.03,-11.19,;2.03,-9.66,;3.37,-8.88,;3.81,-10.1,;3,-10.66,)|

BDBM50128835

O[C@@H](CNCCc1ccc(CCN2CCC(Cn3cnc(n3)[C@@](O)(C3CCCCC3)c3ccccc3)CC2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r|

BDBM50129143

COc1ccc(CCOC(=O)C2(CCN(C)CC2)c2ccccc2)cc1OC

BDBM50129179

COc1ccc(CCOC(=O)C2(CCN(C)CC2)c2ccccc2)cc1

BDBM50129190

COc1ccc(CCNC(=O)C2(CCN(C)CC2)c2ccccc2)cc1OC

BDBM50129247

COc1ccc(CCNC(=O)C2(CCN(C)CC2)c2ccccc2)cc1

BDBM50129248

COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1OC

BDBM50129249

COc1ccc(CCC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1

BDBM50129250

COc1ccc(CCC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1OC

BDBM50129251

COc1ccc(CCC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1

BDBM50129252

COc1ccc(CCNC(=O)OCC2(CCN(C)CC2)c2ccccc2)cc1OC

BDBM50129257

COc1ccc(CCOC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1

BDBM50129258

COc1ccc(CCNC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1OC

BDBM50129259

COc1ccc(CCNC(=O)NCC2(CCN(C)CC2)c2ccccc2)cc1

BDBM50130927

[H][C@]12CC[C@]([H])(C[C@@H](CN3CC[C@H](C3)N3Cc4ccccc4NC3=O)C1)N2C(=O)OCC |r|

BDBM50135188

Cn1ccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)cc1 |r|

BDBM50135191

O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc3ncccc3c2)c2cccnc12 |r|

BDBM50135192

O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cc(cn2)-c2ccncc2)c2cccnc12 |r|

BDBM50135194

O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-c2cncnc2)c2cccnc12 |r|

BDBM50135196

O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)C#N)c2cccnc12 |r|

BDBM50135199

O[C@H]1COCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12 |r|

BDBM50135200

CN(C)C(=O)CNC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12

BDBM50135204

O=C(NC[C@@H]1CCCO1)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12 |r|

BDBM50135205

OC[C@H]1CC[C@@H](CC1)NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12 |r,wU:5.8,wD:2.1,(6.87,9.12,;5.66,8.87,;5.18,7.41,;3.68,7.09,;3.2,5.62,;4.23,4.48,;5.73,4.8,;6.21,6.26,;3.75,3.01,;2.24,2.7,;1.42,3.61,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.75,-3.01,;4.24,-4.47,;5.75,-4.78,;6.77,-3.63,;6.28,-2.16,;4.77,-1.86,;8.28,-3.93,;8.9,-5.33,;10.43,-5.16,;10.73,-3.65,;9.39,-2.89,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,)|

BDBM50135206

Cn1ccc(NC(=O)c2cn(Cc3ccc(cc3)-n3cccn3)c3cccnc23)n1

BDBM50135207

OC1(CNC(=O)c2cn(Cc3ccc(cc3)-n3cccn3)c3cccnc23)CCC1

BDBM50135208

O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2ccccc12 |r|

BDBM50135209

O[C@H]1CCCC[C@@H]1NC(=O)c1nn(Cc2ccc(cc2)-n2cccn2)c2ccccc12 |r|

BDBM50135210

O[C@H]1CCCC[C@@H]1NC(=O)c1nn(Cc2ccc(cc2)-n2cccn2)c2cccnc12 |r|

BDBM50135216

Cc1cnc2c(cn(Cc3ccc(cc3)-c3ccn(C)n3)c2c1)C(=O)N[C@H]1CCOC[C@@H]1O |r|

BDBM50135217

Cc1ccnc2c(cn(Cc3ccc(cc3)-c3ccn(C)n3)c12)C(=O)N[C@H]1CCOC[C@@H]1O |r|

BDBM50139860

Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(F)cc2)n1C

BDBM50139861

Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C

BDBM50139852

Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)C(N)=O

BDBM50154842

Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccccc2)n1C

BDBM50154843

Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(cc2F)C(F)(F)F)n1C

BDBM50154844

Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cccnc1

BDBM50154845

Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1cc[nH]c(=O)c1

BDBM50154846

Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(=O)n(C)c1

BDBM50154849

Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2)nnc1C1CCOCC1

BDBM50174736

Cc1ccc(OC2CCN(CC2)c2ncnc3ccc(F)cc23)cn1

BDBM50185422

Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2cnc3ccccc3c2=O)c(F)c1

BDBM50185423

Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2cnc3cnccc3c2=O)c(F)c1

BDBM50185424

Cn1cc2c(cccc2n1)-c1cc(F)c(Cn2c3ccccc3ncc2=O)c(F)c1

BDBM50185425

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCc3ncccc3C2=O)c(F)c1

BDBM50185426

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2C=CC3=NCCN3C2=O)c(F)c1 |c:19,t:21|

BDBM50185427

Cn1cc(cn1)-c1ccc(CN2Cc3ncccc3C2=O)c(F)c1

BDBM50185428

Cn1cc2c(cccc2n1)-c1cc(F)c(CN2CCn3nccc3C2=O)c(F)c1

BDBM50185429

Cn1cc2cc(ccc2n1)-c1cc(F)c(CN2CCn3nccc3C2=O)c(F)c1

BDBM50185430

Cn1cc2cc(ccc2n1)-c1cc(F)c(Cn2c3cccnc3ncc2=O)c(F)c1

BDBM50185431

Fc1cc(cc(F)c1Cn1cnc2cnccc2c1=O)-c1ccc2cnccc2c1

BDBM50185432

Cn1cnc2ccc(cc12)-c1cc(F)c(Cn2cnc3cnccc3c2=O)c(F)c1

BDBM50191978

Cc1ncc(cc1NC(=O)c1cnn2cc(ccc12)-c1cnn(C)c1)C(=O)NCCN1CCCC1(C)C

BDBM50192021

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCN(CC1)C(N)=O |r|

BDBM50192338

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1=CC=NC(=O)C1 |r,c:33,t:31|

BDBM50192235

Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|

BDBM50192246

Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|

BDBM50192316

Cc1ncoc1-c1nnc(SCCCN2CC[C@]3(C[C@H]3c3ccc(F)cc3C(F)(F)F)C2)n1C |r|

BDBM50192340

Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3C(F)(F)F)C2)n1C |r|

BDBM50192030

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1cccc(c1)C(N)=O |r|

BDBM50192240

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)-c1ncco1 |r|

BDBM50192025

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1=CCC(=O)N=C1 |r,c:36,t:31|

BDBM50192027

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccn(C)c(=O)c1 |r|

BDBM50192033

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1csnn1 |r|

BDBM50192023

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(nc1)C(N)=O |r|

BDBM50192098

Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccc(cc3F)C(F)(F)F)C2)n1C |r|

BDBM50192329

Cc1ncccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r|

BDBM50192332

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1CCOCC1 |r|

BDBM50192034

Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccccc3)C2)n1C |r|

BDBM50192100

Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(cc3F)C(F)(F)F)C2)n1C |r|

BDBM50192317

Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1-c1ccc(cc1)C(N)=O |r|

BDBM50192024

Cc1nc(ccc1-c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C)C(N)=O |r|

BDBM50192339

CC(=O)NC1CCC(CC1)c1nnc(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)n1C |r,wU:21.36,23.25,(23.01,-43.94,;22.38,-42.53,;23.29,-41.28,;20.85,-42.37,;20.22,-40.96,;18.69,-40.8,;18.07,-39.41,;18.97,-38.16,;20.5,-38.31,;21.12,-39.72,;18.34,-36.76,;19.11,-35.42,;18.07,-34.28,;16.66,-34.91,;15.33,-34.15,;14,-34.92,;12.66,-34.15,;11.33,-34.92,;9.99,-34.16,;9.83,-32.63,;8.32,-32.31,;7.55,-33.64,;6.11,-33.09,;6.35,-34.62,;5.81,-36.05,;4.28,-36.29,;3.73,-37.73,;4.71,-38.93,;6.23,-38.68,;6.78,-37.24,;4.16,-40.37,;2.64,-40.61,;5.13,-41.56,;3.75,-41.85,;8.59,-34.79,;16.83,-36.44,;15.69,-37.48,)|

BDBM50204306

[H][C@@]12CCC[C@@]3([H])N(CCC)CC[C@@]([H])(c4cc5ccc(cc5nc4[C@@H]1CC)C(F)(F)F)[C@]23[H] |r|

BDBM50204312

[H][C@]12CCN(C)[C@]3([H])CCC[C@]([H])([C@@H](Cc4ccccc4)C(=O)C1)[C@@]23[H] |r|

BDBM50207517

Cc1c(nnc2c1c(c(s2)C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)(F)F)N)C

BDBM50207463

Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(=O)(=O)C(F)F)c(N)c2c1C

BDBM50207516

Cc1nnc2sc(C(=O)NCc3ccc(cc3)S(F)(F)(F)(F)F)c(N)c2c1C

BDBM50213344

Cn1cc(C(=O)C(=O)N[C@H]2CN3CCC2CC3)c2ccccc12 |wU:9.8,(10.51,-11.56,;10.03,-10.1,;10.93,-8.84,;10,-7.6,;10.47,-6.14,;9.44,-4.99,;11.98,-5.81,;13.01,-6.95,;12.45,-4.34,;13.94,-4.02,;14.41,-2.55,;15.91,-2.22,;16.95,-3.36,;16.47,-4.83,;14.97,-5.16,;16.06,-4.06,;14.82,-3.32,;8.55,-8.09,;7.21,-7.32,;5.88,-8.09,;5.88,-9.63,;7.21,-10.4,;8.56,-9.63,)|

BDBM50213343

Cn1cc(C(=O)C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc12 |wD:9.8,(9.31,-11.63,;8.84,-10.16,;9.73,-8.91,;8.82,-7.65,;9.29,-6.2,;8.25,-5.05,;10.79,-5.85,;11.84,-7,;11.27,-4.4,;12.77,-4.05,;13.23,-2.6,;14.74,-2.27,;15.78,-3.41,;15.3,-4.87,;13.8,-5.2,;14.89,-4.1,;13.64,-3.35,;7.35,-8.14,;6.02,-7.37,;4.68,-8.16,;4.68,-9.7,;6.02,-10.47,;7.37,-9.69,)|

BDBM85027

COc1ccc(CCCN2CCC(CCC(=O)c3cc(Cl)c(N)c4OCCOc34)CC2)cc1OC

BDBM50213288

CN(CCCCCCCCN(C)CCCCCCN1CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1)CCCCCCN1CCC2(CC1)OC(=O)C(O2)(c1ccccc1)c1ccccc1

BDBM50213289

CN(CCCCCCCCN(C)CCCCCCN1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1)CCCCCCN1CCC(CC1)OC(=O)C(O)(c1ccccc1)c1ccccc1

BDBM50213287

CN(CCCCCCCCN(C)CCCCCCN1CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1)CCCCCCN1CCC(CC1)OC(=O)C(c1ccccc1)c1ccccc1

BDBM50219351

CN(C)CCNC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|

BDBM50219352

CN(C)CCNC(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:8|

BDBM50219350

CN(C)CCN(C)C(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:9|

BDBM50219392

CN(C)CCOC(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:8|

BDBM50219394

CN(C)CCOC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|

BDBM50219395

O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.63,-5.72,;26.14,-5.39,;26.61,-3.92,;25.57,-2.78,;24.07,-3.12,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|

BDBM50219396

O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:13,(23.63,-10.62,;22.12,-10.32,;21.1,-11.46,;21.59,-12.93,;20.09,-13.37,;19.7,-14.93,;20.87,-16.02,;22.4,-15.56,;22.75,-14,;22.12,-15.11,;20.87,-15.48,;21.63,-8.85,;22.54,-7.61,;21.63,-6.36,;22.09,-4.91,;23.59,-4.57,;24.05,-3.12,;25.54,-2.78,;26.59,-3.92,;26.12,-5.39,;24.61,-5.71,;20.17,-6.85,;18.83,-6.08,;17.51,-6.87,;17.51,-8.39,;18.83,-9.17,;20.17,-8.39,)|

BDBM50219353

CN(C)CCNC(=O)C1=C\C(=C/c2ccccn2)c2ccccc12 |t:8|

BDBM50219397

CN1CCN(CC1)C(=O)C1=C\C(=C/c2ccncc2)c2ccccc12 |t:10|

BDBM50219393

O=C(OC1CN2CCC1CC2)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:13,(23.65,-10.63,;22.14,-10.33,;21.12,-11.47,;21.61,-12.94,;20.11,-13.38,;19.72,-14.94,;20.88,-15.49,;22.14,-15.12,;22.77,-14.01,;22.42,-15.57,;20.88,-16.04,;21.65,-8.86,;22.56,-7.62,;21.64,-6.37,;22.11,-4.92,;23.61,-4.57,;24.07,-3.12,;25.57,-2.78,;26.61,-3.92,;26.14,-5.39,;24.63,-5.72,;20.18,-6.86,;18.85,-6.09,;17.52,-6.87,;17.52,-8.4,;18.85,-9.18,;20.18,-8.4,)|

BDBM81452

CC(C1=C(CCN(C)C)Cc2ccccc12)c1ccccn1 |c:2|

BDBM50219349

CN(C)CCN(C)C(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:9|

BDBM50219354

CN(C)CCC1=C\C(=C/c2ccccn2)c2ccccc12 |t:5|

BDBM50219391

CN(C)CCOC(=O)C1=C\C(=C/c2cccnc2)c2ccccc12 |t:8|

BDBM50219390

CN(C)CCC1=C\C(=C/c2cccnc2)c2ccccc12 |t:5|

BDBM50219973

[H][C@]12C[C@@]3([H])CCCC[C@@]3([H])[C@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@]1([H])[C@H](C)OC2=O

BDBM50219974

[H][C@@]12C[C@]3([H])CCCC[C@]3([H])[C@@H](\C=C/[C@H]3CCC[C@H](C)N3C)[C@]1([H])[C@H](C)OC2=O

BDBM50219978

[H][C@@]12C[C@]3([H])CCCC[C@]3([H])[C@@H](\C=C\[C@H]3CCC[C@H](C)N3C)[C@]1([H])[C@H](C)OC2=O

BDBM50219979

[H][C@]12C[C@@]3([H])CCCC[C@@]3([H])[C@H](\C=C/[C@H]3CCC[C@H](C)N3C)[C@@]1([H])[C@H](C)OC2=O

BDBM50219976

[H][C@]12C[C@@]3([H])CCCC[C@]3([H])[C@@H](\C=C/[C@H]3CCC[C@H](C)N3C)[C@@]1([H])[C@H](C)OC2=O

BDBM50219972

[H][C@]12C[C@@]3([H])CCCC[C@]3([H])[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@@]1([H])[C@H](C)OC2=O

BDBM50219975

[H][C@@]12C[C@]3([H])CCCC[C@]3([H])[C@@H](C#C[C@H]3CCC[C@H](C)N3C)[C@]1([H])[C@H](C)OC2=O

BDBM50219977

C[C@H]1CCC[C@@H](N1C)/C=C/[C@H]2[C@@H]3CCCC[C@@H]3C[C@H]4[C@@H]2[C@@H](OC4=O)C