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629 SMILES Strings for NAD-Dependent Deacetylase Sirtuin-1

Compound NameSMILES String
BDBM2582 CN1C(=O)C(=C(C1=O)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 |c:4|
BDBM2683 CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:9|
BDBM3175 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4|
BDBM7307 Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1
BDBM19410 Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
BDBM23926 Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
BDBM27507 NC(=O)c1cccnc1
BDBM29590 O=C1CCc2c(O1)ccc1ccccc21
BDBM29040 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1
BDBM29041 Oc1ccc2ccccc2c1Cc1c([nH]c(=O)[nH]c1=O)-c1ccccc1
BDBM29042 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(Br)cc1
BDBM29043 COc1ccc(cc1)-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
BDBM29044 Oc1ccc(cc1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1)-c1ccccc1
BDBM29045 Cc1ccccc1-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
BDBM29046 Cc1cccc(c1)-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
BDBM29047 Cc1ccc(cc1)-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12
BDBM29048 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(Cl)cc1
BDBM29049 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(I)cc1
BDBM29050 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(cc1)C(F)(F)F
BDBM29051 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1Br
BDBM29052 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1cccc(Br)c1
BDBM29053 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1cccc(Cl)c1
BDBM29054 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1F
BDBM29055 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1cccc(F)c1
BDBM29056 Cn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
BDBM29057 CCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
BDBM29058 Oc1ccc2ccccc2c1Cc1c(-c2ccccc2)n(CC=C)c(=S)[nH]c1=O
BDBM29059 CCCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
BDBM29060 CCCCn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S
BDBM31926 Oc1c(Br)cc(\C=N\NC(=O)c2ccc(Cl)cc2)c(O)c1Br
BDBM31962 Oc1c(Br)cc(C=NNC(=O)c2ccc(cc2)-c2ccccc2)c(O)c1Br |w:6.5|
BDBM31963 Oc1c(Br)cc(C=NNC(=O)c2ccc-3c(Cc4ccccc-34)c2)c(O)c1Br |w:6.5|
BDBM31965 Oc1cc2ccccc2cc1C(=O)NN=Cc1cc(Br)c(O)c(Br)c1O |w:15.17|
BDBM31967 Oc1c(Br)cc(C=NNC(=O)c2ccc3cc(Br)ccc3c2)c(O)c1Br |w:6.5|
BDBM31930 Oc1c(Br)cc(\C=N\NC(=O)c2ccc3ccccc3c2)c(O)c1Br
BDBM34328 Fc1ccc(cc1)-c1ccc(o1)-c1nn2c(nnc2s1)-c1ccco1
BDBM38321 COc1ccc(cc1OC)-c1nn2c(nnc2s1)-c1ccco1
BDBM40580 c1coc(c1)-c1nn2c(nnc2s1)-c1ccco1
BDBM42882 COc1ccc(OC)c(c1)C(=O)c1coc2ccc(O)cc12
BDBM52057 COc1ccc(OC)c(c1)C(=O)c1coc2ccc(O)c(CN3CCOCC3)c12
BDBM55148 O=C1NC(=S)NC(=O)C1=Cc1cc2ccccc2[nH]1 |(8.1,-1.07,;9.64,-1.07,;10.41,-2.41,;11.95,-2.41,;12.72,-3.74,;12.72,-1.07,;11.95,.26,;12.72,1.59,;10.41,.26,;9.64,1.59,;8.1,1.59,;7.2,.35,;5.75,.82,;4.41,.05,;3.08,.82,;3.08,2.36,;4.41,3.13,;5.75,2.36,;7.2,2.83,)|
BDBM54959 CCOc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
BDBM69620 Oc1ccc2occ(C(=O)c3ccc(Br)cc3)c2c1
BDBM69626 CC(=O)Oc1ccc2occ(C(=O)c3ccccc3)c2c1
BDBM69064 COc1ccc(OC)c(c1)C(=O)c1coc2ccc(OC(C)=O)cc12
BDBM74978 S=c1[nH]c2ccc3ccccc3c2[nH]1
BDBM50004135 NC(=O)c1ccccc1Nc1cccc(c1)-c1cn(CCC2CCCC2)nn1
BDBM50004795 CC(C)c1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2nc(Cl)ccc12
BDBM50004764 Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(ccc12)-c1ccccc1
BDBM50004765 Cc1ccc(cc1)-c1[nH][nH]c(=O)c1Cc1c(O)ccc2cc(Br)ccc12
BDBM99918 CN(C)CCCCC(=O)Nc1ccc(NC(=O)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
BDBM99920 CN(C)CCCCCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
BDBM99919 CN(C)CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
BDBM99921 CN(C)CCOCCOCCOCCOCCOCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
BDBM99922 CN(C)CCCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
BDBM50004777 COc1cc2ccccc2c(Cc2c([nH][nH]c2=O)-c2ccc(C)cc2)c1O
BDBM50004887 Cc1ccc(cc1)-c1[nH]oc(=O)c1Cc1c(O)ccc2cc(Br)ccc12
BDBM50004137 NC(=O)c1ccccc1Nc1ccc(cc1)-c1cn(Cc2ccccc2)nn1
BDBM99917 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
BDBM50000029 Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O
BDBM50156760 CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50177983 C[C@@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50177984 CC(NC(=O)c1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50177985 CC(NC(=O)c1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50177986 C[C@H](NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50178777 Cc1ccc2[nH]c3C(CN)CCCc3c2c1
BDBM50178778 NC(=O)C1NCCc2c1[nH]c1ccc(Br)cc21
BDBM50178779 OC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
BDBM50178780 Cc1ccc2n(C)c3C(CCCc3c2c1)C(N)=O
BDBM50178781 NC(=O)CNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
BDBM50178782 CC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1C(N)=O
BDBM50178783 NC(=O)C1CCCC2C1Nc1ccc(Cl)cc21
BDBM50178784 NC(=O)C1CCc2c(C1)[nH]c1ccc(Br)cc21
BDBM50178785 CCN(CC)C(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
BDBM50178786 Cc1ccc2[nH]c3c(CCCC3(C)C(N)=O)c2c1
BDBM50178787 NC(=O)C1CCc2c1[nH]c1ccc(Cl)cc21
BDBM50178788 ONC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
BDBM50178789 NC(=O)C1CCc2c(C1)[nH]c1ccc(Cl)cc21
BDBM50178766 NC(=O)C1CCCCc2c1[nH]c1ccc(Cl)cc21
BDBM50178767 NC(=O)C1CCCc2c1[nH]c1ccccc21
BDBM50178768 NC(=O)C1NCCc2c1[nH]c1ccc(Cl)cc21
BDBM50178769 NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
BDBM50178770 CCOC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
BDBM50178771 CCNC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21
BDBM50178772 NC(=O)C1CCCc2c1[nH]c1ccc(O)cc21
BDBM50178773 Cc1ccc2[nH]c3C(CCCc3c2c1)C(N)=O
BDBM50178774 NC(=O)C1CCc2c1[nH]c1ccccc21
BDBM50178775 NC(=O)[C@H]1CCCCc2c1[nH]c1ccc(Cl)cc21
BDBM50178776 NC(=O)[C@@H]1CCCCc2c1[nH]c1ccc(Cl)cc21
BDBM50187024 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O |wU:109.109,37.44,129.130,130.133,58.61,8.12,68.71,96.97,wD:47.55,136.137,4.4,64.65,120.121,103.105,74.80,16.24,87.93,28.33,(33.86,-22.63,;32.52,-21.86,;32.52,-20.32,;31.19,-19.55,;31.19,-18.01,;29.86,-17.24,;28.52,-18.01,;28.52,-19.55,;27.19,-17.24,;27.19,-15.7,;28.52,-14.93,;28.52,-13.39,;29.86,-15.7,;25.86,-18.01,;24.52,-17.24,;24.52,-15.7,;23.19,-18.01,;23.19,-19.55,;24.52,-20.32,;24.52,-21.86,;25.86,-22.63,;25.86,-24.17,;27.19,-24.94,;27.19,-26.48,;28.52,-24.17,;21.85,-17.24,;20.52,-16.47,;20.52,-14.93,;19.18,-17.24,;19.18,-18.78,;20.52,-19.55,;20.52,-21.09,;21.85,-21.86,;21.85,-23.4,;17.85,-16.47,;16.51,-17.24,;16.51,-18.78,;15.18,-16.47,;15.18,-14.93,;16.51,-14.16,;17.95,-14.71,;18.93,-13.52,;18.09,-12.22,;16.61,-12.61,;13.85,-17.24,;12.51,-16.47,;12.51,-14.93,;11.18,-17.24,;11.18,-18.78,;12.51,-19.55,;12.51,-21.09,;13.85,-21.86,;13.85,-23.4,;12.51,-24.17,;15.18,-24.17,;9.85,-16.47,;8.51,-17.24,;8.51,-18.78,;7.18,-16.47,;7.18,-14.93,;8.51,-14.16,;5.84,-17.24,;4.51,-16.47,;4.51,-14.93,;3.18,-17.24,;1.84,-16.47,;.51,-17.24,;.51,-18.78,;-.82,-16.47,;-.82,-14.93,;.51,-14.16,;-2.16,-17.24,;-3.49,-16.47,;-3.49,-14.93,;-4.82,-17.24,;-4.82,-18.78,;-3.49,-19.55,;-3.49,-21.09,;-4.82,-21.86,;-2.16,-21.86,;-6.16,-16.47,;-7.49,-17.24,;-7.49,-18.78,;-8.83,-16.47,;-10.16,-17.24,;-11.49,-16.47,;-11.49,-14.93,;-12.84,-17.24,;-12.84,-18.78,;-11.49,-19.55,;-11.49,-21.09,;-10.16,-21.86,;-10.16,-23.4,;-14.18,-16.47,;-15.49,-17.24,;-15.49,-18.78,;-16.83,-16.47,;-18.17,-17.24,;-16.83,-14.93,;-15.49,-14.16,;-15.49,-12.62,;-14.18,-11.85,;-14.18,-10.31,;3.18,-18.78,;1.84,-19.55,;4.51,-19.55,;32.52,-17.24,;32.52,-15.7,;33.86,-18.01,;35.19,-17.24,;35.19,-15.7,;36.52,-14.93,;37.86,-15.71,;39.19,-14.94,;39.19,-13.4,;37.85,-12.63,;36.52,-13.4,;36.52,-18.01,;36.52,-19.55,;37.86,-17.24,;39.19,-18.01,;39.19,-19.55,;40.53,-20.32,;40.53,-21.86,;41.86,-22.63,;41.86,-24.17,;40.53,-17.24,;40.53,-15.7,;41.86,-18.01,;43.19,-17.24,;43.19,-15.7,;41.86,-14.93,;44.53,-14.93,;44.53,-18.01,;44.53,-19.55,;45.86,-17.24,;47.19,-18.01,;47.19,-19.55,;48.53,-20.32,;48.53,-21.86,;47.2,-22.64,;49.86,-22.64,;48.53,-17.24,;48.53,-15.7,;49.86,-18.01,;51.2,-17.24,;52.53,-18.01,;52.54,-19.55,;53.87,-17.24,)|
BDBM50199445 Fc1ccc(COc2ccc(\C=C\C(=O)NC3(CCNCC3)C(=O)NCCc3c[nH]c4ccc(F)cc34)cc2)cc1
BDBM50216685 [O-][N+](=O)c1ccc(N2CCN(CC2)C(=O)c2ccc(Cl)cc2)c2cccnc12
BDBM50216686 Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
BDBM50216687 FC(F)(F)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
BDBM50216688 FC(F)(F)c1cccc(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
BDBM50216689 Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
BDBM50216690 Clc1cccc(-c2ccc(\C=C(/C#N)C(=O)Nc3cccc4cccnc34)o2)c1Cl
BDBM50216691 Clc1ccccc1-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1
BDBM50216692 Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3cccnc23)o1
BDBM50216693 Clc1cccc(-c2ccc(\C=C(/C#N)C(=O)Nc3cccc4ncccc34)o2)c1Cl
BDBM50228363 O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2n1
BDBM50228364 COc1cc(cc(OC)c1OC)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1
BDBM50241183 O=C(NC1(CCNCC1)C(=O)NCCc1c[nH]c2ccccc12)\C=C\c1ccc(OCc2ccccc2)cc1
BDBM50257236 C[C@@H](O)[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)C(O)=O |r|
BDBM50257237 CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(O)=O |r|
BDBM50257238 C[C@@H](O)[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H](N)CC(O)=O)C(O)=O |r|
BDBM50257239 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r|
BDBM50257404 C[C@@H](O)[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50257405 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)C(O)=O |r|
BDBM50257406 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r|
BDBM50257407 CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r|
BDBM50257408 CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50257285 CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(O)=O |r|
BDBM50257345 CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(O)=O |r|
BDBM50257346 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)C(O)=O |r|
BDBM50257347 CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)N)[C@@H](C)O)C(O)=O |r|
BDBM50257348 CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O |r|
BDBM50257349 CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)C(O)=O |r|
BDBM50257200 CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O |r|
BDBM50257286 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
BDBM50257287 CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H](N)CCCCN)C(O)=O |r|
BDBM50257288 CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(O)=O |r|
BDBM50257289 CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O |r|
BDBM50257290 CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)C(O)=O |r|
BDBM50257291 CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(O)=O |r|
BDBM50261974 CC(C)(C)c1ccc(cc1)-c1noc(n1)C(=O)NNC(=S)Nc1cccc(c1)C(F)(F)F
BDBM50261975 CC(C)(C)c1ccc(cc1)-c1noc(n1)C(=O)NNC(=S)Nc1ccc(cc1)C(F)(F)F
BDBM50261757 FC(F)(F)c1ccc(NC(=S)NNC(=O)c2nc(no2)-c2cccc3ccccc23)cc1
BDBM50262014 FC(F)(F)c1cccc(NC(=S)NNC(=O)c2nc(no2)-c2cccc3ccccc23)c1
BDBM50261821 CC(C)(C)OC(=O)Nc1cccc(c1)-c1noc(n1)C(=O)NNC(=S)Nc1ccc(cc1)C(F)(F)F
BDBM50297167 NC(=O)c1ccccc1Nc1cccc(CCO)c1
BDBM50297168 NC(=O)c1ccccc1Sc1ccccc1
BDBM50297161 NC(=O)c1ccccc1Nc1cccc(c1)-c1ccccc1
BDBM50297162 NC(=O)c1ccccc1Nc1cccc(Sc2ccccc2)c1
BDBM50297163 NC(=O)c1ccccc1Nc1cccc(Oc2ccccc2)c1
BDBM50297164 COC(=O)\C=C\c1cccc(Nc2ccccc2C(N)=O)c1
BDBM50297165 NC(=O)c1ccccc1Nc1cccc(\C=C\C(O)=O)c1
BDBM50297166 NC(=O)c1ccccc1Nc1cccc(CO)c1
BDBM50304357 CCc1ccc(OCCCC(O)Oc2ccc3c(c2)oc(=O)c2ccccc32)cc1
BDBM50303770 Oc1c(Br)cc(\C=C2/C(=O)Nc3c2ccc(Cl)c3Cl)cc1Br
BDBM50304354 OC(=O)CCN1Cc2ccccc2C1=O
BDBM50304355 Cc1cc(Cl)c(O)c(Cc2c(O)c(Cl)cc(Cl)c2Cl)c1Cl
BDBM50297159 NC(=O)c1ccccc1Nc1ccccc1
BDBM50297160 Cc1cccc(Nc2ccccc2C(N)=O)c1
BDBM50304351 COCC#CC1N(C)CCc2cc(OC)c(O)cc12
BDBM50304356 Cc1ccc2[nH]c3C(CCCCc3c2c1)C(N)=O
BDBM50300464 CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r|
BDBM50309827 CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50309828 CC(NS(=O)(=O)c1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50309829 CC(CSc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50309830 Clc1ccccc1C(=O)C1Cc2c(OC1=O)ccc1ccccc21
BDBM50309831 O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1-c1ccccc1
BDBM50309832 O=c1nc2oc3ccccc3cc2c(=O)[nH]1
BDBM50309833 NC(=O)[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r|
BDBM50326778 C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O)C(O)=O |r|
BDBM50326779 CC(C)CC(=S)NCCCC[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50326780 C[C@H](NC(=O)[C@H](CCCCNC(C)=[Se])NC(=O)[C@H](C)NC(C)=O)C(O)=O |r|
BDBM50326781 CC(=[Se])NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r|
BDBM50326782 [#6]-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O |r|
BDBM50326783 [#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O)-[#6](-[#8])=O |r|
BDBM50326784 CC(C)CC(=O)NCCCC[C@H](NC(=O)[C@H](C)NC(C)=O)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50326785 CNC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)C(C)(C)C)NC(=O)[C@H](C)NC(C)=O |r|
BDBM50326786 CNC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](C)NC(C)=O |r|
BDBM50326787 [#6]-[#8]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](-[#6])=O |r|
BDBM50326789 C[C@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](C)NC(C)=O)C(O)=O |r|
BDBM50326790 COC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](C)NC(C)=O |r|
BDBM50326791 COC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)C(C)(C)C)NC(=O)[C@H](C)NC(C)=O |r|
BDBM50326792 COC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CBr)NC(=O)[C@H](C)NC(C)=O |r|
BDBM50336799 Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
BDBM50337278 OC(=O)c1ccccc1Nc1ccccc1
BDBM50343897 Nc1ncnc2n([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c(nc12)-c1ccccc1 |r|
BDBM50346536 Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc2ccccc2c1
BDBM50346537 Oc1ccc2ccccc2c1Cc1c(CCc2ccccc2)[nH]c(=S)[nH]c1=O
BDBM50346539 O=C(C1Cc2c(OC1=O)ccc1ccccc21)c1ccccc1
BDBM50346543 Cc1ccc(cc1)C1CC(=O)Nc2ccc3cc(C)ccc3c12
BDBM50346544 OC(=O)c1ccc2[nH]c(=S)[nH]c2c1
BDBM50346545 COc1ccc2[nH]c(=S)[nH]c2n1
BDBM50346546 [NH3+]CCn1c2ccc(cc2[nH]c1=S)[N+]([O-])=O
BDBM50346548 Clc1ccc2[nH]c(=S)[nH]c2n1
BDBM50346551 O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1ccc(cc1)-c1ccccc1
BDBM50355038 CNC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O |r|
BDBM50355039 COC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(C)=O |r|
BDBM50355040 C[C@H](N)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](C)C(O)=O |r|
BDBM50355041 C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H]1CCCN1C(C)=O)C(O)=O |r|
BDBM50355042 COC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(C)=S)NC(C)=O |r|
BDBM50355043 C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(O)=O |r|
BDBM50355044 C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](N)Cc1ccccc1)C(O)=O |r|
BDBM50355045 C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc1ccccc1)C(O)=O |r|
BDBM50355046 C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)CCc1ccccc1)C(O)=O |r|
BDBM50355047 C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)CCc1ccccc1F)C(O)=O |r|
BDBM50355048 C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@@H]1CCCN(C1)C(=O)OC(C)(C)C)C(O)=O |r|
BDBM50355049 C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)CCc1ccccc1O)C(O)=O |r|
BDBM50355050 CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1 |r|
BDBM50355051 CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1F |r|
BDBM50355052 CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1O |r|
BDBM50355053 CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1 |r|
BDBM50358043 OC1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1
BDBM50350509 CC(=O)NCCC[C@H](NC(=O)[C@H](CCCCNC(N)=S)NC(=O)[C@H](CCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50350510 CC(=O)NCCC[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50350511 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCCC(N)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50363777 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1
BDBM50363778 COc1ccc(cc1)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
BDBM50363779 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1
BDBM50363780 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1
BDBM50363781 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(C)c2)cc1
BDBM50363782 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1
BDBM50363783 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(c(Br)c2)C(C)(C)C)cc1
BDBM50363784 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1
BDBM50363785 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2C)cc1
BDBM50363786 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1
BDBM50363788 CN(C)CCCCNC(=O)c1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
BDBM50363768 CN(C)CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1
BDBM50363772 CCCc1ccc(cc1)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
BDBM50363773 CC(C)c1ccc(cc1)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
BDBM50363774 CCCCc1ccc(cc1)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
BDBM50363775 CCCCCc1ccc(cc1)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
BDBM50363776 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1
BDBM50378583 CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O1 |r|
BDBM50376978 O[C@@H]1CCN(Cc2csc3nc(cn23)-c2ccccc2NC(=O)c2ccc3ccccc3c2)C1
BDBM50381098 CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C1=C(C2c2ccccc2OCc2ccccc2)C(=O)CC(C)(C)C1 |c:6,19|
BDBM50381099 CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C1=C(C2c2cccc(OCc3ccccc3)c2)C(=O)CC(C)(C)C1 |c:6,19|
BDBM50381100 CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C1=C(C2c2ccc(OCc3ccccc3)cc2)C(=O)CC(C)(C)C1 |c:6,19|
BDBM50381101 CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C1=C(C2c2ccccc2OCc2ccccc2)C(=O)CC(C)(C)C1 |c:6,25|
BDBM50381102 CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C1=C(C2c2ccc(OCc3ccccc3)cc2)C(=O)CC(C)(C)C1 |c:6,25|
BDBM50381103 CC1(C)CC(=O)C2=C(C1)N(NC(=O)c1ccccc1)C1=C(C2c2ccc(OCc3ccccc3)cc2)C(=O)CC(C)(C)C1 |c:6,21|
BDBM50381104 COc1ccc(C(=O)NN2C3=C(C(C4=C2CC(C)(C)CC4=O)c2ccc(OCc4ccccc4)cc2)C(=O)CC(C)(C)C3)c(OC)n1 |c:10,13|
BDBM50398332 Oc1ccc(Br)cc1\C=C1/Oc2ccccc2C1=O
BDBM50392106 NC(=O)c1ccccc1Nc1cccc(NC(=O)Cc2ccccc2)c1
BDBM50392107 CN(C(=O)Cc1ccccc1)c1cccc(Nc2ccccc2C(N)=O)c1
BDBM50392108 NC(=O)c1ccccc1Nc1cccc(OCC2CCCCC2)c1
BDBM50392109 CC(C)COc1cccc(Nc2ccccc2C(N)=O)c1
BDBM50392110 NC(=O)c1ccccc1Nc1cccc(OCc2ccccc2)c1
BDBM50392111 NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2)c1
BDBM50392112 NC(=O)c1ccccc1Nc1cccc(OCCCc2ccccc2)c1
BDBM50392113 Cc1ccccc1CCOc1cccc(Nc2ccccc2C(N)=O)c1
BDBM50392114 Cc1cccc(CCOc2cccc(Nc3ccccc3C(N)=O)c2)c1
BDBM50392115 Cc1ccc(CCOc2cccc(Nc3ccccc3C(N)=O)c2)cc1
BDBM50392116 NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2C(F)(F)F)c1
BDBM50392067 NC(=O)c1ccccc1Nc1cccc(CCC(O)=O)c1
BDBM50392093 CC(=O)Nc1ccc(Nc2ccccc2C(N)=O)cc1
BDBM50392094 CC(C)C(=O)Nc1ccc(Nc2ccccc2C(N)=O)cc1
BDBM50392095 NC(=O)c1ccccc1Nc1ccc(NC(=O)C2CCCCC2)cc1
BDBM50392096 NC(=O)c1ccccc1Nc1ccc(NC(=O)C2CCNCC2)cc1
BDBM50392097 NC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccn2)cc1
BDBM50392098 NC(=O)c1ccccc1Nc1ccc(NC(=O)c2cccnc2)cc1
BDBM50392099 NC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccncc2)cc1
BDBM50392100 NC(=O)c1ccccc1Nc1cccc(c1)C(=O)Nc1ccccc1
BDBM50392101 CN(C(=O)c1cccc(Nc2ccccc2C(N)=O)c1)c1ccccc1
BDBM50392102 NC(=O)c1ccccc1Nc1cccc(c1)C(=O)NCc1ccccc1
BDBM50392103 CN(Cc1ccccc1)C(=O)c1cccc(Nc2ccccc2C(N)=O)c1
BDBM50392104 NC(=O)c1ccccc1Nc1cccc(NC(=O)c2ccccc2)c1
BDBM50392105 CN(C(=O)c1ccccc1)c1cccc(Nc2ccccc2C(N)=O)c1
BDBM50392064 COC(=O)c1cccc(Nc2ccccc2C(N)=O)c1
BDBM50392065 NC(=O)c1ccccc1Nc1cccc(c1)C(O)=O
BDBM50392068 NC(=O)c1ccccc1Nc1ccc(Cl)cc1
BDBM50392069 Cc1ccc(Nc2ccccc2C(N)=O)cc1
BDBM50392072 NC(=O)c1ccccc1Nc1ccc(cc1)-c1ccccc1
BDBM50392073 COc1ccc(Nc2ccccc2C(N)=O)cc1
BDBM50392074 NC(=O)c1ccccc1Nc1ccc(OCc2ccccc2)cc1
BDBM50392076 COC(=O)c1ccc(Nc2ccccc2C(N)=O)cc1
BDBM50392079 NC(=O)c1ccccc1Nc1ccc(Oc2ccccc2)cc1
BDBM50392080 NC(=O)c1ccccc1Nc1ccc2ccccc2c1
BDBM50392082 CNC(=O)c1ccccc1Nc1ccccc1
BDBM50392083 CN(C)C(=O)c1ccccc1Nc1ccccc1
BDBM50392084 NC(=O)c1ccccc1Oc1ccccc1
BDBM50395320 CCCCC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 |r|
BDBM50392085 CN(c1ccccc1)c1ccccc1C(N)=O
BDBM50392086 NC(=O)c1ccccc1Nc1ccc(\C=C/c2ccccc2)cc1
BDBM50392087 NC(=O)c1ccccc1Nc1ccc(\C=C\c2ccccc2)cc1
BDBM50392088 NC(=O)c1ccccc1Nc1ccc(CCc2ccccc2)cc1
BDBM50392089 CN(C(=O)c1ccc(Nc2ccccc2C(N)=O)cc1)c1ccccc1
BDBM50392090 NC(=O)c1ccccc1Nc1ccc(cc1)C(=O)Nc1ccccc1
BDBM50392091 CN(C(=O)c1ccccc1)c1ccc(Nc2ccccc2C(N)=O)cc1
BDBM50392092 NC(=O)c1ccccc1Nc1ccc(NC(=O)c2ccccc2)cc1
BDBM50392052 NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(c2)C(F)(F)F)c1
BDBM50392053 NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(cc2)C(F)(F)F)c1
BDBM50392054 NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2F)c1
BDBM50392055 NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(F)c2)c1
BDBM50392056 NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(F)cc2)c1
BDBM50392057 NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2Cl)c1
BDBM50392058 NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(Cl)c2)c1
BDBM50392059 NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(Cl)cc2)c1
BDBM50392060 NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2Br)c1
BDBM50392061 NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(Br)c2)c1
BDBM50392062 NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(Br)cc2)c1
BDBM50397032 O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1Cc1ccccc1
BDBM50397033 O=c1nc2oc3ccc4ccccc4c3cc2c(=O)n1C1CCCCC1
BDBM50397034 CCCCn1c(=O)nc2oc3ccc4ccccc4c3cc2c1=O
BDBM50397035 C=CCn1c(=O)nc2oc3ccc4ccccc4c3cc2c1=O
BDBM50397036 CCCn1c(=O)nc2oc3ccc4ccccc4c3cc2c1=O
BDBM50397037 CCn1c(=O)nc2oc3ccc4ccccc4c3cc2c1=O
BDBM50397038 Cn1c(=O)nc2oc3ccc4ccccc4c3cc2c1=O
BDBM50397039 CCCCn1c(=O)nc2oc3ccccc3cc2c1=O
BDBM50397040 CCCn1c(=O)nc2oc3ccccc3cc2c1=O
BDBM50397041 CCn1c(=O)nc2oc3ccccc3cc2c1=O
BDBM50397042 Cn1c(=O)nc2oc3ccccc3cc2c1=O
BDBM50396046 O=C(Nc1ccc(CN2CCNCC2)cc1-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1
BDBM50396047 O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1
BDBM50396048 CN(C)c1cccc(c1)C(=O)Nc1ccccc1-c1nc2ncccc2o1
BDBM50396049 COc1ccc(cc1OC)C(=O)Nc1ccccc1-c1nc2ncccc2o1
BDBM50396050 CN(C)c1cccc(c1)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
BDBM50396051 COc1ccc(cc1OC)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1
BDBM50396052 O=C1N(CCNCCCNCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23
BDBM50396053 O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1cccc2ccccc12
BDBM50396054 Cc1ccc2[nH]c(=O)c(C=C3C(=O)NC(=S)NC3=O)cc2c1 |(7.63,2.39,;6.3,3.16,;6.3,4.7,;4.97,5.47,;3.63,4.7,;2.3,5.47,;.97,4.7,;-.37,5.47,;.97,3.16,;-.37,2.39,;-.37,.85,;-1.7,.08,;-3.04,.85,;-1.7,-1.46,;-.37,-2.23,;-.37,-3.77,;.97,-1.46,;.97,.08,;2.3,.85,;2.3,2.39,;3.63,3.16,;4.97,2.39,)|
BDBM50396055 CCOC(=O)CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r|
BDBM50400322 CC(NS(=O)(=O)c1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50400323 CC(CSc1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50400324 CC(CSc1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50400325 CC(CS(=O)c1ccccc1N=Cc1c(O)ccc2ccccc12)c1ccccc1 |w:11.11|
BDBM50400326 CC(CS(=O)c1cccc(c1)N=Cc1c(O)ccc2ccccc12)c1ccccc1 |w:11.11|
BDBM50400327 CC(CS(=O)c1ccc(cc1)N=Cc1c(O)ccc2ccccc12)c1ccccc1 |w:11.11|
BDBM50400328 CC(CS(=O)(=O)c1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50400329 CC(C(=O)Nc1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50400723 [#6]-[#8]-c1ccc2c(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)cccc2c1
BDBM50400727 [#6]-[#6](-[#6])-c1ccc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)cc1
BDBM50400728 CCN1C(=S)NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O
BDBM50400729 O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1ccc(-[#8]-[#6]-c2ccccc2)cc1
BDBM50400730 [#6]-[#8]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)ccc1-[#8]-[#6]-c1ccccc1Cl
BDBM50400731 Clc1cccc(-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)o2)c1Cl
BDBM50400732 Brc1ccc(-[#6]-[#8]-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)cc2)cc1
BDBM50400733 Clc1cccc(-c2ccc(\C=C3/C(=O)NC(=S)N(CC=C)C3=O)o2)c1Cl
BDBM50400734 Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |w:18.19,t:4|
BDBM50400735 CN1C(=S)NC(=O)\C(=C/c2c[nH]c3ccccc23)C1=O
BDBM50400736 C=CCN1C(=S)NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O
BDBM50400737 CCN1C(=S)NC(=O)\C(=C/c2c[nH]c3ccccc23)C1=O
BDBM50400320 CC(CS(=O)(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50400321 CC(C(=O)Nc1ccc(cc1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1
BDBM50400724 O=C1NC(=S)NC(=O)C1=Cc1c[nH]c2ccccc12 |(.91,-.4,;.44,-1.87,;-1.07,-2.19,;-1.55,-3.65,;-3.05,-3.97,;-.51,-4.8,;.99,-4.48,;2.02,-5.62,;1.47,-3.01,;2.97,-2.69,;3.45,-1.23,;2.54,.02,;3.45,1.26,;4.91,.79,;6.25,1.56,;7.58,.79,;7.58,-.75,;6.25,-1.52,;4.91,-.75,)|
BDBM50400725 CN1C(=S)NC(=O)\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O
BDBM50400726 O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1cn(-[#6]-c2ccccc2)c2ccccc12
BDBM50405320 CC(C)(C)c1ccc(cc1)C(O)=O
BDBM50403018 CC[C@@H]1CC(=O)[C@@H]2[C@@H](O)C(C)=CC[C@H]2[C@]1(C)C(=O)c1c(O)c[nH]c1O |r,c:10|
BDBM50425971 Oc1ccc(O)c(c1)C(=O)c1coc2ccc(O)cc12
BDBM50425974 Oc1cccc(c1)C(=O)c1coc2ccc(O)cc12
BDBM50425975 Oc1ccc2occ(C(=O)c3ccccc3O)c2c1
BDBM50425980 Cc1cc2occ(C(=O)c3ccc(Cl)cc3)c2cc1O
BDBM50425984 Oc1c(Br)cc2occ(C(=O)c3ccccc3)c2c1Br
BDBM50425987 Cc1oc2ccc(O)cc2c1C(=O)c1ccc(Br)cc1
BDBM50425824 NC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r|
BDBM50425972 COc1ccc(O)cc1C(=O)c1coc2ccc(O)cc12
BDBM50425973 COc1ccc(O)c(c1)C(=O)c1coc2ccc(O)cc12
BDBM50425976 COc1cc2c(C(=O)c3ccc(Br)cc3)c(C)oc2c2ccccc12
BDBM50425977 COc1ccc(cc1)C(=O)c1coc2c1cc(O)c1ccccc21
BDBM50425978 Oc1cc2c(coc2c2ccccc12)C(=O)c1ccc(Br)cc1
BDBM50425979 Cc1ccc(cc1)C(=O)c1coc2c1cc(O)c1ccccc21
BDBM50425981 Oc1cc2c(coc2c2ccccc12)C(=O)c1ccccc1
BDBM50425982 COc1ccc(OC)c(c1)C(=O)c1coc2cc(Br)c(O)c(Br)c12
BDBM50425983 Oc1c(Br)cc2occ(C(=O)c3ccc(OCc4ccccc4)cc3)c2c1Br
BDBM50425986 Oc1ccc2occ(C(=O)c3ccccc3)c2c1CN1CCOCC1
BDBM50431110 NC(=O)c1cc2ncnc(Cl)c2s1
BDBM50431111 CCNc1ncnc2cc(sc12)C(N)=O
BDBM50431112 NC(=O)c1cc2ncnc(N3CCCCC3)c2s1
BDBM50431113 NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431114 CC(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431115 CC(C)(C)OC(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431116 NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4cccs4)CC3)c2s1
BDBM50431117 NC(=O)c1cc2ncnc(N3CCC(CCNC(=O)c4ccc(s4)C(O)=O)CC3)c2s1
BDBM50431118 CC(C)(C)OC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431119 CCNC(=O)c1ccc(s1)C(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431120 CCNC(=O)c1cccc(c1)C(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431121 CCNC(=O)c1cccc(c1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431089 NC(=O)c1cc2ncnc(N3CCN(CCN4CCCC4)CC3)c2s1
BDBM50431090 NC(=O)c1cc2ncnc(N3CCC(CCN4CCCC4)CC3)c2s1
BDBM50431091 NC(=O)c1cc2ncnc(N3CCC(CN4CCCC4)CC3)c2s1
BDBM50431092 CS(=O)(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431093 CS(=O)(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431094 CC(C)(C)C(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431095 CC(C)(C)C(=O)NCCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431096 CC(C)(C)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431097 CCNC(=O)c1ccc(s1)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431098 CC(C)(C)C(=O)NCCC1CCN(CC1)c1ncnc2ccsc12
BDBM50431099 CNC(=O)c1cc2ncnc(N3CCC(CCNC(=O)C(C)(C)C)CC3)c2s1
BDBM50431100 CC(C)(C)C(=O)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(O)=O
BDBM50431101 Cc1c(sc2c(ncnc12)N1CCC(CCNC(=O)C(C)(C)C)CC1)C(N)=O
BDBM50431102 CC(C)(C)C(=O)NCCC1CCN(CC1)c1nccc2cc(sc12)C(N)=O
BDBM50431103 CC(C)(C)C(=O)NCCC1CCN(CC1)c1ccnc2cc(sc12)C(N)=O
BDBM50431104 CC(C)(C)C(=O)NCCC1CCN(CC1)c1ncnc2cc(oc12)C(N)=O
BDBM50431105 CC(C)(C)C(=O)NCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431106 CC(=S)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431107 CC(=S)NCCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431108 CC(=O)NCCN1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50431109 CC(=O)NCC1CCN(CC1)c1ncnc2cc(sc12)C(N)=O
BDBM50428977 O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccc2occc2c1
BDBM50428978 O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cc2ccccc2o1
BDBM50428979 O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cccc2cccnc12
BDBM50428980 O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2c1
BDBM50428981 O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccc2ccccc2n1
BDBM50428982 O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccncn1
BDBM50428983 O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1ccccc1
BDBM50428984 COc1ccc(C(=O)Nc2ccccc2-c2cn3c(CN4CCNCC4)csc3n2)c(OC)c1
BDBM50428985 COc1cccc(c1)C(=O)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1
BDBM50428986 O=C(Cc1ccccc1)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1
BDBM50428987 O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)C1CCCC1
BDBM50428988 Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)-c2ccccc2)c(O)c1Br
BDBM50428989 Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)-c2ccco2)c(O)c1Br
BDBM50428990 COc1ccc2cc(ccc2c1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
BDBM50428991 Oc1c(Br)cc(\C=N\NC(=O)c2ccc3cc(ccc3c2)C#N)c(O)c1Br
BDBM50428992 CS(=O)(=O)c1ccc2cc(ccc2c1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
BDBM50428993 COc1c(Br)c(O)c(Br)cc1\C=N\NC(=O)c1ccc2cc(Br)ccc2c1
BDBM50428994 Oc1c(Br)cc(\C=N\NC(=O)c2ccc3ncccc3c2)c(O)c1Br
BDBM50428995 Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)C(F)(F)F)c(O)c1Br
BDBM50428996 Cc1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O
BDBM50428997 Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccccn2)c(O)c1Br
BDBM50428998 Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2cccnc2)c(O)c1Br
BDBM50428999 Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccncc2)c(O)c1Br
BDBM50429000 Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccco2)c(O)c1Br
BDBM50429001 COc1c(Br)c(O)c(Br)cc1\C=N\NC(=O)c1ccc(cc1)-c1ccccc1
BDBM50429002 COc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccccc2)c(O)c1Br
BDBM50429003 Oc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2ccccc2)c(O)c1
BDBM50429004 Oc1c(Br)cc(\C=N\NC(=O)c2cccc(c2)-c2ccccc2)c(O)c1Br
BDBM50429005 Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccc3OCOc3c2)c(O)c1Br
BDBM50429006 Oc1ccc(cc1-c1ccc(cc1)C(=O)N\N=C\c1cc(Br)c(O)c(Br)c1O)C#N
BDBM50429007 Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccccc2C(F)(F)F)c(O)c1Br
BDBM50445821 CCOC(=O)c1ccc2n(CCO)c(nc2c1)-c1ccc2OCOc2c1
BDBM50445822 CCOC(=O)c1ccc2n(CCO)c(nc2c1)-c1ccc(cc1)N1CCCCC1
BDBM50445823 CCOC(=O)c1ccc2n(CCO)c(nc2c1)-c1ccc(cc1)N(C)C
BDBM50439467 COc1ccc2[nH]cc(CCNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc3ccccc3)c2c1 |r|
BDBM50439468 COc1ccc(cc1)C(=O)CNC(=O)[C@H](CCCCNC(C)=S)NC(=O)OCc1ccccc1 |r|
BDBM50439469 CC(=S)NCCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1 |r|
BDBM50008859 Brc1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)c1
BDBM50017342 OC(=O)c1cc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)ccc1O
BDBM131030 Oc1cc(O)c2cc(oc2c1)-c1cc(O)c(O)c(O)c1
BDBM131031 Oc1cc(O)c2cc(oc2c1)-c1cc(F)cc(F)c1
BDBM131032 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c12
BDBM131033 Oc1cc(O)c2c(coc2c1)-c1cc(F)cc(F)c1
BDBM131034 Oc1cc(O)c2c(coc2c1)-c1ccc(F)cc1
BDBM131035 Oc1cc(O)c2c(c(Br)oc2c1)-c1cc(F)cc(F)c1
BDBM50017344 OC(=O)c1ccc(cc1)N1C(=O)CC(SC(=N)Nc2ccccc2)C1=O
BDBM50021512 CCOC(=O)c1ccc2n(CCCN3CCCC3=O)c(nc2c1)-c1ccc(cc1)N(C)C
BDBM50021513 CCOC(=O)c1ccc2n(c(nc2c1)-c1ccc(cc1)N(C)C)-c1ccccc1
BDBM50021528 CCOC(=O)c1ccc2n(c(nc2c1)-c1ccc(C)cc1)-c1ccccc1
BDBM50017341 O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(Oc2cccnc2)cc1
BDBM50017343 O=C(NCc1nc(n[nH]1)-c1cccnc1)c1cnccn1
BDBM50044785 C1Oc2ccc(cc2O1)-c1nn2c(nnc2s1)-c1ccco1
BDBM50044787 C=CCOc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
BDBM50044788 C=CCOc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccco1
BDBM50044789 CCOc1cc(cc(OCC)c1OCC)-c1nn2c(nnc2s1)-c1ccco1
BDBM50044790 CCOc1ccccc1-c1nn2c(nnc2s1)-c1ccco1
BDBM50044792 COc1cc(cc(OC)c1OC)-c1nn2c(nnc2s1)-c1ccco1
BDBM50044793 COc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
BDBM50044795 Cc1cccc(c1)-c1nn2c(nnc2s1)-c1ccco1
BDBM50044796 Cc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccco1
BDBM50044797 c1coc(c1)-c1nnc2sc(nn12)-c1cccs1
BDBM50044798 c1coc(c1)-c1nnc2sc(nn12)-c1cnccn1
BDBM50044799 COc1ccc(OCc2nn3c(nnc3s2)-c2ccco2)cc1
BDBM50044801 Cc1ccccc1OCc1nn2c(nnc2s1)-c1ccco1
BDBM50044802 Cc1cccc(OCc2nn3c(nnc3s2)-c2ccco2)c1
BDBM50044804 CCC(Oc1ccccc1)c1nn2c(nnc2s1)-c1ccco1
BDBM50044805 CC(Oc1ccccc1)c1nn2c(nnc2s1)-c1ccco1
BDBM50044806 C(Oc1ccccc1)c1nn2c(nnc2s1)-c1ccco1
BDBM50044808 C(c1nn2c(nnc2s1)-c1ccco1)c1ccc2OCCOc2c1
BDBM50044809 COc1ccc(Cc2nn3c(nnc3s2)-c2ccco2)cc1OC
BDBM50044812 CCC(c1nn2c(nnc2s1)-c1ccco1)c1ccccc1
BDBM50044813 C(c1nn2c(nnc2s1)-c1ccco1)c1ccccc1
BDBM50044815 C1COc2cc(ccc2O1)-c1nn2c(nnc2s1)-c1ccco1
BDBM50044816 c1coc(c1)-c1nnc2sc(nn12)-c1ccccn1
BDBM50044817 c1coc(c1)-c1nnc2sc(nn12)-c1cccnc1
BDBM50044818 c1coc(c1)-c1nnc2sc(nn12)-c1ccncc1
BDBM50044819 c1coc(c1)-c1nnc2sc(nn12)-c1ccccc1
BDBM50044820 C(Cc1nn2c(nnc2s1)-c1ccco1)Cc1ccccc1
BDBM50044822 COc1ccccc1OCc1nn2c(nnc2s1)-c1ccco1
BDBM50044823 COc1cccc(OCc2nn3c(nnc3s2)-c2ccco2)c1
BDBM50030100 NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1
BDBM50030103 NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4cccc(c4)[N+]([O-])=O)cccc23)c1
BDBM50030104 Cc1ccc(cc1)C(=O)Nc1cccc2c(Oc3cncc(c3)C(N)=O)cccc12
BDBM50030105 Cc1ccc(cc1)C(=O)Nc1cccc2cc(Oc3cncc(c3)C(N)=O)ccc12
BDBM50030107 Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc2c(Oc3cncc(c3)C(N)=O)cccc12
BDBM50030108 NC(=O)c1cncc(Oc2ccc3c(NC(=O)c4ccccc4)cccc3c2)c1
BDBM50030109 Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc2cc(Oc3cncc(c3)C(N)=O)ccc12
BDBM50030110 NC(=O)c1cncc(Nc2cccc3ccccc23)c1
BDBM50030149 NC(=O)c1cncc(Sc2cccc3ccccc23)c1
BDBM50030151 NC(=O)c1cncc(Nc2ccc3ccccc3c2)c1
BDBM50030169 NC(=O)c1cncc(Oc2ccc3ccccc3c2)c1
BDBM50041529 Brc1ccncc1NC(=O)c1cccc(c1)-c1ccc2ccccc2c1
BDBM50070581 CCCCCCCCn1c2CCN(Cc3ccccc3)Cc2c2cc(ccc12)-c1cccc(C)c1
BDBM50070582 CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1cccc(C)c1
BDBM50070583 CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cccc(C)c1)C(C)C
BDBM50070584 CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cccc(C)c1)C(N)=O
BDBM50070589 CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
BDBM50070591 CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1cnc(N)nc1
BDBM50070592 CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cnc(N)nc1)C(N)=O
BDBM50070593 CCCCCCCCn1c2CCN(C)Cc2c2cc(ccc12)-c1cnc(N)nc1
BDBM50070594 CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1cnc(N)nc1)C(C)C
BDBM50088292 NC(=O)C1CCCCc2c1[nH]nc2-c1ccc(Cl)cc1
BDBM50088294 NC(=O)C1CCCc2c1[nH]nc2-c1nc2ccccc2s1
BDBM50088296 NC(=O)C1CCCc2c1[nH]nc2-c1cc2ccccc2s1
BDBM50088298 NC(=O)C1CCCc2c1[nH]nc2-c1cc(Br)cs1
BDBM50088300 NC(=O)C1CCCc2c1[nH]nc2-c1ccc(Br)cc1
BDBM50070580 CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1cccc(C)c1
BDBM50070588 CCCCCCCCn1c2CCNCc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O
BDBM50070590 CCCCCCCCn1c2CCN(Cc2c2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
BDBM50044786 c1coc(c1)-c1nnc2sc(nn12)-c1cc2ccccc2o1
BDBM50044791 CCOc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccco1
BDBM50044794 COc1ccc(cc1)-c1nn2c(nnc2s1)-c1ccco1
BDBM50044800 Cc1ccc(OCc2nn3c(nnc3s2)-c2ccco2)cc1C
BDBM50044803 Cc1ccc(OCc2nn3c(nnc3s2)-c2ccco2)cc1
BDBM50044807 C(Cc1ccccc1)c1nn2c(nnc2s1)-c1ccco1
BDBM50044810 COc1ccc(Cc2nn3c(nnc3s2)-c2ccco2)cc1
BDBM50044811 Clc1ccc(Cc2nn3c(nnc3s2)-c2ccco2)cc1
BDBM50044814 C1Oc2ccccc2OC1c1nn2c(nnc2s1)-c1ccco1
BDBM50044821 CCOc1ccccc1OCc1nn2c(nnc2s1)-c1ccco1
BDBM50030101 NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4cccnc4)cccc23)c1
BDBM50030102 NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccncc4)cccc23)c1
BDBM50030106 NC(=O)c1cncc(Oc2ccc3c(NC(=O)c4cccc(c4)[N+]([O-])=O)cccc3c2)c1
BDBM50030111 NC(=O)c1cncc(Oc2cccc3ccccc23)c1
BDBM50030172 NC(=O)c1cncc(Sc2ccc3ccccc3c2)c1
BDBM50088291 CC1(C)CC(C(N)=O)c2[nH]nc(c2C1)-c1ccc(Cl)cc1
BDBM50088293 Cn1c(cc2ccccc12)-c1n[nH]c2C(CCCc12)C(N)=O
BDBM50088295 NC(=O)C1CCCc2c1[nH]nc2-c1cc2ccccc2o1
BDBM50088297 NC(=O)C1CCCc2c1[nH]nc2-c1ccc(Cl)c(Cl)c1
BDBM50088299 Cc1ccc(cc1)-c1n[nH]c2C(CCCc12)C(N)=O
BDBM50088331 NC(=O)C1CCCc2c1[nH]nc2-c1ccc(Cl)c(F)c1
BDBM50088342 NC(=O)C1CCCc2c1[nH]nc2-c1ccc(Cl)cc1
BDBM50123357 O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1ccc(Cn2ccnc2)cc1
BDBM50123364 O=c1[nH]c2ccc(cc2c(=O)[nH]1)S(=O)(=O)Nc1cccc(CCc2ccncc2)c1
BDBM50106871 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=S)NCCC(O)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50123399 Cn1c2ccc(cc2c(=O)n(C)c1=O)S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1
BDBM235914 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cc(F)c(F)c(F)c2)cc1
BDBM235915 COc1c(Cl)cc(cc1Cl)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
BDBM235916 COc1c(Br)cc(cc1Br)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
BDBM235917 CCCCOc1c(Cl)cc(cc1Cl)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
BDBM235918 CCOc1c(Cl)cc(cc1Cl)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
BDBM50151928 CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(N)=O |r|
BDBM50152072 CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r|
BDBM234205 CC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1
BDBM50152067 CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCCCCCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r|
BDBM50152028 CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCCCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r|
BDBM50152081 CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCCCCCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r|
BDBM234206 CCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1
BDBM234207 CCCCCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1
BDBM234208 CCCCCCCCCCCCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1
BDBM50152068 CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r|
BDBM227595 NC(=O)c1ccc2NC(C3C4CCC(C4)C3c2c1)c1ccccc1
BDBM227596 O=C(NCc1cccnc1)c1ccc2NC(C3C4CCC(C4)C3c2c1)c1ccccc1
BDBM235912 CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C)c(Br)c2)cc1
BDBM235913 COc1ccc(cc1C(F)(F)F)C(=O)NC(=S)Nc1ccc(NC(=O)CCCCN(C)C)cc1
BDBM50094920 Cn1c(COCc2ccc(cc2)C(F)(F)F)c(\C=C2\C(=O)ON=C2C(F)(F)F)c2cc(F)ccc12 |c:23|
BDBM50094921 CC1=NOC(=O)\C1=C\c1c(COCc2ccc(cc2)C(F)(F)F)n(C)c2ccc(F)cc12 |t:1|
BDBM50135227 CNCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC)c2occc12
BDBM50148776 Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3)s2)n1
BDBM50148781 Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1
BDBM50148827 COc1ccc2ccccc2c1Cn1cnc2sc3CC(CCc3c2c1=O)NCc1cccnc1
BDBM50106796 CNC(=S)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O |r|
BDBM50106870 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(N)=S)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50106872 CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCNC(=S)Nc1ccccc1)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O |r|
BDBM50106873 CC(C)NC(=S)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O |r|
BDBM50106874 CCNC(=S)NCCCC[C@H](NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=O)C(N)=O |r|
BDBM50151929 CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r|
BDBM50152093 [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC1=O)C(N)=O)[C@@H](C)CC |r|
BDBM50148828 Clc1ccc(Cl)c(c1)-c1ccc(\C=C(\C#N)C(=O)Nc2cccc3ncccc23)o1
BDBM50168488 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-n3cnnc3)c2)c1
BDBM50168837 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccccc3)c2)c1
BDBM50168491 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-n3cccc3)c2)c1
BDBM50168492 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3nccs3)c2)c1
BDBM50168505 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(F)c(F)c3)c2)c1
BDBM50168487 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccccn3)c2)c1
BDBM50168490 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-n3cccn3)c2)c1
BDBM50168493 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3cccs3)c2)c1
BDBM50168494 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccccc3)c2)c1
BDBM50168495 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)C3CCCCC3)c2)c1
BDBM50168496 CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168497 CC(C)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168501 CCc1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168647 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(F)cc3F)c2)c1
BDBM50168659 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(F)cc3)c2)c1
BDBM50168728 NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccc(F)c3)c2)c1
BDBM50168729 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccccc3F)c2)c1
BDBM50168489 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-n3ccnc3)c2)c1
BDBM50168730 Cc1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168827 NC(=O)c1cncc(OCc2cccc(NC(=O)c3nc4ccccc4s3)c2)c1
BDBM50168828 NC(=O)c1cncc(OCc2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)c1
BDBM50168829 NC(=O)c1cncc(OCc2cccc(NC(=O)c3cc4ccccc4o3)c2)c1
BDBM50168830 NC(=O)c1cncc(OCc2cccc(NC(=O)c3cc4ccccc4s3)c2)c1
BDBM50168831 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4ccccc4c3)c2)c1
BDBM50168832 NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccc4ccccc34)c2)c1
BDBM50168840 NC(=O)c1cncc(OCc2cccc(NC(=O)C3CCCCC3)c2)c1
BDBM50168844 COC(=O)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168833 NC(=O)c1cncc(OCc2cccc(NC(=O)\C=C\c3ccccc3)c2)c1
BDBM50168834 NC(=O)c1cncc(OCc2cccc(NC(=O)CCc3ccccc3)c2)c1
BDBM50168835 NC(=O)c1cncc(OCc2cccc(NC(=O)Cc3ccccc3)c2)c1
BDBM50168839 NC(=O)c1cncc(OCc2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1 |TLB:25:20:27:24.26.23,25:24:27:19.20.21,THB:23:22:19:25.24.26,23:24:19:27.21.22|
BDBM50168843 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)C#C)c2)c1
BDBM50168845 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)C(O)=O)c2)c1
BDBM50168846 NC(=O)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168847 CNC(=O)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168848 CN(C)C(=O)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168849 CC(=O)Nc1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168850 CC(=O)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168851 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(Oc4ccccc4)cc3)c2)c1
BDBM50168871 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(OCc4ccccc4)cc3)c2)c1
BDBM50168872 CNc1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168900 CCNc1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168901 CN(C)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168902 CCN(CC)c1ccc(cc1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168903 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)N3CCCC3)c2)c1
BDBM50168904 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)N3CCCCC3)c2)c1
BDBM50168905 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)N3CCOCC3)c2)c1
BDBM50168906 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)N3CCNCC3)c2)c1
BDBM50168913 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccccn3)c2)c1
BDBM50168918 NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccnc3)c2)c1
BDBM50168921 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccncc3)c2)c1
BDBM50168922 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccncn3)c2)c1
BDBM50168923 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccnnc3)c2)c1
BDBM50168929 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-c3ccccc3)c2)c1
BDBM50168930 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-c3cccs3)c2)c1
BDBM50168931 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-c3ccco3)c2)c1
BDBM50168932 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-n3cccc3)c2)c1
BDBM50168935 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(c(F)c3)-c3cccnc3)c2)c1
BDBM50168936 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(c(F)c3)-c3ccncc3)c2)c1
BDBM50168731 Cc1cccc(c1)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168486 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3cccnc3)c2)c1
BDBM50168732 Cc1ccccc1C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168735 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4cn[nH]c4c3)c2)c1
BDBM50168736 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4cc[nH]c4c3)c2)c1
BDBM50168813 NC(=O)c1cncc(OCc2cccc(NC(=O)c3c[nH]c4ccccc34)c2)c1
BDBM50168933 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(nc3)-n3cccn3)c2)c1
BDBM50168934 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(c(F)c3)-c3ccccc3)c2)c1
BDBM50168841 CC(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168838 NC(=O)c1cncc(OCc2cccc(NC(=O)C3=CCCCC3)c2)c1 |t:18|
BDBM50168842 Cc1ccc(cc1[N+]([O-])=O)C(=O)Nc1cccc(COc2cncc(c2)C(N)=O)c1
BDBM50168826 NC(=O)c1cncc(OCc2cccc(NC(=O)c3csc4ccccc34)c2)c1
BDBM50168485 NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc(cc3)-c3ccncc3)c2)c1
BDBM50168836 NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccs3)c2)c1
BDBM50168925 NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccnn3)c2)c1
BDBM50168926 NC(=O)c1cncc(OCc2cccc(NC(=O)\C=C\c3ccccn3)c2)c1
BDBM50168924 NC(=O)c1cncc(OCc2cccc(NC(=O)c3cnccn3)c2)c1
BDBM50168927 NC(=O)c1cncc(OCc2cccc(NC(=O)\C=C\c3cccnc3)c2)c1
BDBM50168928 NC(=O)c1cncc(OCc2cccc(NC(=O)\C=C\c3ccncc3)c2)c1