SMILES for Vitamin D3 receptor

875 SMILES Strings for Vitamin D3 receptor

Compound Name

SMILES String

BDBM36718

CC(C)(C)C(=O)COc1ccc(cc1Cl)C(C)(C)c1ccc(OCC(=O)C(C)(C)C)c(Cl)c1

BDBM36719

Cc1cc(ccc1OCC(=O)C(C)(C)C)C1(CCCCC1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM36720

CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM36721

CCC(CC)(c1ccc(OCC2CO2)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM36722

CCC(CC)(c1ccc(OCC(O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM36717

CC(CCCC(C)(C)O)C1CCC2CC(CCC12C)\C=C\C=C1\C[C@@H](C)C[C@H](C)C1=C |r|

BDBM93061

[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#8])-[#6]1-[#6]-[#6]-[#6]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM93072

[#6]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#8])-[#6]1-[#6]-[#6]-[#6]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM93063

[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#6])-[#6]1-[#6]-[#6]-[#6]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM93064

[#6]-[#6]-[#6]-[#6]-[#6@H](-[#6])-[#6]1-[#6]-[#6]-[#6]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM93065

C[C@H](CCCCO)C1CCC2C(CCC[C@]12C)=CC=C1C[C@@H](O)C(C)[C@H](O)C1 |r,wU:23.25,25.27,15.17,wD:21.23,1.0,@@:23,(-.69,7.62,;.08,6.29,;1.59,6.61,;2.62,5.46,;4.13,5.78,;5.16,4.64,;6.66,4.96,;-.39,4.82,;.51,3.58,;-.39,2.33,;-1.86,2.81,;-3.19,2.04,;-4.52,2.81,;-4.52,4.35,;-3.19,5.12,;-1.86,4.35,;-1.86,5.89,;-3.19,.5,;-4.52,-.27,;-4.52,-1.81,;-5.86,-2.58,;-5.86,-4.13,;-7.19,-4.9,;-4.52,-4.9,;-4.52,-6.44,;-3.19,-4.13,;-1.86,-4.9,;-3.19,-2.58,)|

BDBM93062

C[C@@H](CCCCO)C1CCC2C(CCC[C@]12C)=CC=C1C[C@@H](O)C(C)[C@H](O)C1 |r,wU:23.25,25.27,15.17,1.0,wD:21.23,@@:23,(-.69,7.62,;.08,6.29,;1.59,6.61,;2.62,5.46,;4.13,5.78,;5.16,4.64,;6.66,4.96,;-.39,4.82,;.51,3.58,;-.39,2.33,;-1.86,2.81,;-3.19,2.04,;-4.52,2.81,;-4.52,4.35,;-3.19,5.12,;-1.86,4.35,;-1.86,5.89,;-3.19,.5,;-4.52,-.27,;-4.52,-1.81,;-5.86,-2.58,;-5.86,-4.13,;-7.19,-4.9,;-4.52,-4.9,;-4.52,-6.44,;-3.19,-4.13,;-1.86,-4.9,;-3.19,-2.58,)|

BDBM93066

CCCC[C@@H](C)C1CCC2C(CCC[C@]12C)=CC=C1C[C@@H](O)C(C)[C@H](O)C1 |r,wU:22.24,24.26,14.16,wD:20.22,4.4,@@:22,(5.16,4.64,;4.13,5.78,;2.62,5.46,;1.59,6.61,;.08,6.29,;-.69,7.62,;-.39,4.82,;.51,3.58,;-.39,2.33,;-1.86,2.81,;-3.19,2.04,;-4.52,2.81,;-4.52,4.35,;-3.19,5.12,;-1.86,4.35,;-1.86,5.89,;-3.19,.5,;-4.52,-.27,;-4.52,-1.81,;-5.86,-2.58,;-5.86,-4.13,;-7.19,-4.9,;-4.52,-4.9,;-4.52,-6.44,;-3.19,-4.13,;-1.86,-4.9,;-3.19,-2.58,)|

BDBM93067

CCCC[C@H](C)C1CCC2C(CCC[C@]12C)=CC=C1C[C@@H](O)C(C)[C@H](O)C1 |r,wU:22.24,24.26,14.16,4.4,wD:20.22,@@:22,(5.16,4.64,;4.13,5.78,;2.62,5.46,;1.59,6.61,;.08,6.29,;-.69,7.62,;-.39,4.82,;.51,3.58,;-.39,2.33,;-1.86,2.81,;-3.19,2.04,;-4.52,2.81,;-4.52,4.35,;-3.19,5.12,;-1.86,4.35,;-1.86,5.89,;-3.19,.5,;-4.52,-.27,;-4.52,-1.81,;-5.86,-2.58,;-5.86,-4.13,;-7.19,-4.9,;-4.52,-4.9,;-4.52,-6.44,;-3.19,-4.13,;-1.86,-4.9,;-3.19,-2.58,)|

BDBM50207145

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1 |r,wU:3.2,wD:6.6,(13.36,-22.55,;12.59,-21.22,;13.36,-19.89,;14.89,-19.89,;15.67,-18.56,;17.21,-18.56,;17.97,-19.89,;19.51,-19.89,;20.29,-18.56,;21.83,-18.56,;22.59,-17.22,;24.13,-17.22,;24.9,-18.56,;24.13,-19.89,;22.59,-19.89,;26.44,-18.56,;27.34,-19.8,;28.81,-19.32,;28.81,-17.78,;29.95,-16.75,;29.63,-15.25,;28.16,-14.78,;27.02,-15.81,;27.34,-17.31,;17.21,-21.22,;15.67,-21.22,;11.05,-21.22,;10.15,-19.97,;8.68,-20.45,;8.68,-21.98,;10.15,-22.46,)|

BDBM50207094

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1 |r,wU:3.2,wD:6.6,(15.49,-22.15,;14.77,-20.77,;15.54,-19.44,;17.08,-19.44,;17.84,-18.11,;19.39,-18.11,;20.15,-19.44,;21.69,-19.44,;22.46,-18.11,;23.99,-18.11,;24.76,-19.44,;26.3,-19.44,;27.06,-18.11,;26.3,-16.77,;24.76,-16.77,;28.61,-18.11,;29.53,-19.33,;31.01,-18.87,;31.01,-17.34,;32.14,-16.31,;31.83,-14.78,;30.34,-14.31,;29.22,-15.34,;29.53,-16.88,;19.39,-20.77,;17.84,-20.77,;13.24,-20.67,;12.42,-19.38,;10.93,-19.79,;10.88,-21.34,;12.32,-21.9,)|

BDBM50207156

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc[nH]1 |r,wU:3.2,wD:6.6,(22.96,-24.14,;22.24,-22.76,;23.01,-21.42,;24.55,-21.42,;25.32,-20.09,;26.86,-20.09,;27.63,-21.42,;29.17,-21.42,;29.94,-20.09,;31.48,-20.09,;32.25,-21.42,;33.79,-21.42,;34.56,-20.09,;33.79,-18.75,;32.25,-18.75,;36.1,-20.09,;37.02,-21.32,;38.46,-20.86,;38.46,-19.32,;39.65,-18.3,;39.29,-16.8,;37.85,-16.29,;36.72,-17.32,;37.02,-18.86,;26.86,-22.76,;25.32,-22.76,;20.7,-22.66,;19.88,-21.38,;18.39,-21.79,;18.29,-23.33,;19.73,-23.89,)|

BDBM50207116

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1 |r,wU:6.6,wD:3.2,(25.87,-26.54,;26.59,-25.21,;25.82,-23.88,;24.29,-23.88,;23.52,-22.54,;21.97,-22.54,;21.2,-23.88,;19.67,-23.88,;18.9,-22.54,;17.36,-22.54,;16.59,-23.88,;15.06,-23.88,;14.29,-22.54,;15.06,-21.21,;16.59,-21.21,;12.75,-22.54,;11.83,-23.78,;10.4,-23.31,;10.4,-21.77,;9.27,-20.75,;9.58,-19.21,;11.07,-18.75,;12.13,-19.78,;11.83,-21.26,;21.97,-25.21,;23.52,-25.21,;28.13,-25.11,;28.95,-23.83,;30.43,-24.24,;31.72,-23.36,;33.1,-24.08,;33.15,-25.62,;31.87,-26.44,;30.48,-25.77,;29.05,-26.29,)|

BDBM263371

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1 |r,wU:3.2,wD:6.6,(-5.89,-.2,;-5.89,1.34,;-4.56,2.11,;-3.22,1.34,;-1.89,2.11,;-.56,1.34,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-1.89,-.97,;-3.22,-.2,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)|

BDBM263372

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2s1 |r,wU:3.2,wD:6.6,(-5.89,-.2,;-5.89,1.34,;-4.56,2.11,;-3.22,1.34,;-1.89,2.11,;-.56,1.34,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-1.89,-.97,;-3.22,-.2,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)|

BDBM263373

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc(o1)C#N |r,wU:3.2,wD:6.6,(-5.54,.38,;-5.54,1.92,;-4.21,2.69,;-2.87,1.92,;-1.54,2.7,;-.21,1.92,;-.21,.38,;1.13,-.39,;2.46,.38,;3.8,-.39,;3.8,-1.93,;5.13,-2.7,;6.46,-1.93,;6.46,-.39,;5.13,.38,;7.8,-2.7,;7.8,-4.24,;9.26,-4.71,;10.17,-3.47,;11.7,-3.3,;12.32,-1.9,;11.42,-.65,;9.89,-.81,;9.26,-2.22,;-1.54,-.39,;-2.87,.38,;-6.87,2.69,;-6.87,4.23,;-8.34,4.71,;-9.36,3.46,;-8.34,2.22,;-10.9,3.46,;-12.44,3.45,)|

BDBM263374

CC(C)(C)c1ccoc1C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:12.12,wD:15.16,(-5.84,3.88,;-7.33,4.27,;-7.72,5.76,;-6.24,5.36,;-8.41,3.18,;-9.88,3.66,;-10.78,2.41,;-9.88,1.17,;-8.41,1.64,;-7.08,.87,;-7.08,-.67,;-5.75,1.64,;-4.41,.87,;-3.08,1.64,;-1.75,.87,;-1.75,-.67,;-.41,-1.44,;.92,-.67,;2.26,-1.44,;2.26,-2.98,;3.59,-3.75,;4.92,-2.98,;4.92,-1.44,;3.59,-.67,;6.26,-3.75,;6.26,-5.29,;7.72,-5.76,;8.63,-4.52,;10.16,-4.35,;10.78,-2.95,;9.88,-1.7,;8.35,-1.86,;7.72,-3.27,;-3.08,-1.44,;-4.41,-.67,)|

BDBM263375

Cc1ccc([nH]1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,wD:12.13,(-11.55,3.46,;-10.01,3.46,;-9.11,4.71,;-7.64,4.23,;-7.64,2.69,;-9.11,2.22,;-6.31,1.92,;-6.31,.38,;-4.98,2.69,;-3.64,1.92,;-2.31,2.7,;-.98,1.92,;-.98,.38,;.36,-.39,;1.69,.38,;3.03,-.39,;3.03,-1.93,;4.36,-2.7,;5.69,-1.93,;5.69,-.39,;4.36,.38,;7.03,-2.7,;7.03,-4.24,;8.49,-4.71,;9.4,-3.47,;10.93,-3.3,;11.55,-1.9,;10.65,-.65,;9.12,-.81,;8.49,-2.22,;-2.31,-.39,;-3.64,.38,)|

BDBM263376

CC(=O)c1ccc(o1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:11.11,wD:14.15,(-11.94,2.09,;-11.17,3.42,;-11.94,4.75,;-9.63,3.42,;-8.72,4.67,;-7.26,4.19,;-7.26,2.65,;-8.72,2.18,;-5.93,1.88,;-5.93,.34,;-4.59,2.65,;-3.26,1.88,;-1.92,2.65,;-.59,1.88,;-.59,.34,;.74,-.43,;2.08,.34,;3.41,-.43,;3.41,-1.97,;4.74,-2.74,;6.08,-1.97,;6.08,-.43,;4.74,.34,;7.41,-2.74,;7.41,-4.28,;8.88,-4.75,;9.78,-3.51,;11.31,-3.35,;11.94,-1.94,;11.03,-.7,;9.5,-.86,;8.88,-2.26,;-1.92,-.43,;-3.26,.34,)|

BDBM263377

Cc1ccsc1C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,wD:12.13,(-7.08,4.86,;-8.41,4.09,;-9.88,4.56,;-10.78,3.32,;-9.88,2.07,;-8.41,2.55,;-7.08,1.78,;-7.08,.24,;-5.75,2.55,;-4.41,1.78,;-3.08,2.55,;-1.75,1.78,;-1.75,.24,;-.41,-.53,;.92,.24,;2.26,-.53,;2.26,-2.07,;3.59,-2.84,;4.92,-2.07,;4.92,-.53,;3.59,.24,;6.26,-2.84,;6.26,-4.38,;7.72,-4.86,;8.63,-3.61,;10.16,-3.45,;10.78,-2.04,;9.88,-.8,;8.35,-.96,;7.72,-2.37,;-3.08,-.53,;-4.41,.24,)|

BDBM263378

Brc1ccsc1C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,wD:12.13,(-7.08,4.86,;-8.41,4.09,;-9.88,4.56,;-10.78,3.32,;-9.88,2.07,;-8.41,2.55,;-7.08,1.78,;-7.08,.24,;-5.75,2.55,;-4.41,1.78,;-3.08,2.55,;-1.75,1.78,;-1.75,.24,;-.41,-.53,;.92,.24,;2.26,-.53,;2.26,-2.07,;3.59,-2.84,;4.92,-2.07,;4.92,-.53,;3.59,.24,;6.26,-2.84,;6.26,-4.38,;7.72,-4.86,;8.63,-3.61,;10.16,-3.45,;10.78,-2.04,;9.88,-.8,;8.35,-.96,;7.72,-2.37,;-3.08,-.53,;-4.41,.24,)|

BDBM263379

CCc1c(sc2ccccc12)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:14.15,wD:17.19,(-7.08,6.4,;-7.08,4.86,;-8.41,4.09,;-8.41,2.55,;-9.88,2.07,;-10.78,3.32,;-12.32,3.48,;-12.94,4.89,;-12.04,6.13,;-10.51,5.97,;-9.88,4.56,;-7.08,1.78,;-7.08,.24,;-5.75,2.55,;-4.41,1.78,;-3.08,2.55,;-1.75,1.78,;-1.75,.24,;-.41,-.53,;.92,.24,;2.26,-.53,;2.26,-2.07,;3.59,-2.84,;4.92,-2.07,;4.92,-.53,;3.59,.24,;6.26,-2.84,;6.26,-4.38,;7.72,-4.86,;8.63,-3.61,;10.16,-3.45,;10.78,-2.04,;9.88,-.8,;8.35,-.96,;7.72,-2.37,;-3.08,-.53,;-4.41,.24,)|

BDBM263380

Clc1c(sc2ccccc12)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:13.14,wD:16.18,(-7.08,4.86,;-8.41,4.09,;-8.41,2.55,;-9.88,2.07,;-10.78,3.32,;-12.32,3.48,;-12.94,4.89,;-12.04,6.13,;-10.51,5.97,;-9.88,4.56,;-7.08,1.78,;-7.08,.24,;-5.75,2.55,;-4.41,1.78,;-3.08,2.55,;-1.75,1.78,;-1.75,.24,;-.41,-.53,;.92,.24,;2.26,-.53,;2.26,-2.07,;3.59,-2.84,;4.92,-2.07,;4.92,-.53,;3.59,.24,;6.26,-2.84,;6.26,-4.38,;7.72,-4.86,;8.63,-3.61,;10.16,-3.45,;10.78,-2.04,;9.88,-.8,;8.35,-.96,;7.72,-2.37,;-3.08,-.53,;-4.41,.24,)|

BDBM263381

[O-][N+](=O)c1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:15.16,wD:18.20,(-10.47,6.68,;-11.24,5.34,;-12.78,5.34,;-10.47,4.01,;-11.2,2.63,;-10.43,1.29,;-8.89,1.29,;-7.86,.15,;-6.46,.78,;-6.62,2.31,;-8.12,2.63,;-8.89,3.96,;-5.12,.01,;-5.12,-1.53,;-3.79,.78,;-2.45,.01,;-1.12,.78,;.21,.01,;.21,-1.53,;1.55,-2.3,;2.88,-1.53,;4.21,-2.3,;4.21,-3.84,;5.55,-4.61,;6.88,-3.84,;6.88,-2.3,;5.55,-1.53,;8.22,-4.61,;8.22,-6.15,;9.68,-6.63,;10.58,-5.38,;12.12,-5.22,;12.74,-3.82,;11.84,-2.57,;10.31,-2.73,;9.68,-4.14,;-1.12,-2.3,;-2.45,-1.53,)|

BDBM263382

COc1ccc2oc(cc2c1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:14.15,wD:17.19,(-12.74,5.96,;-11.2,5.96,;-10.43,4.63,;-11.2,3.3,;-10.43,1.96,;-8.89,1.96,;-7.86,.82,;-6.46,1.44,;-6.62,2.97,;-8.12,3.3,;-8.89,4.63,;-5.12,.67,;-5.12,-.87,;-3.79,1.44,;-2.45,.67,;-1.12,1.44,;.21,.67,;.21,-.87,;1.55,-1.64,;2.88,-.87,;4.21,-1.64,;4.21,-3.18,;5.55,-3.95,;6.88,-3.18,;6.88,-1.64,;5.55,-.87,;8.22,-3.95,;8.22,-5.49,;9.68,-5.96,;10.58,-4.72,;12.12,-4.56,;12.74,-3.15,;11.84,-1.9,;10.31,-2.06,;9.68,-3.47,;-1.12,-1.64,;-2.45,-.87,)|

BDBM263383

O=C(Cc1cccs1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,wD:12.13,(-6.35,1.05,;-6.35,2.59,;-7.69,3.36,;-9.02,2.59,;-9.5,4.05,;-11.04,4.05,;-11.51,2.59,;-10.27,1.68,;-5.02,3.36,;-3.69,2.59,;-2.35,3.36,;-1.02,2.59,;-1.02,1.05,;.32,.28,;1.65,1.05,;2.98,.28,;2.98,-1.26,;4.32,-2.03,;5.65,-1.26,;5.65,.28,;4.32,1.05,;6.98,-2.03,;6.98,-3.57,;8.45,-4.05,;9.35,-2.8,;10.89,-2.64,;11.51,-1.24,;10.61,.01,;9.08,-.15,;8.45,-1.56,;-2.35,.28,;-3.69,1.05,)|

BDBM263384

O=C(Cc1coc2ccccc12)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:13.14,wD:16.18,(-5.33,.76,;-5.33,2.3,;-6.67,3.07,;-8,2.3,;-8,.76,;-9.47,.28,;-10.37,1.53,;-11.9,1.69,;-12.53,3.09,;-11.62,4.34,;-10.09,4.18,;-9.47,2.77,;-4,3.07,;-2.67,2.3,;-1.33,3.07,;,2.3,;,.76,;1.33,-.01,;2.67,.76,;4,-.01,;4,-1.55,;5.33,-2.32,;6.67,-1.55,;6.67,-.01,;5.33,.76,;8,-2.32,;8,-3.86,;9.47,-4.34,;10.37,-3.09,;11.9,-2.93,;12.53,-1.53,;11.62,-.28,;10.09,-.44,;9.47,-1.85,;-1.33,-.01,;-2.67,.76,)|

BDBM50207161

O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1 |r,wU:3.2,6.6,(25.23,-30.94,;25.94,-29.6,;25.17,-28.27,;23.64,-28.27,;22.87,-26.94,;21.34,-26.94,;20.57,-28.27,;19.03,-28.27,;18.26,-26.94,;16.72,-26.94,;15.95,-28.27,;14.41,-28.27,;13.64,-26.94,;14.41,-25.61,;15.95,-25.61,;12.17,-26.94,;11.25,-28.17,;9.81,-27.71,;9.81,-26.17,;8.64,-25.15,;8.99,-23.61,;10.43,-23.15,;11.55,-24.17,;11.25,-25.66,;21.34,-29.6,;22.87,-29.6,;27.48,-29.5,;28.3,-28.22,;29.79,-28.63,;29.89,-30.17,;28.45,-30.68,)|

BDBM263386

O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1 |r,wU:3.2,6.6,(-7.08,.38,;-7.08,1.92,;-5.75,2.69,;-4.41,1.92,;-4.41,.38,;-3.08,-.39,;-1.75,.38,;-.41,-.39,;.92,.38,;2.26,-.39,;2.26,-1.93,;3.59,-2.7,;4.92,-1.93,;4.92,-.39,;3.59,.38,;6.26,-2.7,;6.26,-4.24,;7.72,-4.71,;8.63,-3.47,;10.16,-3.3,;10.78,-1.9,;9.88,-.65,;8.35,-.81,;7.72,-2.22,;-1.75,1.92,;-3.08,2.7,;-8.41,2.69,;-8.41,4.23,;-9.88,4.71,;-10.78,3.46,;-9.88,2.22,)|

BDBM263387

O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc[nH]1 |r,wU:3.2,6.6,(-7.08,.38,;-7.08,1.92,;-5.75,2.69,;-4.41,1.92,;-4.41,.38,;-3.08,-.39,;-1.75,.38,;-.41,-.39,;.92,.38,;2.26,-.39,;2.26,-1.93,;3.59,-2.7,;4.92,-1.93,;4.92,-.39,;3.59,.38,;6.26,-2.7,;6.26,-4.24,;7.72,-4.71,;8.63,-3.47,;10.16,-3.3,;10.78,-1.9,;9.88,-.65,;8.35,-.81,;7.72,-2.22,;-1.75,1.92,;-3.08,2.7,;-8.41,2.69,;-8.41,4.23,;-9.88,4.71,;-10.78,3.46,;-9.88,2.22,)|

BDBM263388

O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1 |r,wU:3.2,6.6,(-5.89,-.2,;-5.89,1.34,;-4.56,2.11,;-3.22,1.34,;-3.22,-.2,;-1.89,-.97,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-.56,1.34,;-1.89,2.11,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)|

BDBM263389

O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1 |r,wU:3.2,6.6,(-5.89,-.2,;-5.89,1.34,;-4.56,2.11,;-3.22,1.34,;-3.22,-.2,;-1.89,-.97,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-.56,1.34,;-1.89,2.11,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)|

BDBM263390

O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2s1 |r,wU:3.2,6.6,(-5.89,-.2,;-5.89,1.34,;-4.56,2.11,;-3.22,1.34,;-3.22,-.2,;-1.89,-.97,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-.56,1.34,;-1.89,2.11,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)|

BDBM50207143

O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1 |r,wU:4.3,wD:7.7,(11.63,-23.22,;13.07,-23.76,;11.88,-24.73,;13.9,-22.46,;15.43,-22.53,;16.27,-21.24,;17.8,-21.31,;18.51,-22.68,;20.04,-22.75,;20.87,-21.45,;22.41,-21.53,;23.25,-20.23,;24.78,-20.3,;25.49,-21.67,;24.66,-22.97,;23.12,-22.9,;27.03,-21.75,;27.88,-23.03,;29.36,-22.62,;29.43,-21.08,;30.62,-20.11,;30.37,-18.59,;28.93,-18.05,;27.74,-19.02,;27.99,-20.54,;17.68,-23.98,;16.14,-23.9,;13.77,-25.13,;15.29,-25.35,;15.54,-26.87,;14.18,-27.58,;13.08,-26.5,)|

BDBM263392

O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc[nH]c1 |r,wU:4.3,wD:7.7,(-7.08,.38,;-7.08,1.92,;-7.08,3.46,;-5.75,2.69,;-4.41,1.92,;-3.08,2.7,;-1.75,1.92,;-1.75,.38,;-.41,-.39,;.92,.38,;2.26,-.39,;2.26,-1.93,;3.59,-2.7,;4.92,-1.93,;4.92,-.39,;3.59,.38,;6.26,-2.7,;6.26,-4.24,;7.72,-4.71,;8.63,-3.47,;10.16,-3.3,;10.78,-1.9,;9.88,-.65,;8.35,-.81,;7.72,-2.22,;-3.08,-.39,;-4.41,.38,;-8.41,2.69,;-8.41,4.23,;-9.88,4.71,;-10.78,3.46,;-9.88,2.22,)|

BDBM263393

O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1 |r,wU:4.3,wD:7.7,(-7.08,.38,;-7.08,1.92,;-7.08,3.46,;-5.75,2.69,;-4.41,1.92,;-3.08,2.7,;-1.75,1.92,;-1.75,.38,;-.41,-.39,;.92,.38,;2.26,-.39,;2.26,-1.93,;3.59,-2.7,;4.92,-1.93,;4.92,-.39,;3.59,.38,;6.26,-2.7,;6.26,-4.24,;7.72,-4.71,;8.63,-3.47,;10.16,-3.3,;10.78,-1.9,;9.88,-.65,;8.35,-.81,;7.72,-2.22,;-3.08,-.39,;-4.41,.38,;-8.41,2.69,;-8.41,4.23,;-9.88,4.71,;-10.78,3.46,;-9.88,2.22,)|

BDBM263394

O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2s1 |r,wU:4.3,wD:7.7,(-5.89,-.2,;-5.89,1.34,;-5.89,2.88,;-4.56,2.11,;-3.22,1.34,;-1.89,2.11,;-.56,1.34,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-1.89,-.97,;-3.22,-.2,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)|

BDBM263395

O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1 |r,wU:4.3,wD:7.7,(-5.89,-.2,;-5.89,1.34,;-5.89,2.88,;-4.56,2.11,;-3.22,1.34,;-1.89,2.11,;-.56,1.34,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-1.89,-.97,;-3.22,-.2,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)|

BDBM263396

O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1c[nH]c2ccccc12 |r,wU:4.3,wD:7.7,(-7.08,-.88,;-7.08,.66,;-7.08,2.2,;-5.75,1.43,;-4.41,.66,;-3.08,1.43,;-1.75,.66,;-1.75,-.88,;-.41,-1.65,;.92,-.88,;2.26,-1.65,;2.26,-3.19,;3.59,-3.96,;4.92,-3.19,;4.92,-1.65,;3.59,-.88,;6.26,-3.96,;6.26,-5.5,;7.72,-5.98,;8.63,-4.73,;10.16,-4.57,;10.78,-3.17,;9.88,-1.92,;8.35,-2.08,;7.72,-3.49,;-3.08,-1.65,;-4.41,-.88,;-8.41,1.43,;-9.88,.95,;-10.78,2.2,;-9.88,3.44,;-10.2,4.95,;-9.05,5.98,;-7.59,5.5,;-7.27,4,;-8.41,2.97,)|

BDBM263397

O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc(o1)[N+]#[C-] |r,wU:4.3,wD:7.7,(-5.54,.38,;-5.54,1.92,;-5.54,3.46,;-4.21,2.69,;-2.87,1.92,;-1.54,2.7,;-.21,1.92,;-.21,.38,;1.13,-.39,;2.46,.38,;3.8,-.39,;3.8,-1.93,;5.13,-2.7,;6.46,-1.93,;6.46,-.39,;5.13,.38,;7.8,-2.7,;7.8,-4.24,;9.26,-4.71,;10.17,-3.47,;11.7,-3.3,;12.32,-1.9,;11.42,-.65,;9.89,-.81,;9.26,-2.22,;-1.54,-.39,;-2.87,.38,;-6.87,2.69,;-6.87,4.23,;-8.34,4.71,;-9.36,3.46,;-8.34,2.22,;-10.9,3.46,;-12.44,3.45,)|

BDBM263398

Clc1ccc(o1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:10.10,wD:13.14,(-11.55,3.46,;-10.01,3.46,;-9.11,4.71,;-7.64,4.23,;-7.64,2.69,;-9.11,2.22,;-6.31,1.92,;-6.31,.38,;-6.31,3.46,;-4.98,2.69,;-3.64,1.92,;-2.31,2.7,;-.98,1.92,;-.98,.38,;.36,-.39,;1.69,.38,;3.03,-.39,;3.03,-1.93,;4.36,-2.7,;5.69,-1.93,;5.69,-.39,;4.36,.38,;7.03,-2.7,;7.03,-4.24,;8.49,-4.71,;9.4,-3.47,;10.93,-3.3,;11.55,-1.9,;10.65,-.65,;9.12,-.81,;8.49,-2.22,;-2.31,-.39,;-3.64,.38,)|

BDBM263399

Cc1ccc(o1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:10.10,wD:13.14,(-11.55,3.46,;-10.01,3.46,;-9.11,4.71,;-7.64,4.23,;-7.64,2.69,;-9.11,2.22,;-6.31,1.92,;-6.31,.38,;-6.31,3.46,;-4.98,2.69,;-3.64,1.92,;-2.31,2.7,;-.98,1.92,;-.98,.38,;.36,-.39,;1.69,.38,;3.03,-.39,;3.03,-1.93,;4.36,-2.7,;5.69,-1.93,;5.69,-.39,;4.36,.38,;7.03,-2.7,;7.03,-4.24,;8.49,-4.71,;9.4,-3.47,;10.93,-3.3,;11.55,-1.9,;10.65,-.65,;9.12,-.81,;8.49,-2.22,;-2.31,-.39,;-3.64,.38,)|

BDBM263400

CC(C)(C)c1ccc(s1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:13.13,wD:16.17,(-11.94,2.09,;-11.17,3.42,;-11.94,4.75,;-10.4,4.75,;-9.63,3.42,;-8.72,4.67,;-7.26,4.19,;-7.26,2.65,;-8.72,2.18,;-5.93,1.88,;-5.93,.34,;-5.93,3.42,;-4.59,2.65,;-3.26,1.88,;-1.92,2.65,;-.59,1.88,;-.59,.34,;.74,-.43,;2.08,.34,;3.41,-.43,;3.41,-1.97,;4.74,-2.74,;6.08,-1.97,;6.08,-.43,;4.74,.34,;7.41,-2.74,;7.41,-4.28,;8.88,-4.75,;9.78,-3.51,;11.31,-3.35,;11.94,-1.94,;11.03,-.7,;9.5,-.86,;8.88,-2.26,;-1.92,-.43,;-3.26,.34,)|

BDBM263401

Clc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:14.15,wD:17.19,(-11.97,5.96,;-11.2,4.63,;-11.97,3.3,;-11.2,1.96,;-9.66,1.96,;-8.63,.82,;-7.23,1.44,;-7.39,2.97,;-8.89,3.3,;-9.66,4.63,;-5.89,.67,;-5.89,-.87,;-5.89,2.21,;-4.56,1.44,;-3.22,.67,;-1.89,1.44,;-.56,.67,;-.56,-.87,;.78,-1.64,;2.11,-.87,;3.44,-1.64,;3.44,-3.18,;4.78,-3.95,;6.11,-3.18,;6.11,-1.64,;4.78,-.87,;7.45,-3.95,;7.45,-5.49,;8.91,-5.96,;9.81,-4.72,;11.35,-4.56,;11.97,-3.15,;11.07,-1.9,;9.54,-2.06,;8.91,-3.47,;-1.89,-1.64,;-3.22,-.87,)|

BDBM263402

O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2cc(ccc2s1)[N+]#[C-] |r,wU:4.3,wD:7.7,(-5.51,-1.53,;-5.51,.01,;-5.51,1.55,;-4.17,.78,;-2.84,.01,;-1.51,.78,;-.17,.01,;-.17,-1.53,;1.16,-2.3,;2.5,-1.53,;3.83,-2.3,;3.83,-3.84,;5.16,-4.61,;6.5,-3.84,;6.5,-2.3,;5.16,-1.53,;7.83,-4.61,;7.83,-6.15,;9.29,-6.63,;10.2,-5.38,;11.73,-5.22,;12.36,-3.82,;11.45,-2.57,;9.92,-2.73,;9.29,-4.14,;-1.51,-2.3,;-2.84,-1.53,;-6.84,.78,;-7,2.31,;-8.51,2.63,;-9.28,3.96,;-10.85,4.01,;-11.59,2.63,;-10.82,1.29,;-9.28,1.29,;-8.25,.15,;-11.62,5.34,;-12.39,6.68,)|

BDBM263403

Cc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:14.15,wD:17.19,(-11.97,5.96,;-11.2,4.63,;-11.97,3.3,;-11.2,1.96,;-9.66,1.96,;-8.63,.82,;-7.23,1.44,;-7.39,2.97,;-8.89,3.3,;-9.66,4.63,;-5.89,.67,;-5.89,-.87,;-5.89,2.21,;-4.56,1.44,;-3.22,.67,;-1.89,1.44,;-.56,.67,;-.56,-.87,;.78,-1.64,;2.11,-.87,;3.44,-1.64,;3.44,-3.18,;4.78,-3.95,;6.11,-3.18,;6.11,-1.64,;4.78,-.87,;7.45,-3.95,;7.45,-5.49,;8.91,-5.96,;9.81,-4.72,;11.35,-4.56,;11.97,-3.15,;11.07,-1.9,;9.54,-2.06,;8.91,-3.47,;-1.89,-1.64,;-3.22,-.87,)|

BDBM263404

[O-][N+](=O)c1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:16.17,wD:19.21,(-10.47,6.68,;-11.24,5.34,;-12.78,5.34,;-10.47,4.01,;-11.2,2.63,;-10.43,1.29,;-8.89,1.29,;-7.86,.15,;-6.46,.78,;-6.62,2.31,;-8.12,2.63,;-8.89,3.96,;-5.12,.01,;-5.12,-1.53,;-5.12,1.55,;-3.79,.78,;-2.45,.01,;-1.12,.78,;.21,.01,;.21,-1.53,;1.55,-2.3,;2.88,-1.53,;4.21,-2.3,;4.21,-3.84,;5.55,-4.61,;6.88,-3.84,;6.88,-2.3,;5.55,-1.53,;8.22,-4.61,;8.22,-6.15,;9.68,-6.63,;10.58,-5.38,;12.12,-5.22,;12.74,-3.82,;11.84,-2.57,;10.31,-2.73,;9.68,-4.14,;-1.12,-2.3,;-2.45,-1.53,)|

BDBM263405

COc1ccc2sc(cc2c1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:15.16,wD:18.20,(-12.74,5.96,;-11.2,5.96,;-10.43,4.63,;-11.2,3.3,;-10.43,1.96,;-8.89,1.96,;-7.86,.82,;-6.46,1.44,;-6.62,2.97,;-8.12,3.3,;-8.89,4.63,;-5.12,.67,;-5.12,-.87,;-5.12,2.21,;-3.79,1.44,;-2.45,.67,;-1.12,1.44,;.21,.67,;.21,-.87,;1.55,-1.64,;2.88,-.87,;4.21,-1.64,;4.21,-3.18,;5.55,-3.95,;6.88,-3.18,;6.88,-1.64,;5.55,-.87,;8.22,-3.95,;8.22,-5.49,;9.68,-5.96,;10.58,-4.72,;12.12,-4.56,;12.74,-3.15,;11.84,-1.9,;10.31,-2.06,;9.68,-3.47,;-1.12,-1.64,;-2.45,-.87,)|

BDBM263411

O=S(=O)(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1 |r,wU:4.3,7.7,(-7.08,.38,;-7.08,1.92,;-7.08,3.46,;-5.75,2.69,;-4.41,1.92,;-4.41,.38,;-3.08,-.39,;-1.75,.38,;-.41,-.39,;.92,.38,;2.26,-.39,;2.26,-1.93,;3.59,-2.7,;4.92,-1.93,;4.92,-.39,;3.59,.38,;6.26,-2.7,;6.26,-4.24,;7.72,-4.71,;8.63,-3.47,;10.16,-3.3,;10.78,-1.9,;9.88,-.65,;8.35,-.81,;7.72,-2.22,;-1.75,1.92,;-3.08,2.7,;-8.41,2.69,;-8.41,4.23,;-9.88,4.71,;-10.78,3.46,;-9.88,2.22,)|

BDBM263412

O=S(=O)(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccc[nH]1 |r,wU:4.3,7.7,(-7.08,.38,;-7.08,1.92,;-7.08,3.46,;-5.75,2.69,;-4.41,1.92,;-4.41,.38,;-3.08,-.39,;-1.75,.38,;-.41,-.39,;.92,.38,;2.26,-.39,;2.26,-1.93,;3.59,-2.7,;4.92,-1.93,;4.92,-.39,;3.59,.38,;6.26,-2.7,;6.26,-4.24,;7.72,-4.71,;8.63,-3.47,;10.16,-3.3,;10.78,-1.9,;9.88,-.65,;8.35,-.81,;7.72,-2.22,;-1.75,1.92,;-3.08,2.7,;-8.41,2.69,;-8.41,4.23,;-9.88,4.71,;-10.78,3.46,;-9.88,2.22,)|

BDBM263413

O=S(=O)(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1 |r,wU:4.3,7.7,(-7.08,.38,;-7.08,1.92,;-7.08,3.46,;-5.75,2.69,;-4.41,1.92,;-4.41,.38,;-3.08,-.39,;-1.75,.38,;-.41,-.39,;.92,.38,;2.26,-.39,;2.26,-1.93,;3.59,-2.7,;4.92,-1.93,;4.92,-.39,;3.59,.38,;6.26,-2.7,;6.26,-4.24,;7.72,-4.71,;8.63,-3.47,;10.16,-3.3,;10.78,-1.9,;9.88,-.65,;8.35,-.81,;7.72,-2.22,;-1.75,1.92,;-3.08,2.7,;-8.41,2.69,;-8.41,4.23,;-9.88,4.71,;-10.78,3.46,;-9.88,2.22,)|

BDBM263414

O=S(=O)(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2s1 |r,wU:4.3,7.7,(-5.89,-.2,;-5.89,1.34,;-5.89,2.88,;-4.56,2.11,;-3.22,1.34,;-3.22,-.2,;-1.89,-.97,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-.56,1.34,;-1.89,2.11,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)|

BDBM263415

O=S(=O)(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1 |r,wU:4.3,7.7,(-5.89,-.2,;-5.89,1.34,;-5.89,2.88,;-4.56,2.11,;-3.22,1.34,;-3.22,-.2,;-1.89,-.97,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-.56,1.34,;-1.89,2.11,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)|

BDBM263416

O=S(=O)(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2[nH]1 |r,wU:4.3,7.7,(-5.89,-.2,;-5.89,1.34,;-5.89,2.88,;-4.56,2.11,;-3.22,1.34,;-3.22,-.2,;-1.89,-.97,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-.56,1.34,;-1.89,2.11,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)|

BDBM263418

Cc1ccc(o1)S(=O)(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:10.10,13.14,(-11.55,3.46,;-10.01,3.46,;-9.11,4.71,;-7.64,4.23,;-7.64,2.69,;-9.11,2.22,;-6.31,1.92,;-6.31,.38,;-6.31,3.46,;-4.98,2.69,;-3.64,1.92,;-3.64,.38,;-2.31,-.39,;-.98,.38,;.36,-.39,;1.69,.38,;3.03,-.39,;3.03,-1.93,;4.36,-2.7,;5.69,-1.93,;5.69,-.39,;4.36,.38,;7.03,-2.7,;7.03,-4.24,;8.49,-4.71,;9.4,-3.47,;10.93,-3.3,;11.55,-1.9,;10.65,-.65,;9.12,-.81,;8.49,-2.22,;-.98,1.92,;-2.31,2.7,)|

BDBM263419

COC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:5.4,wD:8.8,(-10.27,2.93,;-8.93,3.7,;-7.6,2.93,;-7.6,1.39,;-6.26,3.7,;-4.93,2.93,;-3.6,3.7,;-2.26,2.93,;-2.26,1.39,;-.93,.62,;.4,1.39,;1.74,.62,;1.74,-.92,;3.07,-1.69,;4.4,-.92,;4.4,.62,;3.07,1.39,;5.74,-1.69,;5.74,-3.23,;7.2,-3.7,;8.11,-2.46,;9.64,-2.3,;10.27,-.89,;9.36,.36,;7.83,.2,;7.2,-1.21,;-3.6,.62,;-4.93,1.39,)|

BDBM50207158

CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:6.5,wD:9.9,(23.48,-37.39,;25.01,-37.44,;25.84,-36.17,;27.39,-36.27,;28.1,-37.6,;28.15,-34.94,;29.7,-34.94,;30.48,-33.61,;32.01,-33.61,;32.78,-34.95,;34.32,-34.96,;35.09,-33.62,;36.64,-33.62,;37.41,-34.96,;38.95,-34.97,;39.72,-33.63,;38.95,-32.29,;37.42,-32.29,;41.26,-33.64,;42.19,-34.87,;43.56,-34.41,;43.57,-32.88,;44.7,-31.85,;44.39,-30.31,;43.02,-29.84,;41.84,-30.87,;42.19,-32.36,;32.01,-36.28,;30.47,-36.28,)|

BDBM263421

CC(C)COC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:8.7,wD:11.11,(-11.6,2.16,;-10.27,2.93,;-10.27,4.47,;-8.93,2.16,;-7.6,2.93,;-6.26,2.16,;-6.26,.62,;-4.93,2.93,;-3.6,2.16,;-2.26,2.93,;-.93,2.16,;-.93,.62,;.4,-.15,;1.74,.62,;3.07,-.15,;3.07,-1.69,;4.4,-2.46,;5.74,-1.69,;5.74,-.15,;4.4,.62,;7.07,-2.46,;7.07,-4,;8.54,-4.47,;9.44,-3.23,;10.97,-3.07,;11.6,-1.66,;10.69,-.41,;9.16,-.57,;8.54,-1.98,;-2.26,-.15,;-3.6,.62,)|

BDBM263422

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)OC1CC1 |r,wU:3.2,wD:6.6,(-6.83,1.39,;-6.83,2.93,;-5.49,3.7,;-4.16,2.93,;-2.83,3.7,;-1.49,2.93,;-1.49,1.39,;-.16,.62,;1.17,1.39,;2.51,.62,;2.51,-.92,;3.84,-1.69,;5.17,-.92,;5.17,.62,;3.84,1.39,;6.51,-1.69,;6.51,-3.23,;7.97,-3.7,;8.88,-2.46,;10.41,-2.3,;11.04,-.89,;10.13,.36,;8.6,.2,;7.97,-1.21,;-2.83,.62,;-4.16,1.39,;-8.16,3.7,;-9.5,2.93,;-11.04,2.93,;-10.27,1.6,)|

BDBM263423

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)OC1CCCCC1 |r,wU:3.2,wD:6.6,(-6.26,1.39,;-6.26,2.93,;-4.93,3.7,;-3.6,2.93,;-2.26,3.7,;-.93,2.93,;-.93,1.39,;.4,.62,;1.74,1.39,;3.07,.62,;3.07,-.92,;4.4,-1.69,;5.74,-.92,;5.74,.62,;4.4,1.39,;7.07,-1.69,;7.07,-3.23,;8.54,-3.7,;9.44,-2.46,;10.97,-2.3,;11.6,-.89,;10.69,.36,;9.16,.2,;8.54,-1.21,;-2.26,.62,;-3.6,1.39,;-7.6,3.7,;-8.93,2.93,;-10.27,3.7,;-11.6,2.93,;-11.6,1.39,;-10.27,.62,;-8.93,1.39,)|

BDBM263424

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Oc1ccccc1 |r,wU:3.2,wD:6.6,(-6.26,1.39,;-6.26,2.93,;-4.93,3.7,;-3.6,2.93,;-2.26,3.7,;-.93,2.93,;-.93,1.39,;.4,.62,;1.74,1.39,;3.07,.62,;3.07,-.92,;4.4,-1.69,;5.74,-.92,;5.74,.62,;4.4,1.39,;7.07,-1.69,;7.07,-3.23,;8.54,-3.7,;9.44,-2.46,;10.97,-2.3,;11.6,-.89,;10.69,.36,;9.16,.2,;8.54,-1.21,;-2.26,.62,;-3.6,1.39,;-7.6,3.7,;-8.93,2.93,;-10.27,3.7,;-11.6,2.93,;-11.6,1.39,;-10.27,.62,;-8.93,1.39,)|

BDBM263425

COc1cccc(OC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nsc4ccccc34)CC2)c1 |r,wU:11.10,wD:14.14,(-12.27,4.47,;-12.27,2.93,;-10.93,2.16,;-10.93,.62,;-9.6,-.15,;-8.27,.62,;-8.27,2.16,;-6.93,2.93,;-5.6,2.16,;-5.6,.62,;-4.26,2.93,;-2.93,2.16,;-1.6,2.93,;-.26,2.16,;-.26,.62,;1.07,-.15,;2.4,.62,;3.74,-.15,;3.74,-1.69,;5.07,-2.46,;6.41,-1.69,;6.41,-.15,;5.07,.62,;7.74,-2.46,;7.74,-4,;9.2,-4.47,;10.11,-3.23,;11.64,-3.07,;12.27,-1.66,;11.36,-.41,;9.83,-.57,;9.2,-1.98,;-1.6,-.15,;-2.93,.62,;-9.6,2.93,)|

BDBM263426

Cc1ccccc1OC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:11.11,wD:14.15,(-7.6,.62,;-8.93,1.39,;-10.27,.62,;-11.6,1.39,;-11.6,2.93,;-10.27,3.7,;-8.93,2.93,;-7.6,3.7,;-6.26,2.93,;-6.26,1.39,;-4.93,3.7,;-3.6,2.93,;-2.26,3.7,;-.93,2.93,;-.93,1.39,;.4,.62,;1.74,1.39,;3.07,.62,;3.07,-.92,;4.4,-1.69,;5.74,-.92,;5.74,.62,;4.4,1.39,;7.07,-1.69,;7.07,-3.23,;8.54,-3.7,;9.44,-2.46,;10.97,-2.3,;11.6,-.89,;10.69,.36,;9.16,.2,;8.54,-1.21,;-2.26,.62,;-3.6,1.39,)|

BDBM263427

Clc1ccc(OC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nsc4ccccc34)CC2)cc1 |r,wU:9.8,wD:12.12,(-12.27,.62,;-10.93,1.39,;-10.93,2.93,;-9.6,3.7,;-8.27,2.93,;-6.93,3.7,;-5.6,2.93,;-5.6,1.39,;-4.26,3.7,;-2.93,2.93,;-1.6,3.7,;-.26,2.93,;-.26,1.39,;1.07,.62,;2.4,1.39,;3.74,.62,;3.74,-.92,;5.07,-1.69,;6.41,-.92,;6.41,.62,;5.07,1.39,;7.74,-1.69,;7.74,-3.23,;9.2,-3.7,;10.11,-2.46,;11.64,-2.3,;12.27,-.89,;11.36,.36,;9.83,.2,;9.2,-1.21,;-1.6,.62,;-2.93,1.39,;-8.27,1.39,;-9.6,.62,)|

BDBM263428

[O-][N+](=O)c1ccc(OC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nsc4ccccc34)CC2)cc1 |r,wU:11.10,wD:14.14,(-11.72,-.99,;-11.72,.55,;-13.06,1.32,;-10.39,1.32,;-10.27,2.93,;-8.93,3.7,;-7.6,2.93,;-6.26,3.7,;-4.93,2.93,;-4.93,1.39,;-3.6,3.7,;-2.26,2.93,;-.93,3.7,;.4,2.93,;.4,1.39,;1.74,.62,;3.07,1.39,;4.4,.62,;4.4,-.92,;5.74,-1.69,;7.07,-.92,;7.07,.62,;5.74,1.39,;8.41,-1.69,;8.41,-3.23,;9.87,-3.7,;10.78,-2.46,;12.31,-2.3,;12.93,-.89,;12.03,.36,;10.5,.2,;9.87,-1.21,;-.93,.62,;-2.26,1.39,;-7.6,1.39,;-8.93,.62,)|

BDBM263429

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)OCc1ccccc1 |r,wU:3.2,wD:6.6,(-5.6,.24,;-5.6,1.78,;-4.26,2.55,;-2.93,1.78,;-1.6,2.55,;-.26,1.78,;-.26,.24,;1.07,-.53,;2.4,.24,;3.74,-.53,;3.74,-2.07,;5.07,-2.84,;6.41,-2.07,;6.41,-.53,;5.07,.24,;7.74,-2.84,;7.74,-4.38,;9.2,-4.86,;10.11,-3.61,;11.64,-3.45,;12.27,-2.04,;11.36,-.8,;9.83,-.96,;9.2,-2.37,;-1.6,-.53,;-2.93,.24,;-6.93,2.55,;-8.27,1.78,;-9.6,2.55,;-9.6,4.09,;-10.93,4.86,;-12.27,4.09,;-12.27,2.55,;-10.93,1.78,)|

BDBM263430

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)OCc1cc2ccccc2o1 |r,wU:3.2,wD:6.6,(-4.56,-.2,;-4.56,1.34,;-3.22,2.11,;-1.89,1.34,;-.56,2.11,;.78,1.34,;.78,-.2,;2.11,-.97,;3.44,-.2,;4.78,-.97,;4.78,-2.51,;6.11,-3.28,;7.45,-2.51,;7.45,-.97,;6.11,-.2,;8.78,-3.28,;8.78,-4.82,;10.24,-5.3,;11.15,-4.05,;12.68,-3.89,;13.31,-2.48,;12.4,-1.24,;10.87,-1.4,;10.24,-2.8,;-.56,-.97,;-1.89,-.2,;-5.89,2.11,;-7.23,1.34,;-8.56,2.11,;-8.72,3.64,;-10.23,3.96,;-11,5.3,;-12.54,5.3,;-13.31,3.96,;-12.54,2.63,;-11,2.63,;-9.97,1.48,)|

BDBM263431

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)OCc1cccs1 |r,wU:3.2,wD:6.6,(-5.75,.38,;-5.75,1.92,;-4.41,2.69,;-3.08,1.92,;-1.75,2.7,;-.41,1.92,;-.41,.38,;.92,-.39,;2.26,.38,;3.59,-.39,;3.59,-1.93,;4.92,-2.7,;6.26,-1.93,;6.26,-.39,;4.92,.38,;7.59,-2.7,;7.59,-4.24,;9.05,-4.71,;9.96,-3.47,;11.49,-3.3,;12.12,-1.9,;11.21,-.65,;9.68,-.81,;9.05,-2.22,;-1.75,-.39,;-3.08,.38,;-7.08,2.69,;-8.41,1.92,;-9.75,2.69,;-9.75,4.23,;-11.21,4.71,;-12.12,3.46,;-11.21,2.22,)|

BDBM263432

COC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:5.4,8.8,(-10.27,2.93,;-8.93,3.7,;-7.6,2.93,;-7.6,1.39,;-6.26,3.7,;-4.93,2.93,;-4.93,1.39,;-3.6,.62,;-2.26,1.39,;-.93,.62,;.4,1.39,;1.74,.62,;1.74,-.92,;3.07,-1.69,;4.4,-.92,;4.4,.62,;3.07,1.39,;5.74,-1.69,;5.74,-3.23,;7.2,-3.7,;8.11,-2.46,;9.64,-2.3,;10.27,-.89,;9.36,.36,;7.83,.2,;7.2,-1.21,;-2.26,2.93,;-3.6,3.7,)|

BDBM50207110

CCOC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,6.5,(54.47,-17.58,;52.93,-17.65,;52.1,-16.36,;50.55,-16.44,;49.86,-17.82,;49.78,-15.11,;48.24,-15.11,;47.47,-13.77,;45.93,-13.77,;45.16,-15.11,;43.62,-15.11,;42.85,-13.77,;41.31,-13.77,;40.54,-15.11,;39,-15.11,;38.23,-13.77,;39,-12.44,;40.54,-12.44,;36.69,-13.77,;35.79,-15.02,;34.32,-14.54,;34.32,-13,;33.18,-11.98,;33.5,-10.47,;34.97,-9.99,;36.11,-11.02,;35.79,-12.53,;45.93,-16.44,;47.47,-16.44,)|

BDBM263434

O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)OCc1ccccc1 |r,wU:3.2,6.6,(-5.6,.24,;-5.6,1.78,;-4.26,2.55,;-2.93,1.78,;-2.93,.24,;-1.6,-.53,;-.26,.24,;1.07,-.53,;2.4,.24,;3.74,-.53,;3.74,-2.07,;5.07,-2.84,;6.41,-2.07,;6.41,-.53,;5.07,.24,;7.74,-2.84,;7.74,-4.38,;9.2,-4.86,;10.11,-3.61,;11.64,-3.45,;12.27,-2.04,;11.36,-.8,;9.83,-.96,;9.2,-2.37,;-.26,1.78,;-1.6,2.55,;-6.93,2.55,;-8.27,1.78,;-9.6,2.55,;-9.6,4.09,;-10.93,4.86,;-12.27,4.09,;-12.27,2.55,;-10.93,1.78,)|

BDBM50207162

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1ccccc1 |r,wU:3.2,wD:6.6,(50.44,-29.19,;50.04,-27.71,;51.06,-26.58,;52.54,-26.89,;53.62,-25.76,;55.11,-26.07,;55.56,-27.55,;57.05,-27.86,;58.13,-26.73,;59.62,-27.04,;60.07,-28.53,;61.61,-28.84,;62.64,-27.65,;62.13,-26.22,;60.64,-25.92,;64.13,-28.02,;64.74,-29.4,;66.28,-29.24,;66.59,-27.76,;67.92,-26.99,;67.92,-25.45,;66.59,-24.68,;65.25,-25.45,;65.25,-26.99,;54.55,-28.69,;53.06,-28.37,;48.55,-27.35,;47.47,-28.42,;45.98,-28.02,;44.98,-29.09,;45.27,-30.58,;46.75,-30.99,;47.88,-29.91,)|

BDBM263436

O=C(NCCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:12.12,wD:15.16,(-4.93,1.39,;-4.93,2.93,;-6.26,3.7,;-7.6,2.93,;-8.93,3.7,;-10.27,2.93,;-11.6,3.7,;-12.93,2.93,;-12.93,1.39,;-11.6,.62,;-10.27,1.39,;-3.6,3.7,;-2.26,2.93,;-.93,3.7,;.4,2.93,;.4,1.39,;1.74,.62,;3.07,1.39,;4.4,.62,;4.4,-.92,;5.74,-1.69,;7.07,-.92,;7.07,.62,;5.74,1.39,;8.41,-1.69,;8.41,-3.23,;9.87,-3.7,;10.78,-2.46,;12.31,-2.3,;12.93,-.89,;12.03,.36,;10.5,.2,;9.87,-1.21,;-.93,.62,;-2.26,1.39,)|

BDBM50207113

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1cccnc1 |r,wU:3.2,wD:6.6,(15.23,-21.5,;14.88,-22.99,;15.9,-24.12,;17.39,-23.82,;17.85,-22.32,;19.4,-22.02,;20.42,-23.15,;21.91,-22.84,;22.94,-23.97,;24.43,-23.66,;24.95,-22.17,;26.43,-21.87,;27.46,-22.99,;27,-24.48,;25.45,-24.79,;28.95,-22.68,;29.62,-21.3,;31.1,-21.45,;31.47,-22.94,;32.8,-23.71,;32.8,-25.25,;31.47,-26.02,;30.13,-25.25,;30.13,-23.71,;19.91,-24.63,;18.42,-24.95,;13.38,-23.35,;12.25,-22.27,;10.76,-22.68,;9.75,-21.6,;10.16,-20.12,;11.58,-19.7,;12.67,-20.78,)|

BDBM263438

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1ccco1 |r,wU:3.2,wD:6.6,(-6.41,1.39,;-6.41,2.93,;-5.08,3.7,;-3.75,2.93,;-2.41,3.7,;-1.08,2.93,;-1.08,1.39,;.25,.62,;1.59,1.39,;2.92,.62,;2.92,-.92,;4.26,-1.69,;5.59,-.92,;5.59,.62,;4.26,1.39,;6.92,-1.69,;6.92,-3.23,;8.39,-3.7,;9.29,-2.46,;10.82,-2.3,;11.45,-.89,;10.55,.36,;9.01,.2,;8.39,-1.21,;-2.41,.62,;-3.75,1.39,;-7.75,3.7,;-9.08,2.93,;-10.55,3.41,;-11.45,2.16,;-10.55,.92,;-9.08,1.39,)|

BDBM263439

O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1cc2ccccc2s1 |r,wU:3.2,wD:6.6,(-5.08,.47,;-5.08,2.01,;-3.75,2.78,;-2.42,2.01,;-1.08,2.78,;.25,2.01,;.25,.47,;1.58,-.3,;2.92,.47,;4.25,-.3,;4.25,-1.84,;5.59,-2.61,;6.92,-1.84,;6.92,-.3,;5.59,.47,;8.25,-2.61,;8.25,-4.15,;9.72,-4.62,;10.62,-3.38,;12.15,-3.22,;12.78,-1.81,;11.87,-.56,;10.34,-.72,;9.72,-2.13,;-1.08,-.3,;-2.42,.47,;-6.42,2.78,;-7.75,2.01,;-8.23,3.48,;-9.77,3.48,;-10.8,4.62,;-12.3,4.3,;-12.78,2.84,;-11.75,1.69,;-10.24,2.01,;-9,1.11,)|

BDBM50207091

CN(C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccccc1 |r,wU:5.4,wD:8.8,(19.37,-25.45,;20.19,-24.17,;21.74,-24.22,;22.46,-25.6,;22.51,-22.88,;24.05,-22.88,;24.83,-21.54,;26.37,-21.54,;27.14,-22.88,;28.69,-22.88,;29.46,-21.54,;31,-21.54,;31.77,-22.88,;33.32,-22.88,;34.09,-21.54,;33.32,-20.2,;31.77,-20.2,;35.63,-21.54,;36.56,-22.83,;38,-22.31,;38,-20.77,;39.12,-19.74,;38.76,-18.25,;37.38,-17.78,;36.25,-18.82,;36.56,-20.3,;26.37,-24.22,;24.83,-24.22,;19.53,-22.78,;20.35,-21.49,;19.63,-20.1,;18.09,-20.05,;17.26,-21.34,;17.98,-22.67,)|

BDBM263441

CCCCN(C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccccc1 |r,wU:8.7,wD:11.11,(-10.27,6.01,;-8.93,5.24,;-8.93,3.7,;-7.6,2.93,;-7.6,1.39,;-6.26,.62,;-6.26,-.92,;-4.93,1.39,;-3.6,.62,;-2.26,1.39,;-.93,.62,;-.93,-.92,;.4,-1.69,;1.74,-.92,;3.07,-1.69,;3.07,-3.23,;4.4,-4,;5.74,-3.23,;5.74,-1.69,;4.4,-.92,;7.07,-4,;7.07,-5.54,;8.54,-6.01,;9.44,-4.77,;10.97,-4.61,;11.6,-3.2,;10.69,-1.95,;9.16,-2.11,;8.54,-3.52,;-2.26,-1.69,;-3.6,-.92,;-8.93,.62,;-10.27,1.39,;-11.6,.62,;-11.6,-.92,;-10.27,-1.69,;-8.93,-.92,)|

BDBM263442

CN(C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cccs1 |r,wU:5.4,wD:8.8,(-7.75,4.47,;-7.75,2.93,;-6.41,2.16,;-6.41,.62,;-5.08,2.93,;-3.75,2.16,;-2.41,2.93,;-1.08,2.16,;-1.08,.62,;.25,-.15,;1.59,.62,;2.92,-.15,;2.92,-1.69,;4.26,-2.46,;5.59,-1.69,;5.59,-.15,;4.26,.62,;6.92,-2.46,;6.92,-4,;8.39,-4.47,;9.29,-3.23,;10.82,-3.07,;11.45,-1.66,;10.55,-.41,;9.01,-.57,;8.39,-1.98,;-2.41,-.15,;-3.75,.62,;-9.08,2.16,;-10.55,2.64,;-11.45,1.39,;-10.55,.15,;-9.08,.62,)|

BDBM263443

COc1cccc(NC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nsc4ccccc34)CC2)c1 |r,wU:11.10,wD:14.14,(-12.27,4.47,;-12.27,2.93,;-10.93,2.16,;-10.93,.62,;-9.6,-.15,;-8.27,.62,;-8.27,2.16,;-6.93,2.93,;-5.6,2.16,;-5.6,.62,;-4.26,2.93,;-2.93,2.16,;-1.6,2.93,;-.26,2.16,;-.26,.62,;1.07,-.15,;2.4,.62,;3.74,-.15,;3.74,-1.69,;5.07,-2.46,;6.41,-1.69,;6.41,-.15,;5.07,.62,;7.74,-2.46,;7.74,-4,;9.2,-4.47,;10.11,-3.23,;11.64,-3.07,;12.27,-1.66,;11.36,-.41,;9.83,-.57,;9.2,-1.98,;-1.6,-.15,;-2.93,.62,;-9.6,2.93,)|

BDBM263444

[O-][N+](=O)c1cccc(NC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nsc4ccccc34)CC2)c1 |r,wU:12.11,wD:15.15,(-13,2.27,;-11.65,3.02,;-11.64,4.56,;-10.33,2.24,;-10.27,.62,;-8.93,-.15,;-7.6,.62,;-7.6,2.16,;-6.26,2.93,;-4.93,2.16,;-4.93,.62,;-3.6,2.93,;-2.26,2.16,;-.93,2.93,;.4,2.16,;.4,.62,;1.74,-.15,;3.07,.62,;4.4,-.15,;4.4,-1.69,;5.74,-2.46,;7.07,-1.69,;7.07,-.15,;5.74,.62,;8.41,-2.46,;8.41,-4,;9.87,-4.47,;10.78,-3.23,;12.31,-3.07,;12.93,-1.66,;12.03,-.41,;10.5,-.57,;9.87,-1.98,;-.93,-.15,;-2.26,.62,;-8.93,2.93,)|

BDBM50207144

O=C(NCc1ccccc1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:11.11,wD:14.15,(26.22,-29.78,;25.55,-28.45,;24.01,-28.34,;23.14,-29.63,;21.6,-29.58,;20.94,-28.19,;19.4,-28.09,;18.58,-29.42,;19.25,-30.75,;20.78,-30.86,;26.32,-27.12,;27.86,-27.12,;28.63,-25.78,;30.16,-25.78,;30.93,-27.12,;32.47,-27.12,;33.24,-25.78,;34.77,-25.78,;35.54,-27.12,;37.08,-27.12,;37.85,-25.78,;37.08,-24.45,;35.54,-24.45,;39.39,-25.78,;40.26,-27.02,;41.68,-26.55,;41.68,-25.01,;42.81,-23.99,;42.5,-22.45,;41.01,-21.99,;39.95,-23.02,;40.26,-24.5,;30.16,-28.45,;28.63,-28.45,)|

BDBM263446

O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1ccccc1 |r,wU:3.2,6.6,(-6.26,1.39,;-6.26,2.93,;-4.93,3.7,;-3.6,2.93,;-3.6,1.39,;-2.26,.62,;-.93,1.39,;.4,.62,;1.74,1.39,;3.07,.62,;3.07,-.92,;4.4,-1.69,;5.74,-.92,;5.74,.62,;4.4,1.39,;7.07,-1.69,;7.07,-3.23,;8.54,-3.7,;9.44,-2.46,;10.97,-2.3,;11.6,-.89,;10.69,.36,;9.16,.2,;8.54,-1.21,;-.93,2.93,;-2.26,3.7,;-7.6,3.7,;-8.93,2.93,;-10.27,3.7,;-11.6,2.93,;-11.6,1.39,;-10.27,.62,;-8.93,1.39,)|

BDBM263447

O=C(NCc1ccccc1)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:11.11,14.15,(-5.6,.24,;-5.6,1.78,;-6.93,2.55,;-8.27,1.78,;-9.6,2.55,;-9.6,4.09,;-10.93,4.86,;-12.27,4.09,;-12.27,2.55,;-10.93,1.78,;-4.26,2.55,;-2.93,1.78,;-2.93,.24,;-1.6,-.53,;-.26,.24,;1.07,-.53,;2.4,.24,;3.74,-.53,;3.74,-2.07,;5.07,-2.84,;6.41,-2.07,;6.41,-.53,;5.07,.24,;7.74,-2.84,;7.74,-4.38,;9.2,-4.86,;10.11,-3.61,;11.64,-3.45,;12.27,-2.04,;11.36,-.8,;9.83,-.96,;9.2,-2.37,;-.26,1.78,;-1.6,2.55,)|

BDBM263448

O=C(N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)Nc1ccco1 |r,wU:3.2,6.6,(-6.41,1.39,;-6.41,2.93,;-5.08,3.7,;-3.75,2.93,;-3.75,1.39,;-2.41,.62,;-1.08,1.39,;.25,.62,;1.59,1.39,;2.92,.62,;2.92,-.92,;4.26,-1.69,;5.59,-.92,;5.59,.62,;4.26,1.39,;6.92,-1.69,;6.92,-3.23,;8.39,-3.7,;9.29,-2.46,;10.82,-2.3,;11.45,-.89,;10.55,.36,;9.01,.2,;8.39,-1.21,;-1.08,2.93,;-2.41,3.7,;-7.75,3.7,;-9.08,2.93,;-10.55,3.41,;-11.45,2.16,;-10.55,.92,;-9.08,1.39,)|

BDBM263449

CN(C)C(=O)NC1CCC(CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |(,-4.62,;1.33,-5.39,;2.67,-4.62,;1.33,-6.93,;,-7.7,;2.67,-7.7,;2.67,-9.24,;4,-10.01,;4,-11.55,;2.67,-12.32,;2.67,-13.86,;4,-14.63,;4,-16.17,;5.33,-16.94,;5.33,-18.48,;4,-19.25,;2.67,-18.48,;2.67,-16.94,;4,-20.79,;2.67,-21.56,;2.67,-23.1,;4,-23.87,;5.33,-23.1,;6.67,-23.87,;5.33,-21.56,;6.67,-20.79,;1.33,-11.55,;1.33,-10.01,)|

BDBM697956

C[C@H](CCCC(C)(C)O)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM697957

[#6]-[#6@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])-[#6@H]1-[#6]-[#6]-[#6]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|

BDBM50619813

C[C@@H]1[C@H](CCC\C1=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)c1cccc(OCCC(C)(C)O)c1 |r|

BDBM50619817

C[C@@H]1[C@H](CCC\C1=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)c1cccc(CCCC(C)(C)O)c1 |r|

BDBM50619814

[#6]-[#6@@H]1-[#6@H](-[#6]-[#6]-[#6]\[#6]-1=[#6]/[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1cccc(-[#8]-[#6]-[#6]C([#6])([#6])[#8])c1 |r|

BDBM50619818

[#6]-[#6@@H]1-[#6@H](-[#6]-[#6]-[#6]\[#6]-1=[#6]/[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1cccc(-[#6]-[#6]-[#6]C([#6])([#6])[#8])c1 |r|

BDBM50619815

[#6]-[#6@H]1-[#6@@H](-[#6]-[#6]-[#6]\[#6]-1=[#6]/[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1cccc(-[#8]-[#6]-[#6]C([#6])([#6])[#8])c1 |r|

BDBM697963

[#6]-[#6@H]1-[#6@@H](-[#6]-[#6]-[#6]\[#6]-1=[#6]/[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1cccc(-[#8]-[#6]-[#6]-[#6]C([#6])([#6])[#8])c1 |r|

BDBM697964

[#6]-[#6@H]1-[#6@@H](-[#6]-[#6]-[#6]\[#6]-1=[#6]/[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1cccc(-[#8]-[#6]-[#6]C([#6])([#6])[#6])c1 |r|

BDBM697966

[#6]-[#6@H]1-[#6@@H](-[#6]-[#6]-[#6]\[#6]-1=[#6]/[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1cccc(-[#8]-[#6]C([#6])([#6])[#8])c1 |r|

BDBM697967

[#6]-[#6@H]1-[#6@@H](-[#6]-[#6]-[#6]\[#6]-1=[#6]/[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1cccc(-[#8])c1 |r|

BDBM697968

[#6]-[#6](-[#6])-[#6@@H]-1-[#6]-[#6@H](-[#6@H](-[#6])\[#6](-[#6]-1)=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1cccc(-[#8]-[#6]-[#6]C([#6])([#6])[#8])c1 |r|

BDBM50619822

[#6]-[#6](-[#6])-[#6@H]-1-[#6]-[#6@H](-[#6@H](-[#6])\[#6](-[#6]-1)=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1cccc(-[#8]-[#6]-[#6]C([#6])([#6])[#8])c1 |r|

BDBM50223417

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)C[C@@H]1C[C@](C)(O)C(=O)N1C

BDBM50244240

CCC(CC)(CS[C@@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C(=CCO)[C@@H](C3)O)O)C)O

BDBM50412385

CCCOC1[C@H](O)CC(C[C@H]1O)=CC=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCCC(O)(CC)CC |r,wU:18.19,10.11,wD:5.5,4.3,c:24,@@:4,(-19.88,-.17,;-21.22,.6,;-22.55,-.17,;-23.88,.6,;-23.88,2.14,;-25.22,2.91,;-26.55,2.14,;-25.22,4.45,;-23.88,5.22,;-22.55,4.45,;-22.55,2.91,;-21.22,2.14,;-23.88,6.76,;-22.55,7.53,;-22.55,9.07,;-23.88,9.84,;-23.88,11.38,;-22.55,12.15,;-21.22,11.38,;-21.22,12.92,;-21.22,9.84,;-19.75,9.37,;-18.85,10.61,;-19.75,11.86,;-19.28,13.33,;-20.31,14.47,;-17.77,13.65,;-16.68,12.56,;-15.19,12.96,;-14.1,11.87,;-12.62,12.26,;-11.19,12.85,;-12.62,13.8,;-11.28,14.57,;-11.53,11.18,;-10.04,11.57,)|

BDBM50005618

CCC(O)(CC)CSC(C)C1=CCC2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1 |r,wU:18.20,31.33,wD:24.26,26.28,t:10,@:26,(-13.31,14.84,;-14.79,14.44,;-15.19,12.96,;-13.71,13.35,;-14.1,11.87,;-12.62,12.26,;-16.68,12.56,;-17.77,13.65,;-19.28,13.33,;-20.31,14.47,;-19.75,11.86,;-18.85,10.61,;-19.75,9.37,;-21.22,9.84,;-22.55,9.07,;-23.88,9.84,;-23.88,11.38,;-22.55,12.15,;-21.22,11.38,;-21.22,12.92,;-22.55,7.53,;-23.88,6.76,;-23.88,5.22,;-25.22,4.45,;-25.22,2.91,;-26.55,2.14,;-23.88,2.14,;-23.88,.6,;-22.55,-.17,;-21.22,.6,;-19.88,-.17,;-22.55,2.91,;-21.22,2.14,;-22.55,4.45,)|

BDBM50244241

CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=CCO)[C@H](O)C1 |r,wU:13.12,30.32,18.20,8.8,wD:24.26,t:10,(11.14,6.94,;10.03,5.88,;10.38,4.38,;11.86,4.79,;10.74,2.89,;12.22,2.45,;8.87,4.07,;7.85,5.22,;6.34,4.91,;5.31,6.05,;5.86,3.44,;6.75,2.2,;5.85,.96,;4.39,1.44,;3.06,.67,;1.72,1.44,;1.73,2.98,;3.07,3.75,;4.4,2.97,;4.39,4.52,;3.06,-.87,;1.73,-1.64,;1.73,-3.18,;.4,-3.96,;.4,-5.5,;-.94,-6.27,;1.73,-6.26,;1.73,-7.8,;.39,-8.57,;-.94,-7.8,;3.05,-5.5,;4.39,-6.27,;3.05,-3.96,)|

BDBM50244165

CCC(CC)(CS[C@H](C)C1=CC[C@@H]\2[C@@]1(CCC/C2=C\C=C3C[C@H](C([C@@H](C3)O)OCCO)O)C)O

BDBM50244269

CCC(O)(CC)CS[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)(O)[C@H](O)C1 |r,wU:13.12,18.20,24.26,8.8,wD:29.31,t:10,(8.85,-9.48,;7.73,-10.54,;8.1,-12.04,;9.58,-11.63,;8.46,-13.53,;9.94,-13.97,;6.59,-12.36,;5.56,-11.21,;4.06,-11.53,;3.03,-10.38,;3.58,-12.99,;4.48,-14.23,;3.58,-15.47,;2.12,-15,;.79,-15.77,;-.56,-15,;-.55,-13.45,;.79,-12.69,;2.12,-13.46,;2.11,-11.92,;.79,-17.31,;-.55,-18.08,;-.55,-19.62,;.78,-20.39,;.78,-21.93,;2.12,-22.71,;-.55,-22.7,;.54,-23.78,;-1.65,-23.78,;-1.87,-21.93,;-3.21,-22.71,;-1.87,-20.39,)|

BDBM50412386

CCCOC1[C@H](O)CC(C[C@H]1O)=CC=C1/CCC[C@@]2(C)C1CC=C2C(C)SCCC(O)(CC)CC |r,wU:18.19,10.11,wD:5.5,4.3,c:24,@@:4,(-19.88,-.17,;-21.22,.6,;-22.55,-.17,;-23.88,.6,;-23.88,2.14,;-25.22,2.91,;-26.55,2.14,;-25.22,4.45,;-23.88,5.22,;-22.55,4.45,;-22.55,2.91,;-21.22,2.14,;-23.88,6.76,;-22.55,7.53,;-22.55,9.07,;-23.88,9.84,;-23.88,11.38,;-22.55,12.15,;-21.22,11.38,;-21.22,12.92,;-21.22,9.84,;-19.75,9.37,;-18.85,10.61,;-19.75,11.86,;-19.28,13.33,;-20.31,14.47,;-17.77,13.65,;-16.68,12.56,;-15.19,12.96,;-14.1,11.87,;-13.01,10.78,;-14.5,10.38,;-13.41,9.29,;-12.62,12.26,;-11.53,11.18,)|

BDBM50244268

CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)(O)[C@H](O)C1 |r,wU:13.12,18.20,24.26,wD:29.31,8.8,t:10,(-2.81,-9.71,;-3.92,-10.77,;-3.56,-12.27,;-2.08,-11.86,;-3.2,-13.77,;-1.72,-14.2,;-5.07,-12.59,;-6.1,-11.44,;-7.6,-11.76,;-8.63,-10.62,;-8.08,-13.23,;-7.18,-14.47,;-8.08,-15.71,;-9.54,-15.23,;-10.87,-16,;-12.22,-15.23,;-12.21,-13.69,;-10.87,-12.92,;-9.54,-13.7,;-9.55,-12.16,;-10.87,-17.54,;-12.22,-18.31,;-12.22,-19.85,;-10.88,-20.63,;-10.88,-22.17,;-9.54,-22.94,;-12.22,-22.93,;-11.12,-24.02,;-13.31,-24.02,;-13.53,-22.17,;-14.88,-22.94,;-13.53,-20.63,)|

BDBM50329705

CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1

BDBM50329704

CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1

BDBM50329707

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1

BDBM50329706

CCC(CC)(c1ccc(c(c1)C)OC[C@H](CO)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O

BDBM50389854

COc1ccc(NC(c2c(C)[nH]c3ccccc23)c2ccccc2Cl)cc1

BDBM50389855

Cc1[nH]c2ccccc2c1C(Nc1ccc(C)cc1)c1ccccc1Cl

BDBM50389859

Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccc2ccccc2c1

BDBM50389858

Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccc(CCCO)cc1

BDBM50389857

Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccccc1Cl

BDBM50389856

Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1ccccc1Cl

BDBM50389851

COc1ccccc1NC(c1c(C)[nH]c2ccccc12)c1ccccc1Cl

BDBM50389863

COc1ccc(cc1)C(Nc1ccccc1)c1c(C)[nH]c2ccccc12

BDBM50389866

Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccc(C)cc1

BDBM50389864

Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccc(Cl)cc1

BDBM50389878

CC(C)c1ccc(cc1)C(Nc1ccccn1)c1c(C)[nH]c2ccccc12

BDBM50389860

Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccc(cc1)[N+]([O-])=O

BDBM50389890

CCOc1ccc(\C=C\C2=[N+](C)c3ccc(cc3C2(C)C)C(=O)OC)cc1 |c:9|

BDBM50389888

COC(=O)c1ccc(\C=C\C2=[N+](C)c3ccc(OC)cc3C2(C)C)cc1 |c:10|

BDBM33826

CCc1ccc(cc1)S(=O)(=O)ON1C(=O)c2ccccc2C1=O

BDBM50389887

CCCS(=O)(=O)c1oc(nc1S(=O)(=O)c1ccc(F)cc1)-c1cccs1

BDBM50389886

CCS(=O)(=O)c1oc(nc1S(=O)(=O)c1ccccc1)-c1cccs1

BDBM50389885

CC(C)CS(=O)(=O)c1oc(nc1S(=O)(=O)c1ccc(F)cc1)-c1cccs1

BDBM50389883

CC(C)S(=O)(=O)c1oc(nc1S(=O)(=O)c1ccccc1)-c1cccs1

BDBM50389861

CC(Nc1ccccc1)c1c(C)[nH]c2ccccc12

BDBM50389892

COc1ccc(\C=C\C2=[N+](C)c3ccc(OC)cc3C2(C)C)cc1 |c:8|

BDBM50389891

COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(OC)cc1)=[N+]2C |c:25|

BDBM34717

COC(=O)c1ccc2c(c1)C(C)(C)C(\C=C\c1ccc(O)cc1)=[N+]2C |c:24|

BDBM50389865

Cc1[nH]c2ccccc2c1C(Nc1ccccc1)c1ccccc1

BDBM50389848

Clc1ccccc1C(Nc1ccccc1)c1c[nH]c2ccccc12

BDBM50397074

CC/C(=C\C=C\C(C(F)(F)F)(C(F)(F)F)O)/c1cccc(c1)CCc2ccc(c(c2)CO)CO

BDBM50200182

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50013603

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6@@H](-[#6]-[#6]-[#8])-[#6]-[#6]-[#6]-[#6] |r|

BDBM50013604

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6@H](-[#6]-[#6])-[#6]-[#6]-[#8] |r|

BDBM50013605

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6@H](-[#6]-[#6]-[#6]-[#6])-[#6]C([#6])([#6])[#8] |r|

BDBM50013606

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6@H](-[#6]-[#6])-[#6]C([#6])([#6])[#8] |r|

BDBM50013607

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6@H](-[#6]-[#6]-[#6]-[#6])-[#6]-[#6]-[#6]-[#8] |r|

BDBM50013610

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6@H](-[#6]-[#6])-[#6]-[#6]-[#6]-[#8] |r|

BDBM50013612

BDBM50013617

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6@H](-[#6]-[#6])-[#6]-[#6]C([#6])([#6])[#8] |r|

BDBM50013618

BDBM50013642

BDBM50015315

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]C#C[#6@H](-[#8])C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2 |r,THB:35:34:31:37.36.38,35:36:33.34.39:31,38:36:33:39.30.31,38:30:33:37.35.36|

BDBM50015316

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]C#C[#6@@H](-[#8])-[#6]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2 |r,THB:36:35:32:38.37.39,36:37:34.35.40:32,39:37:34:40.31.32,39:31:34:38.36.37,30:31:34:38.36.37|

BDBM50015317

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]C#C[#6@H](-[#8])-[#6]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2 |r,THB:36:35:32:38.37.39,36:37:34.35.40:32,39:37:34:40.31.32,39:31:34:38.36.37,30:31:34:38.36.37|

BDBM50015318

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]C#C[#6@@H](-[#8])C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2 |r,THB:35:34:31:37.36.38,35:36:33.34.39:31,38:36:33:39.30.31,38:30:33:37.35.36|

BDBM50236238

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C |r|

BDBM50030475

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)C |r|

BDBM50143770

C[C@H](CCCC(C)(C)O)C1CC[C@@]2(C)\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50145539

C[C@H](CCCC(C)(C)O)C1CCC2C(CCC[C@]12C)=CCC1C[C@@H](O)CC(=O)C1=O |w:19.21|

BDBM50145538

C[C@H](C[C@H]1C[C@](C)(O)C(=O)N1Cc1ccccc1)C1CCC2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50145540

C[C@H](C[C@H]1C[C@](C)(O)C(=O)N1C)C1CCC2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50062943

CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOCCCCOCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(CO)(CO)NC1=O)C(N)=O |r|

BDBM50062944

CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOCC(O)C(O)COCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC1=O)C(N)=O |r|

BDBM50062945

CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCOCC=C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCOCC=C)C(O)=O |r|

BDBM50182484

[#6]-[#6@H](\[#6]=[#6]\[#6]-[#6@H](-[#8])C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6]1-[#6]-[#6]-[#6]2\[#6](-[#6]-[#6]-[#6]C12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |TLB:10:11:9.14.8:15,THB:12:11:8:14.13.15,12:13:10.11.16:8,10:9:11.12.16:15|

BDBM50182485

[#6]-[#6@H](-[#6]-[#6@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6]1-[#6]-[#6]-[#6]2\[#6](-[#6]-[#6]-[#6]C12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1

BDBM50186661

C[C@H](CCCC(C)(C)C)C1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50186662

C[C@@H](CCCC(C)(C)O)C1CCC2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=CCCO)[C@H](O)C1 |wU:1.0,17.19,23.25,wD:30.32,(-.61,-32.47,;.42,-33.61,;1.92,-33.29,;2.95,-34.44,;4.46,-34.12,;5.49,-35.26,;4.37,-36.32,;6.61,-34.21,;6.57,-36.35,;-.06,-35.08,;.85,-36.32,;-.06,-37.57,;-1.53,-37.09,;-2.86,-37.85,;-4.18,-37.09,;-4.18,-35.55,;-2.86,-34.77,;-1.53,-35.55,;-1.54,-34.01,;-2.86,-39.39,;-4.19,-40.16,;-4.19,-41.7,;-2.85,-42.47,;-2.86,-44.02,;-1.52,-44.79,;-4.19,-44.78,;-4.2,-46.32,;-5.54,-47.09,;-5.54,-48.63,;-6.88,-49.39,;-5.52,-44.01,;-6.86,-44.77,;-5.52,-42.47,)|

BDBM50186664

C[C@H](CCCC(C)(C)O)C1CCC2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(=CCCO)[C@H](O)C1 |wU:17.19,23.25,wD:1.0,30.32,(-.61,-13.17,;.42,-14.31,;1.93,-13.99,;2.96,-15.14,;4.47,-14.82,;5.5,-15.96,;4.38,-17.02,;6.62,-14.91,;6.58,-17.05,;-.05,-15.78,;.85,-17.03,;-.05,-18.27,;-1.52,-17.8,;-2.85,-18.56,;-4.18,-17.8,;-4.18,-16.26,;-2.85,-15.48,;-1.52,-16.26,;-1.53,-14.72,;-2.85,-20.1,;-4.18,-20.87,;-4.18,-22.41,;-2.84,-23.18,;-2.85,-24.72,;-1.52,-25.5,;-4.19,-25.49,;-4.19,-27.03,;-5.53,-27.79,;-5.54,-29.33,;-6.87,-30.1,;-5.51,-24.71,;-6.85,-25.47,;-5.51,-23.18,)|

BDBM50186666

COCOCCC=C1[C@H](O)CC(C[C@H]1O)=C\C=C1/CCC[C@]2(C)C(CCC12)[C@H](C)CCCC(C)(C)O |wU:21.22,8.8,wD:27.30,13.14,(5.91,-9.66,;7.24,-10.44,;8.57,-9.67,;9.9,-10.45,;11.24,-9.69,;11.25,-8.15,;12.58,-7.38,;12.59,-5.84,;13.93,-5.07,;15.26,-5.85,;13.94,-3.53,;12.59,-2.76,;11.27,-3.53,;11.26,-5.06,;9.92,-5.83,;12.59,-1.22,;13.93,-.45,;13.93,1.09,;12.6,1.85,;12.6,3.39,;13.93,4.17,;15.26,3.39,;15.24,4.93,;16.72,3.87,;17.63,2.62,;16.72,1.37,;15.26,1.85,;17.2,5.33,;16.17,6.48,;18.71,5.65,;19.74,4.51,;21.24,4.83,;22.27,3.68,;21.16,2.62,;23.4,4.74,;23.36,2.6,)|

BDBM50198705

C[C@H](CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C\C=C1C[C@@H](O)C(=CCF)[C@H](O)C1 |w:12.11,17.19,9.9,wU:23.25,wD:29.31,1.0,(-1.19,-25.99,;-.16,-27.13,;1.34,-26.82,;1.82,-25.35,;3.33,-25.04,;3.81,-23.58,;5.29,-24.01,;2.33,-23.15,;4.2,-22.08,;-.65,-28.59,;.25,-29.84,;-.66,-31.09,;-2.12,-30.61,;-3.46,-31.37,;-4.79,-30.6,;-4.78,-29.06,;-3.45,-28.29,;-2.12,-29.07,;-2.13,-27.52,;-3.46,-32.91,;-4.78,-33.68,;-4.78,-35.22,;-3.46,-36,;-3.46,-37.54,;-2.13,-38.31,;-4.78,-38.3,;-4.78,-39.84,;-3.46,-40.61,;-2.12,-39.84,;-6.11,-37.54,;-7.45,-38.31,;-6.11,-36,)|

BDBM50198707

C[C@@H](CCCC(C)(C)O)C1CCC2\C(CCCC12C)=C\C=C1C[C@@H](O)C(=CCF)[C@H](O)C1 |w:12.11,17.19,9.9,wU:23.25,1.0,wD:29.31,(25.28,-25.48,;26.31,-26.62,;27.81,-26.31,;28.29,-24.84,;29.8,-24.53,;30.28,-23.07,;31.76,-23.5,;28.8,-22.64,;30.67,-21.57,;25.82,-28.08,;26.72,-29.33,;25.81,-30.57,;24.35,-30.1,;23.01,-30.86,;21.68,-30.09,;21.69,-28.55,;23.02,-27.77,;24.35,-28.56,;24.34,-27.01,;23.01,-32.4,;21.69,-33.17,;21.69,-34.71,;23.01,-35.49,;23.01,-37.03,;24.34,-37.8,;21.69,-37.79,;21.69,-39.33,;23.01,-40.1,;24.35,-39.33,;20.36,-37.03,;19.02,-37.8,;20.36,-35.49,)|

BDBM50200179

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](C(F)F)C1=C |r|

BDBM50200180

CCC(O)(CC)CCCO[C@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](C(F)F)C1=C |r|

BDBM50200181

CCC(O)(CC)C(F)(F)CC[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](C(F)F)C1=C |r,t:13|

BDBM50104639

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](=[#6]\[#6]=[#6]-3/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-3)-[#6@@H](-[#6])-[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6]C([#6])([#6])[#8] |r|

BDBM50104640

[H][C@@]1(CC[C@@]2([H])\C(=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)[C@H](C)CC[C@]12C)[C@H](C)CCCC(C)(C)O |r|

BDBM50104641

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](=[#6]\[#6]=[#6]-3/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-3)-[#6](=[#6])-[#6]-[#6][C@]12[#6])[#6@H](-[#6])-[#6]-[#6]-[#6]C([#6])([#6])[#8] |r|

BDBM50104642

[H][C@@]1(CC[C@@]2([H])\C(=C\C=C3\C[C@@H](O)C[C@H](O)[C@H]3C)C(=C)CC[C@]12C)[C@H](C)CCCC(C)(C)O |r|

BDBM50104643

[H][C@@]1(CC[C@@]2([H])\C(=C\C=C3\C[C@@H](O)C[C@H](O)[C@@H]3C)C(=C)CC[C@]12C)[C@H](C)CCCC(C)(C)O |r|

BDBM50104644

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](=[#6]\[#6]=[#6]-3/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-3)\[#6](\[#6]-[#6][C@]12[#6])=[#6]\[#6])[#6@H](-[#6])-[#6]-[#6]-[#6]C([#6])([#6])[#8] |r|

BDBM50224332

C[C@H](COCC(=C)C1(C)CCCCC1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50224335

C[C@H](COCC(=C)C1=CCCCC1(C)C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |t:7|

BDBM50224334

C[C@H](COCc1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50224337

C[C@H](COCC(=C)C(C)(C)C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50224338

C[C@H](COCC#CC(C)(C)C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50124417

C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OCCC(C)(C)O

BDBM50124508

[H][C@@]12CC[C@]([H])([C@@](C)(O)CC[C@H](O)C(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50124509

[H][C@@]12CC[C@]([H])([C@@](C)(O)CC[C@@H](O)C(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50262539

C[C@H](C[C@H]1C[C@](C)(O)C(=O)N1Cc1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50262551

CCCCOc1cc(CN2[C@@H](C[C@@H](C)[C@H]3CC[C@H]4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@](C)(O)C2=O)cc(OCCCC)c1 |r|

BDBM50262550

CCCOc1cc(CN2[C@@H](C[C@@H](C)[C@H]3CC[C@H]4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@](C)(O)C2=O)cc(OCCC)c1 |r|

BDBM50262549

CCOc1cc(CN2[C@@H](C[C@@H](C)[C@H]3CC[C@H]4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@](C)(O)C2=O)cc(OCC)c1 |r|

BDBM50262548

COc1cc(CCCN2[C@@H](C[C@@H](C)[C@H]3CC[C@H]4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@](C)(O)C2=O)cc(OC)c1 |r|

BDBM50262547

COc1cc(CCN2[C@@H](C[C@@H](C)[C@H]3CC[C@H]4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@](C)(O)C2=O)cc(OC)c1 |r|

BDBM50262546

COc1cc(CN2[C@H](C[C@@H](C)[C@H]3CC[C@H]4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@](C)(O)C2=O)cc(OC)c1 |r|

BDBM50262545

COc1cc(CN2[C@@H](C[C@@H](C)[C@H]3CC[C@H]4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@@](C)(O)C2=O)cc(OC)c1 |r|

BDBM50262544

COc1cc(CN2[C@H](C[C@@H](C)[C@H]3CC[C@H]4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@@](C)(O)C2=O)cc(OC)c1 |r|

BDBM50262543

COc1cc(CN2[C@@H](C[C@@H](C)[C@H]3CC[C@H]4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@](C)(O)C2=O)cc(OC)c1 |r|

BDBM50262542

C[C@H](C[C@H]1C[C@](C)(O)C(=O)N1CCCCc1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50262541

C[C@H](C[C@H]1C[C@](C)(O)C(=O)N1CCCc1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50262540

C[C@H](C[C@H]1C[C@](C)(O)C(=O)N1CCc1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50129805

BDBM50131048

CCCCCCOC(C)(C)[C@@H](O)COc1ccc(cc1C)C(CC)(CC)c1ccc(OC[C@@H](O)CO)c(C)c1 |r|

BDBM50131056

CCCCCCOC(C)(C)[C@H](O)COc1ccc(cc1C)C(CC)(CC)c1ccc(OC[C@@H](O)CO)c(C)c1 |r|

BDBM50131057

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)OCCCCCCCCO)c(C)c1 |r|

BDBM50131058

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)OCCCCCCCCO)c(C)c1 |r|

BDBM50135031

[H][C@@]12[#6]-[#6]-[#6@H](C#CC#C[#6@H](-[#8])C34[#6]-[#6]-5-[#6]-[#6](-[#6]-[#6](-[#6]-5)-[#6]3)-[#6]4)[C@@]1([#6])[#6]-[#6]-[#6]\[#6]2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r,TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15|

BDBM50135039

[H][C@@]12[#6]-[#6]-[#6@H](C#CC#C[#6@@H](-[#8])C34[#6]-[#6]-5-[#6]-[#6](-[#6]-[#6](-[#6]-5)-[#6]3)-[#6]4)[C@@]1([#6])[#6]-[#6]-[#6]\[#6]2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r,TLB:18:13:20:17.19.16,18:17:20:12.13.14,THB:16:15:12:18.17.19,16:17:12:20.14.15|

BDBM50135094

[H][C@@]12[#6]-[#6]-[#6@H](C#CC#C[#6@H](-[#8])-[#6]C34[#6]-[#6]-5-[#6]-[#6](-[#6]-[#6](-[#6]-5)-[#6]3)-[#6]4)[C@@]1([#6])[#6]-[#6]-[#6]\[#6]2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r,TLB:19:14:21:18.20.17,19:18:21:13.14.15,THB:17:16:13:19.18.20,17:18:13:21.15.16|

BDBM50135095

[H][C@@]12[#6]-[#6]-[#6@H](C#CC#C[#6@@H](-[#8])-[#6]C34[#6]-[#6]-5-[#6]-[#6](-[#6]-[#6](-[#6]-5)-[#6]3)-[#6]4)[C@@]1([#6])[#6]-[#6]-[#6]\[#6]2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r,TLB:19:14:21:18.20.17,19:18:21:13.14.15,THB:17:16:13:19.18.20,17:18:13:21.15.16|

BDBM50135182

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)[#6@@H](-[#6])-[#6]-[#6]C(F)(F)C([#6])([#6])[#8] |r|

BDBM50135183

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]-[#6]C(F)(F)C([#6])([#6])[#8] |r|

BDBM50135184

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@@H](-[#6])-[#6]-[#6]C(F)(F)C([#6])([#6])[#8] |r|

BDBM50135185

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]-[#6]C(F)(F)C([#6])([#6])[#8] |r|

BDBM50135186

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]-[#6]-[#6]C([#6])([#6])[#8] |r|

BDBM50139645

C[C@H](CC(=O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C

BDBM50139647

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O |r|

BDBM50139646

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@]([H])(CC[C@]4(C)[C@@]3([H])CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)[C@H](C)CCC(O)=O |r|

BDBM50375596

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM53721

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM21674

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

BDBM50375599

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

BDBM50375588

C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50375583

C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OS(O)(=O)=O

BDBM21680

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O

BDBM50375582

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)C)C)C

BDBM50375564

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

BDBM50375593

C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C

BDBM50153594

Cc1ccc(c(c1)C)NC(=O)[C@H]2CN(C[C@@H]2c3nnc(n3C4CC4)C5CC(C5)CC(C)C)C(=O)C

BDBM50292629

[#6]-[#6@H](-[#6]-[#6@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50292630

[#6]-[#6@H](-[#6]-[#6@@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50184447

[H][C@@]12CC[C@]([H])([C@@](C)(O)C[C@@H](O)CC(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50184448

[H][C@@]12CC[C@]([H])([C@@](C)(O)C[C@H](O)CC(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50184449

[H][C@@]12CC[C@]([H])([C@@](C)(O)C[C@H](O)CC(C)C)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)CCC1=C |r|

BDBM50292704

[#6]-[#6@@H](\[#6]=[#6]\[#6]-[#6@@H](-[#8])-[#6]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r,TLB:11:12:10.9.15:16,THB:13:12:9:15.14.16,13:14:11.12.17:9,11:10:12.17.13:16|

BDBM50292705

[#6]-[#6@@H](\[#6]=[#6]\[#6]-[#6@@H](-[#8])C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r,TLB:10:11:9.8.14:15,THB:12:11:8:14.13.15,12:13:10.11.16:8,10:9:11.16.12:15|

BDBM50292706

[#6]-[#6@H](\[#6]=[#6]\[#6@@H](-[#8])C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r,TLB:9:10:8.7.13:14,THB:11:10:7:13.12.14,11:12:9.10.15:7,9:8:10.15.11:14|

BDBM50293092

CCCC[C@H](CCO)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50293093

CCCC[C@@H](CCO)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50293094

CCCC[C@@H](CCO)[C@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C

BDBM50293095

CCCC[C@H](CCO)[C@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50293096

CCCC[C@H](C[C@@H](O)C(C)C)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50293097

CCCC[C@H](C[C@H](O)C(C)C)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50293098

CCCC[C@@H](C[C@@H](O)C(C)C)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50293099

CCCC[C@@H](C[C@H](O)C(C)C)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50293268

[#6]-[#6@H](-[#6]-[#6]-[#6]\[#6]=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)-[#6]-[#6]-[#6]C([#6])([#6])[#8] |r|

BDBM50293269

[#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])-[#6]-[#6@H](-[#6])-[#6]\[#6]=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50293270

[#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])-[#6]-[#6@@H](-[#6])-[#6]\[#6]=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50293271

[#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])\[#6]=[#6](/[#6])-[#6]\[#6]=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50293272

[#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])\[#6]=[#6](/[#6])-[#6]\[#6]=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50257431

CC(C)(O)CCCC1(CC1)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r,t:11|

BDBM50293274

CC(C)(O)C(=O)CCC1(CC1)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r,t:12|

BDBM50293283

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@H]2OCC=C2[C@H](O)C1=C |r,c:28|

BDBM50293284

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C2=CCO[C@@H]2C1=C |r,t:27|

BDBM50185305

COc1cccc(c1)-c1nc(SC)c2ccccc2n1

BDBM50185307

COc1cccc(c1)-c1nc(OC)c2ccccc2n1

BDBM50185306

COc1cccc(c1)-c1nc2ccccc2c(=S)[nH]1

BDBM50203462

CN(C)C(=O)c1ccc2n(nc(Oc3c(Cl)cccc3C(F)(F)F)c2c1)-c1ccc(cc1)C(O)=O

BDBM50304583

[#6]C([#6])([#8])[#6]-[#6]-[#6]-[#6]-[#6@H]-1-[#6]-[#6]-[#6@@H]2-[#6@@H]-1-[#6]-[#6]-[#6]\[#6]-2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50304584

[#6]C([#6])([#8])[#6]-[#6]-[#6]-[#6]-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50304585

[#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])-[#6@H]-1-[#6]-[#6]-[#6@@H]2-[#6@@H]-1-[#6]-[#6]-[#6]\[#6]-2=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50212896

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@@H](C)COCCCC(C)(C)O

BDBM50313150

CC(C)CCN1Cc2cc(CC(C)C)c(N)cc2N[C@@H](CC(C)C)C1=O |r|

BDBM50313151

[#6]-[#6](-[#6])-[#6]-[#6]-[#7]-1-[#6]-c2cc(\[#6]=[#6](/[#6])-[#6])c(-[#7])cc2-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6]-1=O |r|

BDBM50313152

C[C@H](C[C@H]1C[C@@](C)(O)C(=O)N1CCc1ccccc1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50313153

CC(C)CCN1Cc2cc(CC(C)C)c(NCCNC(=O)OC(C)(C)C)cc2N[C@@H](CC(C)C)C1=O |r|

BDBM50313154

CC(C)CCN1Cc2cc(CC(C)C)c(NCCN)cc2N[C@@H](CC(C)C)C1=O |r|

BDBM50313155

CC(C)CCN1Cc2cc(CC(C)C)c(NCCNC(C)=O)cc2N[C@@H](CC(C)C)C1=O |r|

BDBM50313156

[#6]-[#6](-[#6])-[#6]-[#6]-[#7]-1-[#6]-c2cc(-[#6]-[#6](-[#6])-[#6])c(cc2-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6]-1=O)\[#7]=[#6](\[#7])-[#7] |r|

BDBM50323524

CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.01,-37.57,;28.39,-38.98,;26.86,-39.15,;29.3,-40.22,;30.85,-40.22,;31.33,-41.69,;30.08,-42.6,;28.83,-41.7,;27.5,-42.46,;26.16,-41.7,;24.83,-42.47,;23.48,-41.71,;22.16,-42.49,;22.17,-44.02,;20.84,-44.79,;20.84,-46.33,;19.5,-44.03,;18.17,-44.8,;18.18,-46.35,;16.84,-47.12,;15.5,-46.35,;15.51,-44.81,;16.84,-44.04,;14.17,-47.12,;12.84,-46.35,;14.17,-48.66,;23.5,-44.79,;24.83,-44.01,;23.5,-46.33,;22.17,-47.1,;24.84,-47.1,;23.49,-47.86,;30.09,-44.13,;31.42,-44.89,;32.75,-44.11,;31.43,-46.43,;30.1,-47.21,;28.76,-46.45,;28.75,-44.91,;27.42,-44.14,)|

BDBM50323530

CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(21.34,-24.3,;21.34,-22.76,;20,-21.99,;18.67,-22.77,;17.33,-22,;16,-22.77,;16,-24.32,;17.34,-25.09,;18.67,-24.32,;17.34,-26.63,;16,-27.4,;18.67,-27.4,;22.67,-21.98,;22.65,-20.45,;23.98,-19.67,;25.32,-20.44,;26.66,-19.66,;28,-20.43,;29.32,-19.66,;29.79,-18.19,;31.35,-18.19,;31.83,-19.65,;30.58,-20.57,;30.59,-22.1,;31.92,-22.86,;33.25,-22.08,;31.93,-24.4,;30.6,-25.18,;29.26,-24.41,;29.25,-22.87,;27.92,-22.11,;28.88,-16.95,;28.71,-15.42,;27.47,-16.33,;25.33,-21.98,;24,-22.75,;24,-24.29,;22.67,-25.06,;25.34,-25.06,;23.99,-25.83,)|

BDBM50323533

CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-1.96,-48.67,;-1.97,-47.13,;-3.3,-46.37,;-4.63,-47.14,;-4.63,-48.69,;-5.97,-49.46,;-7.3,-48.69,;-7.3,-47.15,;-5.97,-46.38,;-8.63,-49.46,;-9.97,-48.69,;-8.64,-51,;-.64,-46.36,;-.65,-44.83,;.68,-44.05,;2.02,-44.81,;3.36,-44.04,;4.7,-44.81,;6.02,-44.04,;6.49,-42.57,;8.04,-42.56,;8.53,-44.03,;7.28,-44.94,;7.28,-46.48,;8.62,-47.24,;9.94,-46.46,;8.63,-48.77,;7.29,-49.55,;5.96,-48.79,;5.95,-47.25,;4.61,-46.48,;5.58,-41.33,;5.41,-39.8,;4.17,-40.71,;2.03,-46.35,;.7,-47.13,;.7,-48.67,;-.63,-49.44,;2.03,-49.44,;.68,-50.21,)|

BDBM50320737

[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccccc1-[#7])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|

BDBM50329614

[#6]-[#6@H](\[#6]=[#6](/[#6])\[#6]=[#6]\[#6](=O)-[#7]-c1ccccc1-[#7])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|

BDBM50353860

CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)\C(=C/CCO)[C@H](O)C1=C |r|

BDBM50353861

CC[C@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)\C(=C/CCO)[C@H](O)C1=C |r|

BDBM50353862

CCC(C)(C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)\C(=C/CCO)[C@H](O)C1=C |r|

BDBM50353863

CC(C)C[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)\C(=C/CCO)[C@H](O)C1=C |r|

BDBM50353864

CC(C)C[C@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)\C(=C/CCO)[C@H](O)C1=C |r|

BDBM50354986

CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(OC(CCO)CCO)c(C)c1 |r|

BDBM50354987

CCC(CC)(c1ccc(OCC(CO)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|

BDBM50354988

CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@@H](CO)[C@@H](O)CO)c(C)c1 |r|

BDBM50354989

CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@H](CO)[C@H](O)CO)c(C)c1 |r|

BDBM50354990

CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@@H](CO)CCO)c(C)c1 |r|

BDBM50354991

CCC(CC)(c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1)c1ccc(O[C@H](CO)CCO)c(C)c1 |r|

BDBM50233325

CCn1c(ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1)C(=O)NCCCO

BDBM50233326

CCn1cc(cc1C(=O)N[C@@H](C)CO)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1 |r|

BDBM50233327

CCN(CC)CCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1

BDBM50233328

CCN(CC)CCNC(=O)c1cc(cn1CC)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1

BDBM50233329

CCN(CC)CCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1

BDBM50233330

[H][C@@]12CCC(C(C)CCCC(C)(C)O)[C@@]1(C)CCC\C2=C/C=C1/C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50233331

CCn1c(ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1)C(=O)NCCC(=O)OC

BDBM50233332

CCN(CC)CCCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1

BDBM50233333

CCn1c(ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1)C(=O)NCc1ccc(OC)cc1

BDBM50233334

CCn1c(ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1)C(=O)OCCC#C

BDBM50233335

CCCCC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1

BDBM50233336

CCn1c(ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1)C(=O)NCC(O)=O

BDBM50233337

CCn1c(ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1)C(=O)N[C@@H](C(C)C)C(O)=O |r|

BDBM50233338

CCn1c(ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1)C(=O)NCCC(O)=O

BDBM50233339

CCn1cc(cc1C(=O)NCC(=O)OC)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1

BDBM50233340

CCn1cc(cc1C(=O)NCCN(C)C)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1

BDBM50233342

CCn1cc(cc1C(=O)NCCCN(C)C)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1

BDBM50233343

CCn1cc(cc1C(=O)OCCO)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1

BDBM50233344

CCn1cc(cc1C(=O)NCC(O)=O)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1

BDBM50233345

CCn1cc(cc1C(=O)NCCC(O)=O)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1

BDBM50233346

CCn1cc(cc1C(=O)N[C@H](C(C)C)C(O)=O)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1 |r|

BDBM50233347

CCn1c(ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1)C(=O)On1nnc2ccccc12

BDBM50233348

CCCCC(=O)c1cc(cn1CC)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1

BDBM50233349

CCn1cc(cc1C(=O)N[C@@H](C(C)C)C(O)=O)C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1 |r|

BDBM50359362

[#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])-[#6]C([#6])([#6])[#6]\[#6]=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50359363

[#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])-[#6]C([#6])([#6])[#6]\[#6]=[#6]/[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50241802

BDBM50241803

BDBM50241804

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]-[#6]-[#6]-[#6](=O)-c1ccc(-[#8])cc1 |r|

BDBM50241810

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]-[#6]-[#6]-[#6](-[#8]-[#6])-c1ccc(-[#8])cc1 |r|

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]-[#6]-[#6]-[#6](-[#8])-c1ccc(-[#8])cc1 |r|

BDBM50242220

CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|

BDBM50242218

CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NCCC(=O)NC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)NCC(NC(=O)[C@H](CC(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|

BDBM50242219

CC[C@H](C)[C@@H]1NC(=O)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)NCC(NC(=O)C(CC(C)(C)C)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)(C)C)C(=O)NC(CC(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(N)=O |r|

BDBM50254160

[H][C@]12C[C@@H](CCCC(C)(C)O)[C@@]1(O)[C@@]1(C)CC[C@]3([H])c4ccc(O)cc4CC[C@@]3([H])[C@]1([H])C2 |r|

BDBM50254164

[H][C@@]12CC[C@@]3(C[C@H]3CCCC(C)(C)O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] |r|

BDBM50254165

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CCc4cc(O)ccc4[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)(C)O |r|

BDBM50369964

C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50102248

C[C@@H](COc1ccc(cc1)C(C)(C)O)C1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50102251

C[C@@H](CSc1ccc(cc1)C(C)(C)O)C1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50256340

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NCCCN1CCOCC1

BDBM50256289

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)N(CCC#N)CCC#N

BDBM50256290

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)N(C)CC=C

BDBM50256291

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)OCCC#C

BDBM50256292

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)Oc1ccc(CC(=O)OC)cc1

BDBM50256293

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1

BDBM50256294

CCOc1ccc(NC(=O)c2ccc(n2CC)C(CC)(CC)c2ccc(OCCC(O)(CC)CC)c(C)c2)cc1

BDBM50256295

CCC(C)C(NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)OC

BDBM50256296

CCOC(=O)C(CC(=O)OC)NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1

BDBM50256297

CCC(C)C(NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(O)=O

BDBM50256336

CCN(CC)CCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1

BDBM50256308

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NC(C)C(O)=O

BDBM50256309

CCC(C)C(CO)NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1

BDBM50256310

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)N(C)CCO

BDBM50256333

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NC(C)CO

BDBM50256334

CCN(CC)CCCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1

BDBM50256307

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)N(C)CC(O)=O

BDBM50256338

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NC(C)CO

BDBM50256339

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NCCCN(C)C

BDBM50256337

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NCC#N

BDBM50256341

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NCCN(C)C

BDBM50256342

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NCCN

BDBM50256343

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)OC(C)C#C

BDBM50256344

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50256345

CCOC(=O)CN(C)C(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1

BDBM50256346

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NC(CC(O)=O)C(=O)OC

BDBM50256347

CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)NC(CO)CCO

BDBM50205233

CC[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50205234

C[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50205235

CCCC[C@H](CCC(C)(C)O)[C@H](C)[C@H]1CCC2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50292315

C[C@H](CCCC(C)(C)O)C1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C2=CCCO[C@@H]2C1 |w:9.9,t:27|

BDBM50292316

C[C@H](CCCC(C)(C)O)C1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C2=CCCO[C@@H]2C1 |w:9.9,t:27|

BDBM50375808

[#6]-[#6@@H](-[#6]-[#6@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1

BDBM50375809

[#6]-[#6@@H](-[#6]-[#6@@H]-1-[#6]-[#6](=[#6])-[#6](=O)-[#8]-1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1

BDBM50320735

C[C@H](\C=C(/C)\C=C\C(=O)NO)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@@H](O)C1 |r|

BDBM50320736

[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#8])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|

BDBM50320741

[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccccc1-[#7])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|

BDBM50320738

[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#16])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|

BDBM50320742

[#6]-[#6@H](-[#6]-[#6]-[#6]-[#7]S([#6])(=O)=O)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|

BDBM50320743

[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]S([#6])(=O)=O)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|

BDBM50320744

[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]S(=O)(=O)C(F)(F)F)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|

BDBM50320745

[#6]-[#6]-[#6]-[#6]S(=O)(=O)[#7]-[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|

BDBM50320746

[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]S(=O)(=O)c1ccccc1)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|

BDBM50320747

[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]S([#7])(=O)=O)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|

BDBM50320748

[#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]S([#7])(=O)=O)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|

BDBM50329709

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)CCCc2ccccc2)c(C)c1 |r|

BDBM50329710

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)CCCCc2ccccc2)c(C)c1 |r|

BDBM50329711

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 |r,TLB:29:30:27.28.33:34,THB:29:28:34:35.30.31,31:30:27:33.32.34,31:32:27:35.29.30|

BDBM50329712

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)Cc2ccc3ccccc3c2)c(C)c1 |r|

BDBM50329713

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)Cc2ccccc2)c(C)c1 |r|

BDBM50329714

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCc2ccccc2)c(C)c1 |r|

BDBM50329715

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCCc2ccccc2)c(C)c1 |r|

BDBM50329718

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCCCc2ccccc2)c(C)c1 |r|

BDBM50329719

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C23CC4CC(CC(C4)C2)C3)c(C)c1 |r,THB:24:26:29:33.32.31,34:26:29:33.32.31,34:32:26.27.35:29,31:30:27:33.32.34,31:32:27:35.29.30|

BDBM50329720

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)Cc2ccc3ccccc3c2)c(C)c1 |r|

BDBM50329721

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(Cc3ccccc3)C[C@@H]2O)c(C)c1 |r|

BDBM50329716

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(C[C@@H]2O)C(=O)OCc2ccccc2)c(C)c1 |r|

BDBM50329717

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)Cc2ccccc2)c(C)c1 |r|

BDBM50329708

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)CCc2ccccc2)c(C)c1 |r|

BDBM50388434

[#6]-[#6@@H](-[#6]-[#6]-[#6]C([#6])([#6])[#8])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50388435

[#6]-[#6@H](-[#6]-[#6]C([#6])([#6])[#8])-[#6@@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50388436

[#6]-[#6@@H](-[#6]-[#6]C([#6])([#6])[#8])-[#6@@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50388437

[#6]-[#6@@H](-[#6]-[#6]C([#6])([#6])[#8])-[#6@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50388438

[#6]-[#6@H](-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)C([#6])([#6])[#6]-[#6]C([#6])([#6])[#8] |r|

BDBM50388439

[#6]-[#6@@H](-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)C([#6])([#6])[#6]-[#6]C([#6])([#6])[#8] |r|

BDBM50388440

[#6]-[#6@H](-[#6]-[#6]C([#6])([#6])[#8])-[#6@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50388528

[#6]-[#6]C([#8])([#6]-[#6])[#6]-[#6]-[#6@@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50388529

[#6]-[#6]-[#6@@H](-[#6]C([#8])([#6]-[#6])[#6]-[#6])-[#6@@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50388530

[#6]-[#6]-[#6]-[#6]-[#6@@H](-[#6]C([#8])([#6]-[#6])[#6]-[#6])-[#6@@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50389847

Cc1[nH]c2ccccc2c1C(Sc1ccccc1)c1ccccc1Cl

BDBM50389849

Cn1cc(C(Nc2ccccc2)c2ccccc2Cl)c2ccccc12

BDBM50389850

Cc1[nH]c2ccccc2c1C(Nc1ccc(cc1)C(F)(F)F)c1ccccc1Cl

BDBM50389852

Cc1[nH]c2ccccc2c1C(Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1Cl

BDBM50389853

CN(C)c1ccc(NC(c2c(C)[nH]c3ccccc23)c2ccccc2Cl)cc1

BDBM50389862

CN(C)c1ccc(cc1)C(Nc1ccccc1)c1c(C)[nH]c2ccccc12

BDBM50389867

Cc1cccc(c1)N1COc2ccc3ccccc3c2C1

BDBM50389868

CCCCNC(=O)Cn1sc2nc(C)cc(C)c2c1=O

BDBM50389869

COCC(=O)Oc1c(Sc2ccc(Cl)cc2)c(C)nn1-c1ccccc1

BDBM60445

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

BDBM50389870

Clc1ccc(Cn2c(C=O)nc3ccccc23)c(Cl)c1

BDBM50389871

O=Cc1nc2ccccc2n1Cc1ccc2ccccc2c1

BDBM50389872

Cc1c(C=O)c(C(O)=O)c(C)n1Cc1ccc(Cl)cc1

BDBM50389873

COc1ccc(OC)c(c1)S(=O)(=O)ON1C(=O)c2ccccc2C1=O

BDBM50389874

Cc1ccc(cc1)S(=O)(=O)ON1C(=O)c2ccccc2C1=O

BDBM50389875

Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1cccc(F)c1

BDBM50389876

Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1cccc(Cl)c1

BDBM50389877

Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1ccc(F)cc1

BDBM50389879

Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1ccc(Br)cc1

BDBM50389880

Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1cccc(Br)c1

BDBM50389881

COc1cccc(c1)C(Nc1ccccn1)c1c(C)[nH]c2ccccc12

BDBM50389882

Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1ccc(C)cc1

BDBM50389884

COc1ccc(cc1)C(Nc1ccccn1)c1c(C)[nH]c2ccccc12

BDBM50396056

[#6]-[#6@H](\[#6]=[#6]\[#6]-[#6@H](-[#8])-[#6]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r,TLB:7:8:11:15.13.14,THB:13:12:9:15.14.16,13:14:11.12.17:9,16:14:11:17.8.9,16:8:11:15.13.14|

BDBM50397073

CC\C(=C/C=C/C(O)(C(F)(F)F)C(F)(F)F)c1cccc(OCc2ccc(CO)c(CO)c2)c1

BDBM50397075

CC\C(=C/C=C/C(O)(CC)CC)c1cccc(OCc2ccc(CO)c(CO)c2)c1

BDBM50397076

CCCc1cc(ccc1-c1cc(OCc2ccc(CO)c(CO)c2)ccc1CC)C(O)(CC)CC

BDBM50397077

CCCc1cc(ccc1-c1cc(CCc2ccc(CO)c(CO)c2)ccc1C)C(O)(CC)CC

BDBM50397221

C[C@H](CCCO)[C@H]1CC[C@H]2\C(CC[C@@H](CCCCCCC(C)(C)O)[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50397222

C[C@H](CCO)[C@H]1CC[C@H]2\C(CC[C@@H](CCCCCCC(C)(C)O)[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50397223

C[C@H](CO)[C@H]1CC[C@H]2\C(CC[C@@H](CCCCCCC(C)(C)O)[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|

BDBM50404242

C[C@H](C[C@@H]1C[C@@](C)(O)C(=O)N1Cc1ccccc1)C1CCC2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50404243

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)C[C@@H]1C[C@@](C)(O)C(=O)N1C

BDBM50281163

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]-[#6]-[#6](=O)C#C\[#6]=[#6]\[#6] |r|

BDBM50281164

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]-[#6]-[#6](=O)-[#6]=[#6] |r|

BDBM50281165

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]-[#6]-[#6](=O)\[#6]=[#6]\[#6] |r|

BDBM50281166

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6](=O)\[#6]=[#6]\[#6]=[#6]\[#6] |r|

BDBM50281389

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CC#C[C@H](O)C12CC3CC(CC(C3)C1)C2 |r,TLB:33:34:32.31.37:38,THB:35:34:31:37.36.38,35:36:33.34.39:31,33:32:34.39.35:38|

BDBM50281390

C[C@H](CC#C[C@H](C12CC3CC(C1)CC(C3)C2)O)[C@H]4CC[C@@H]\5[C@@]4(CCC/C5=C\C=C/6\C[C@H](C[C@@H](C6=C)O)O)C

BDBM50409926

CCCCOC(=O)C1(CC1)[C@H](O)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50409927

CCOC(=O)\C=C\C1(CC1)[C@H](O)\C=C\[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50410853

COc1ccc(CN2[C@@H](C[C@@H](C)[C@H]3CCC4\C(CCC[C@]34C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)C[C@](C)(O)C2=O)cc1

BDBM50410854

CC(C)N1[C@@H](C[C@@H](C)[C@H]2CCC3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)C[C@](C)(O)C1=O

BDBM50411103

CC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411104

CCCC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411105

CCC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411106

C[C@H](C[C@H]1OC(=O)C(=C)C11CCCC1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50411107

CCCC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411108

CCCC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411109

CC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411110

CCC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411111

CCC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411112

CC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411113

CC(C)C[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411114

C[C@H](C[C@H]1OC(=O)C(=C)[C@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](C)[C@H](O)C1=C

BDBM50411115

C[C@H](C[C@@H]1OC(=O)C(=C)[C@@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](OCCCO)[C@H](O)C1=C

BDBM50411116

CC(C)C[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411102

CCCC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411117

CC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411118

CC(C)C[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411119

CC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411120

CCC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411121

CC(C)C[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411122

CC(C)C[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411123

CC(C)C[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411124

C[C@H](C[C@@H]1OC(=O)C(=C)[C@@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCCO)[C@H](O)C1=C

BDBM50411125

CC(C)C[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411126

CCC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411127

CCC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411128

C[C@H](C[C@@H]1OC(=O)C(=C)[C@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](C)[C@H](O)C1=C

BDBM50411129

CCCC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411130

CC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411131

CC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411132

C[C@H](C[C@H]1OC(=O)C(=C)C1(C)C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50411133

C[C@H](C[C@H]1OC(=O)C(=C)[C@@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](OCCCO)[C@H](O)C1=C

BDBM50411134

CC(C)C[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411135

CCCC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411136

CCC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411137

CCC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411138

CCCC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411139

CC(C)C[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411140

CC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411141

CC(C)C[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411142

CCC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411143

CCC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411144

C[C@H](C[C@@H]1OC(=O)C(=C)[C@@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](C)[C@H](O)C1=C

BDBM50411145

CC(C)C[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411146

CC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411147

CCCC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411148

CCCC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411149

CC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411150

C[C@H](C[C@H]1OC(=O)C(=C)[C@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](OCCCO)[C@H](O)C1=C

BDBM50411151

CCCC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411152

CC(C)C[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411153

CCCC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411154

CCCC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411155

C[C@H](C[C@H]1OC(=O)C(=C)[C@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50411156

C[C@H](C[C@H]1OC(=O)C(=C)[C@@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50411157

C[C@H](C[C@H]1OC(=O)C(=C)[C@@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCCO)[C@H](O)C1=C

BDBM50411158

C[C@H](C[C@H]1OC(=O)C(=C)[C@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCCO)[C@H](O)C1=C

BDBM50411159

C[C@H](C[C@@H]1OC(=O)C(=C)[C@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCCO)[C@H](O)C1=C

BDBM50411160

CC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411161

C[C@H](C[C@@H]1OC(=O)C(=C)[C@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](OCCCO)[C@H](O)C1=C

BDBM50411162

CC(C)C[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411163

CC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411164

C[C@H](C[C@@H]1CC(=C)C(=O)O1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50411165

CCC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411166

CC(C)C[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411167

CC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411168

CCCC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411169

C[C@H](C[C@H]1CC(=C)C(=O)O1)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50411170

CC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411171

CC(C)C[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411172

C[C@H](C[C@H]1OC(=O)C(=C)[C@@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](C)[C@H](O)C1=C

BDBM50411173

CC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411174

CCC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411175

CC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411176

CCC[C@@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411177

CC(C)C[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411178

C[C@H](C[C@@H]1OC(=O)C(=C)[C@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50411179

CCCC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411180

C[C@H](C[C@@H]1OC(=O)C(=C)[C@@H]1C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50411181

CCCC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)C[C@H](O)C2=C)OC(=O)C1=C

BDBM50411182

CCC[C@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411183

CCC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411184

CCC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](C)[C@H](O)C2=C)OC(=O)C1=C

BDBM50411185

CCCC[C@H]1[C@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](OCCCO)[C@H](O)C2=C)OC(=O)C1=C

BDBM50244164

CCC(O)(CC)CS[C@@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(OCCO)[C@H](O)C1 |r,wU:18.20,24.26,13.12,wD:8.8,31.33,t:10,(-2.98,-21.45,;-4.09,-22.51,;-3.73,-24.01,;-2.25,-23.6,;-3.37,-25.51,;-1.89,-25.94,;-5.24,-24.32,;-6.26,-23.17,;-7.77,-23.48,;-8.79,-22.33,;-8.26,-24.94,;-7.36,-26.19,;-8.27,-27.42,;-9.73,-26.94,;-11.05,-27.7,;-12.4,-26.94,;-12.39,-25.39,;-11.05,-24.63,;-9.72,-25.4,;-9.73,-23.86,;-11.05,-29.24,;-12.4,-30.01,;-12.4,-31.55,;-11.05,-32.33,;-11.05,-33.87,;-9.72,-34.64,;-12.4,-34.63,;-12.4,-36.17,;-11.05,-36.94,;-9.72,-36.17,;-8.38,-36.94,;-13.71,-33.87,;-15.06,-34.64,;-13.71,-32.33,)|

BDBM50417513

C[C@H](O)CCC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C(=C)[C@H](O)C1=C |r|

BDBM50417514

[#6]-[#6@@H](-[#8])-[#6]-[#6]-[#6]-[#6@@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50417515

[#6]-[#6@@H](-[#8])-[#6]-[#6]-[#6]-[#6@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|

BDBM50417516

[H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)C(C)[C@H](O)C1)[C@H](C)CCC[C@H](C)O |r,wU:16.18,10.12,18.20,wD:20.22,4.4,1.0,23.26,28.32,@:18,(-2.52,-29.03,;-4,-29.43,;-3.11,-30.68,;-4.02,-31.92,;-5.47,-31.43,;-5.48,-32.97,;-6.8,-32.2,;-8.14,-31.43,;-8.13,-29.89,;-6.79,-29.12,;-5.46,-29.9,;-5.48,-28.36,;-6.8,-33.74,;-8.13,-34.51,;-8.13,-36.05,;-6.8,-36.83,;-6.8,-38.37,;-5.47,-39.14,;-8.13,-39.13,;-8.13,-40.67,;-9.46,-38.37,;-10.79,-39.14,;-9.46,-36.83,;-4.02,-27.89,;-5.36,-27.14,;-2.66,-27.16,;-1.35,-27.98,;0,-27.25,;1.31,-28.06,;2.67,-27.33,;1.31,-29.6,)|

BDBM50417517

C[C@H](O)CCC[C@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)[C@H](O)C1 |r,wU:22.24,11.10,16.18,8.7,6.6,wD:26.28,1.1,(14.49,-28.73,;13.13,-29.45,;13.13,-30.99,;11.83,-28.64,;10.47,-29.37,;9.16,-28.56,;7.8,-29.29,;6.46,-28.53,;7.82,-30.83,;8.71,-32.07,;7.8,-33.31,;6.35,-32.82,;5.03,-33.59,;3.68,-32.83,;3.69,-31.28,;5.03,-30.51,;6.36,-31.29,;6.35,-29.75,;5.03,-35.13,;3.69,-35.9,;3.69,-37.44,;5.02,-38.22,;5.02,-39.76,;6.36,-40.53,;3.69,-40.52,;3.69,-42.06,;2.36,-39.76,;1.03,-40.53,;2.36,-38.22,)|

BDBM50417518

[H][C@@]1(CC[C@@]2([H])C(CCC[C@]12C)=CC=C1C[C@@H](O)C(C)[C@H](O)C1)[C@H](C)CCC[C@@H](C)O |r,wU:16.18,10.12,18.20,28.32,wD:20.22,4.4,1.0,23.26,@:18,(22,-29.84,;20.52,-30.25,;21.41,-31.5,;20.5,-32.73,;19.05,-32.25,;19.04,-33.79,;17.73,-33.02,;16.38,-32.25,;16.39,-30.71,;17.73,-29.94,;19.06,-30.72,;19.05,-29.17,;17.73,-34.56,;16.39,-35.33,;16.39,-36.87,;17.72,-37.64,;17.72,-39.18,;19.06,-39.96,;16.39,-39.95,;16.39,-41.49,;15.07,-39.18,;13.73,-39.96,;15.07,-37.64,;20.5,-28.71,;19.16,-27.96,;21.86,-27.98,;23.17,-28.79,;24.53,-28.07,;25.84,-28.88,;27.19,-28.15,;25.83,-30.41,)|

BDBM50417519

C[C@@H](O)CCC[C@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1C[C@@H](O)C(C)[C@H](O)C1 |r,wU:22.24,11.10,16.18,8.7,6.6,1.1,wD:26.28,(1.96,-41.79,;.6,-42.52,;.6,-44.06,;-.7,-41.71,;-2.06,-42.44,;-3.37,-41.62,;-4.73,-42.35,;-6.07,-41.6,;-4.71,-43.89,;-3.82,-45.14,;-4.73,-46.37,;-6.18,-45.89,;-7.5,-46.66,;-8.85,-45.89,;-8.84,-44.35,;-7.5,-43.58,;-6.17,-44.36,;-6.18,-42.82,;-7.5,-48.2,;-8.84,-48.97,;-8.84,-50.51,;-7.51,-51.29,;-7.51,-52.83,;-6.17,-53.6,;-8.84,-53.59,;-8.84,-55.13,;-10.17,-52.83,;-11.51,-53.6,;-10.17,-51.29,)|

BDBM50417520

C[C@H](O)CCC[C@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C(=C)[C@H](O)C1=C |r|

BDBM50410547

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](C[C@@H](C3=C)O)O)C

BDBM50410548

[#6]-[#6](\[#6]=[#6](/[#6])\[#6]=[#6]\[#6](=O)-[#7]-[#8])-[#6]1-[#6]-[#6]-[#6]2\[#6](-[#6]-[#6]-[#6]C12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6](-[#8])-[#6]-[#6](-[#8])-[#6]-1

BDBM50067040

COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O |w:12.11,5.4|

BDBM50426938

CCOC(=O)c1ccc(c(OCCO)c1)-c1cc2CN(CCC(C)C)C(=O)[C@H](CC(C)C)Nc2cc1N |r|

BDBM50426939

CC(C)CCN1Cc2cc(c(N)cc2N[C@@H](CC(C)C)C1=O)-c1ccc(cc1)C(O)=O |r|

BDBM50426940

CCOC(=O)c1ccc(cc1)-c1cc2CN(CCC(C)C)C(=O)[C@H](CC(C)C)Nc2cc1N |r|

BDBM50426941

CC(C)CCN1Cc2cc(c(N)cc2N[C@@H](CC(C)C)C1=O)-c1ccccc1 |r|

BDBM50426942

CCCCCc1cc2CN(CCC(C)C)C(=O)[C@H](CC(C)C)Nc2cc1N |r|

BDBM50426943

CCCCc1cc2CN(CCC(C)C)C(=O)[C@H](CC(C)C)Nc2cc1N |r|

BDBM50426944

CC\C=C\c1cc2CN(CCC(C)C)C(=O)[C@H](CC(C)C)Nc2cc1N |r|

BDBM50426945

CC(C)CCN1Cc2cc(I)c(N)cc2N[C@@H](CC(C)C)C1=O |r|

BDBM50426946

CC(C)CCN1Cc2ccc(N)cc2N[C@@H](CC(C)C)C1=O |r|

BDBM50426947

CC(C)CCN1Cc2cc(CCCO)ccc2N[C@@H](CC(C)C)C1=O |r|

BDBM50426948

CC(C)CCN1Cc2cc(\C=C\CCO)ccc2N[C@@H](CC(C)C)C1=O |r|

BDBM50426949

CC(C)CCN1Cc2cc(\C=C\CO)ccc2N[C@@H](CC(C)C)C1=O |r|

BDBM50426950

CC(C)CCN1Cc2cc(CC(C)C)ccc2N[C@@H](CC(C)C)C1=O |r|

BDBM50426951

CCC(=C)c1ccc2N[C@@H](CC(C)C)C(=O)N(CCC(C)C)Cc2c1 |r|

BDBM50426952

CC(C)CCN1Cc2cc(I)ccc2N[C@@H](CC(C)C)C1=O |r|

BDBM50426953

CC(C)CCN1Cc2ccccc2N[C@@H](CC(C)C)C1=O |r|

BDBM50430759

CC[Si](CC)(c1ccc(OCC2CO2)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM50431523

CN(CC(=O)N1CCN(CC1)c1ccccc1F)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431524

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

BDBM50431525

CN(CC(=O)N1CCN(CC1)c1ccccc1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431526

CN(CC(=O)N1CCC(CC1)c1ccccc1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431527

CN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431528

CN(CC(=O)N(C)Cc1cccc(F)c1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431529

CN(CC(=O)N(C)Cc1ccccc1F)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431530

CN(CC(=O)N(C)Cc1ccccc1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431531

CCCN(C(=O)CN(C)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O)c1ccccc1

BDBM50431532

CN(CC(=O)N1CCc2ccccc2C1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431533

CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O |TLB:5:6:9:13.11.12,THB:11:10:7:13.12.14,11:12:9.10.15:7,14:12:9:15.6.7,14:6:9:13.11.12|

BDBM50431534

CC1Cc2ccccc2N1C(=O)CCCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431535

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCCC(=O)N1Cc2ccccc2C1

BDBM50431536

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCCC(=O)N1CCc2ccccc12

BDBM50431537

CC1CCN(CC1)C(=O)CCCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431538

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCCC(=O)N1CCCCC1

BDBM50431539

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCCC(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F

BDBM50431540

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCCC(=O)N1CCN(CC1)c1ccc(F)cc1

BDBM50431541

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCCC(=O)N1CCN(CC1)c1ccccc1F

BDBM50431542

Cc1ccc(cc1)N1CCN(CC1)C(=O)CCCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431543

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCCC(=O)N1CCN(CC1)c1ccccc1

BDBM50431544

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCCC(=O)N1CCC(CC1)c1ccccc1

BDBM50431545

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCCC(=O)N(Cc1ccccc1)Cc1ccccc1

BDBM50431546

CN(Cc1cccc(F)c1)C(=O)CCCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431547

CN(Cc1ccccc1F)C(=O)CCCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431548

CN(Cc1ccccc1)C(=O)CCCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431549

CCCN(C(=O)CCCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O)c1ccccc1

BDBM50431550

CN(C(=O)CCCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O)c1ccccc1

BDBM50431551

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCCC(=O)N1CCc2ccccc2C1

BDBM50431552

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCCC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:21:22:25:29.27.28,THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28|

BDBM50431553

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCC(=O)N1CCCc2ccccc12

BDBM50431554

CC1Cc2ccccc2N1C(=O)CCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431555

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCC(=O)N1Cc2ccccc2C1

BDBM50431556

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCC(=O)N1CCc2ccccc12

BDBM50431557

CC1CCN(CC1)C(=O)CCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431558

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCC(=O)N1CCCCC1

BDBM50431559

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCC(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F

BDBM50431560

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCC(=O)N1CCN(CC1)c1ccc(F)cc1

BDBM50431561

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCC(=O)N1CCN(CC1)c1ccccc1F

BDBM50431562

Cc1ccc(cc1)N1CCN(CC1)C(=O)CCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431563

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCC(=O)N1CCN(CC1)c1ccccc1

BDBM50431564

CC(C)N(C(C)C)C(=O)CCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431565

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCC(=O)N1CCC(CC1)c1ccccc1

BDBM50431566

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCC(=O)N(Cc1ccccc1)Cc1ccccc1

BDBM50431567

CN(Cc1cccc(F)c1)C(=O)CCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431568

CN(Cc1ccccc1F)C(=O)CCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431569

CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431570

CCCN(C(=O)CCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O)c1ccccc1

BDBM50431571

CN(C(=O)CCNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O)c1ccccc1

BDBM50431572

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCC(=O)N1CCc2ccccc2C1

BDBM50431573

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:20:21:24:28.26.27,THB:26:25:22:28.27.29,26:27:24.25.30:22,29:27:24:30.21.22,29:21:24:28.26.27|

BDBM50431574

CN1CCN(CC1)C(=O)CNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431575

CC1CCN(CC1)C(=O)CNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431576

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCC(=O)N1CCCCC1

BDBM50431577

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCC(=O)N1CCN(CC1)c1ccc(cc1)C(F)(F)F

BDBM50431578

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCC(=O)N1CCN(CC1)c1ccc(F)cc1

BDBM50431579

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCC(=O)N1CCN(CC1)c1ccccc1F

BDBM50431580

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCC(=O)N1CCN(CC1)c1ccccc1

BDBM50431581

CC(C)N(C(C)C)C(=O)CNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431582

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCC(=O)N1CCC(CC1)c1ccccc1

BDBM50431583

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCC(=O)N(Cc1ccccc1)Cc1ccccc1

BDBM50431584

CN(Cc1cccc(F)c1)C(=O)CNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431585

CN(Cc1ccccc1F)C(=O)CNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431586

CN(Cc1ccccc1)C(=O)CNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431587

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCC(=O)N(Cc1ccccc1)c1ccccc1

BDBM50431588

CCCN(C(=O)CNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O)c1ccccc1

BDBM50431589

CN(C(=O)CNC(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O)c1ccccc1

BDBM50431590

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCC(=O)N1CCc2ccccc2C1

BDBM50431591

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCC(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:19:20:23:27.25.26,THB:25:24:21:27.26.28,25:26:23.24.29:21,28:26:23:29.20.21,28:20:23:27.25.26|

BDBM50431592

CC1Cc2ccccc2N1C(=O)C1CCN(CC1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431593

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)N1CCC(CC1)C(=O)N1Cc2ccccc2C1

BDBM50431594

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)N1CCC(CC1)C(=O)N1CCc2ccccc12

BDBM50431595

CN1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431596

CC1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431597

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)N1CCC(CC1)C(=O)N1CCCCC1

BDBM50431598

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccc(F)cc1

BDBM50431599

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccccc1F

BDBM50431600

Cc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431601

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccccc1

BDBM50431602

CC(C)N(C(C)C)C(=O)C1CCN(CC1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431603

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)N1CCC(CC1)C(=O)N1CCC(CC1)c1ccccc1

BDBM50431604

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)N1CCC(CC1)C(=O)N(Cc1ccccc1)Cc1ccccc1

BDBM50431605

CN(Cc1cccc(F)c1)C(=O)C1CCN(CC1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431606

CN(Cc1ccccc1F)C(=O)C1CCN(CC1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431607

CN(Cc1ccccc1)C(=O)C1CCN(CC1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431608

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)N1CCC(CC1)C(=O)N(Cc1ccccc1)c1ccccc1

BDBM50431609

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)N1CCC(CC1)C(=O)N1CCc2ccccc2C1

BDBM50431610

CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)N1CCC(CC1)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:23:24:27:31.29.30,THB:29:28:25:31.30.32,29:30:27.28.33:25,32:30:27:33.24.25,32:24:27:31.29.30|

BDBM50431611

CC1Cc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431612

CN(CC(=O)N1Cc2ccccc2C1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431613

CN(CC(=O)N1CCc2ccccc12)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431614

CC1CCN(CC1)C(=O)CN(C)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431615

CN(CC(=O)N1CCCCC1)C(=O)c1ccc(c(c1)[N+]([O-])=O)S(C)(=O)=O

BDBM50431616

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

BDBM50431617

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

BDBM50437333

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2ccnc2)[C@H](O)C1=C |r|

BDBM50437334

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2ccnn2)[C@H](O)C1=C |r|

BDBM50437335

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2nccn2)[C@H](O)C1=C |r|

BDBM50437336

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)[C@H](CCn2cncn2)[C@H](O)C1=C |r|

BDBM50437337

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCn4cnnn4)O)C

BDBM50437338

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@@H]([C@@H](C3=C)O)CCn4ncnn4)O)C

BDBM50437735

CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOCC(O)C(O)COCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC1=O)C(O)=O |r|

BDBM50437736

CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOCCCCOCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC1=O)C(O)=O |r|

BDBM50437737

CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCOCCCCOC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC1=O)C(O)=O |r|

BDBM50437738

CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1COCCCCOC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC1=O)C(O)=O |r|

BDBM50437739

CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1COCCCCOC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC1=O)C(O)=O |r|

BDBM50437740

CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1COCCCCOC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC1=O)C(O)=O |r|

BDBM50437741

CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1COCCCCOC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC1=O)C(O)=O |r|

BDBM50441499

[#6]-[#6@@H](-[#6]-[#8]-[#6@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)C([#6])([#6])[#8] |r|

BDBM50441892

CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C

BDBM50441893

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N[C@@H](C)C(O)=O |r|

BDBM50441894

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCC(O)=O

BDBM50441895

CCC(CC)(c1ccc(C(=O)NCCC(O)=O)n1C)c1ccc(OCC(O)C(C)(C)C)c(C)c1

BDBM50441896

CCC(CC)(c1ccc(C(=O)NCC(O)=O)n1C)c1ccc(OCC(O)C(C)(C)C)c(C)c1

BDBM50441897

CCC(CC)(c1ccc(C(=O)N[C@@H](CC(O)=O)C(O)=O)n1C)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|

BDBM50441898

CCC(CC)(c1ccc(C(=O)N[C@@H](C)C(O)=O)n1C)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|

BDBM50441899

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N[C@H](CO)CCO |r|

BDBM50441900

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N[C@@H](C)CO |r|

BDBM50441901

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCO

BDBM50441902

CCC(CC)(c1ccc(C(=O)N[C@H](CO)CCO)n1C)c1ccc(OCC(O)C(C)(C)C)c(C)c1 |r|

BDBM50441903

CCC(CC)(c1ccc(C(=O)N[C@@H](C)CO)n1C)c1ccc(OCC(O)C(C)(C)C)c(C)c1 |r|

BDBM50441904

CCC(CC)(c1ccc(C(=O)NCCCO)n1C)c1ccc(OCC(O)C(C)(C)C)c(C)c1

BDBM50441905

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCC(=O)OC

BDBM50441906

CCC(CC)(c1ccc(C(=O)NCCC(=O)OC)n1C)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM50441907

CCC(CC)(c1ccc(C(=O)NCC(=O)OC)n1C)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM50441908

Cc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCN(CC1)c1ccccc1

BDBM50441909

Clc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCN(CC1)c1ccccc1

BDBM50441910

N=c1scc(-c2ccccc2)n1CC(=O)N1CCN(CC1)c1ccccc1

BDBM50441911

CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(C)cc1

BDBM50441912

CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1

BDBM50441913

CC(=O)N1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1

BDBM50441914

CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(C)cc1

BDBM50441915

CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccc(Cl)cc1

BDBM50441916

CN1CCN(CC1)C(=O)Cn1c(csc1=N)-c1ccccc1

BDBM50441917

Cc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCOCC1

BDBM50441918

Clc1ccc(cc1)-c1csc(=N)n1CC(=O)N1CCOCC1

BDBM50441919

N=c1scc(-c2ccccc2)n1CC(=O)N1CCOCC1

BDBM50446350

COc1ccc(cc1)C(Nc1ccc(cc1)C(F)(F)F)c1c(C)[nH]c2ccccc12

BDBM50446351

COc1ncccc1NC(c1c(C)[nH]c2cc(C)ccc12)c1cccnc1

BDBM50446352

COc1ccc(NC(c2nccs2)c2c(C)[nH]c3ccccc23)cc1OC

BDBM50446353

Cc1[nH]c2cc(C)ccc2c1C(Nc1cccnc1)c1ccccc1Cl

BDBM50446354

COc1ncccc1NC(c1c(C)[nH]c2cc(C)ccc12)c1ccccc1Cl

BDBM50446355

Cc1nc2cc(NC(c3c(C)[nH]c4ccccc34)c3ccccc3Cl)ccc2s1

BDBM50446356

Cc1[nH]c2ccccc2c1C(Nc1ccc2cccnc2c1)c1ccccc1Cl

BDBM50446357

Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1nccs1

BDBM50446358

Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1ncc[nH]1

BDBM50446359

COc1ncccc1C(Nc1ccc(Cl)cc1)c1c(C)[nH]c2ccccc12

BDBM50446360

Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1ccncc1

BDBM50446361

Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1cccnc1

BDBM50446362

Cc1[nH]c2cc(C)ccc2c1C(NCc1ccc(C)cc1)c1ccccc1Cl

BDBM50446363

Cc1[nH]c2cc(C)ccc2c1C(NCc1ccc(cc1)C(F)(F)F)c1ccccc1Cl

BDBM50446364

Cc1[nH]c2cc(C)ccc2c1C(NCc1ccccc1)c1ccccc1Cl

BDBM50446365

Cc1[nH]c2ccccc2c1C(NCc1ccccc1)c1ccccc1Cl

BDBM50446366

Cc1[nH]c2cc(C)ccc2c1C(Nc1ccc(cc1)C(F)(F)F)c1ccccc1Cl

BDBM50446367

COc1ccc2c(C(Nc3ccc(Cl)cc3)c3ccccc3Cl)c(C)[nH]c2c1

BDBM50446368

Cc1[nH]c2cc(C)ccc2c1C(Nc1ccc(Cl)cc1)c1ccccc1Cl

BDBM50446348

Cc1[nH]c2cc(C)ccc2c1C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1Cl

BDBM50446349

COc1ccc(NC(c2c(C)[nH]c3cc(C)ccc23)c2ccccc2Cl)cc1OC

BDBM50446369

COc1ccc(cc1)C(Nc1ccc(OC)c(OC)c1)c1c(C)[nH]c2ccccc12

BDBM50446370

COc1ccc(NC(c2c(C)[nH]c3ccccc23)c2ccc(cc2)C(F)(F)F)cc1OC

BDBM50446371

COc1ccc(NC(c2c(C)[nH]c3ccccc23)c2ccc(OC(F)(F)F)cc2)cc1OC

BDBM50446372

COc1ccc(NC(c2c(C)[nH]c3ccccc23)c2ccccc2Cl)cc1OC

BDBM50446373

Cc1[nH]c2ccccc2c1C(Nc1ccc(C)c(C)c1)c1ccccc1Cl

BDBM50446374

Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc12)c1ccccc1Cl

BDBM50446375

Cc1[nH]c2ccccc2c1C(Nc1ccc(Cl)cc1)c1nccn1C

BDBM50453437

COC(=O)c1cccc(OCc2oc(nc2C)-c2cccc(OC)c2)c1

BDBM50453439

COC(=O)Cc1ccc(OCc2oc(nc2C)-c2cccc(OC)c2)cc1

BDBM50453440

COc1ccccc1-c1nc(C)c(COc2ccc(CCC(O)=O)cc2)o1

BDBM50453441

COC(=O)c1cccc(OCc2oc(nc2C)-c2ccccc2OC)c1

BDBM50453448

COc1cccc(c1)-c1nc(C)c(COc2ccc(cc2)C(O)=O)o1

BDBM50453449

COc1cccc(c1)-c1nc(C)c(COc2cccc(c2)C(O)=O)o1

BDBM50453450

COc1cccc(c1)-c1nc(C)c(COc2ccccc2C(O)=O)o1

BDBM50453451

COc1ccccc1-c1nc(C)c(COc2ccc(CC(O)=O)cc2)o1

BDBM50453452

COc1ccccc1-c1nc(C)c(COc2cccc(c2)C(O)=O)o1

BDBM50453453

COc1ccccc1-c1nc(C)c(COc2ccccc2C(O)=O)o1

BDBM50453447

COC(=O)c1ccc(OCc2oc(nc2C)-c2cccc(OC)c2)cc1

BDBM50453454

COC(=O)c1ccccc1OCc1oc(nc1C)-c1cccc(OC)c1

BDBM50453455

COC(=O)CCc1ccc(OCc2oc(nc2C)-c2ccccc2OC)cc1

BDBM50453456

COC(=O)c1ccccc1OCc1oc(nc1C)-c1ccccc1OC

BDBM50453458

COc1cccc(c1)-c1nc(C)c(COc2ccc(CC(O)=O)cc2)o1

BDBM50453438

COC(=O)CCc1ccc(OCc2oc(nc2C)-c2cccc(OC)c2)cc1

BDBM50453457

COc1cccc(c1)-c1nc(C)c(COc2ccc(CCC(O)=O)cc2)o1

BDBM50453435

COC(=O)Cc1ccc(OCc2oc(nc2C)-c2ccccc2OC)cc1

BDBM50453459

COC(=O)c1ccc(OCc2oc(nc2C)-c2ccccc2OC)cc1

BDBM50453460

COc1ccccc1-c1nc(C)c(COc2ccc(cc2)C(O)=O)o1

BDBM50455851

CCCCCC\C(=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)c1cccc(CCCCCC(C)(C)O)c1 |r|

BDBM50455852

CCCCCCC\C(=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)c1cccc(CCCCCC(C)(C)O)c1 |r|

BDBM50455853

CC\C(=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)c1cccc(CCCCCC(C)(C)O)c1 |r|

BDBM50455854

CCCC\C(=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)c1cccc(CCCCCC(C)(C)O)c1 |r|

BDBM50455855

CCC\C(=C/C=C1/C[C@@H](O)C[C@H](O)C1=C)c1cccc(CCCCCC(C)(C)O)c1 |r|

BDBM50461063

CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(c1)[S@@](C)(=N)=O |r|

BDBM50469127

CCN(CC)CCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCSC)c(C)c1

BDBM50469128

CCN(CC)CCNC(=O)c1cc(cn1CC)C(CC)(CC)c1ccc(OCS(=O)(=O)c2ccccc2)c(C)c1

BDBM50500250

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)N(C)CC=C

BDBM50500251

CCN(CC)CCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM50500252

CCOC(=O)c1ccc(OC(=O)c2ccc(n2CC)C(CC)(CC)c2ccc(OCC(=O)C(C)(C)C)c(C)c2)cc1

BDBM50500253

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1

BDBM50500254

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50500255

CCOc1ccc(NC(=O)c2ccc(n2CC)C(CC)(CC)c2ccc(OCC(O)C(C)(C)C)c(C)c2)cc1

BDBM50500256

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)Oc1ccc(CCO)cc1

BDBM50500257

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)OCc1ccc(F)cc1

BDBM50500258

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCC(OC)OC

BDBM50500259

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCCN1CCOCC1

BDBM50500260

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCN

BDBM50500261

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N(C)c1ccccc1

BDBM50500262

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)OC(C)C#C

BDBM50500263

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)OCCC#C

BDBM50500264

CC[C@@H](C)[C@H](NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(O)=O |r|

BDBM50500265

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N(C)CC(O)=O

BDBM50500266

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1

BDBM50500267

CCN(CC)CCCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM50500268

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCCN(C)C

BDBM50500269

CCN(CC)CCCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1

BDBM50500270

CC[C@@H](C)[C@H](NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(O)=O |r|

BDBM50500271

CCOC(=O)CN(C)C(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM50500272

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCC(OC)OC

BDBM50500273

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCCCN1CCOCC1

BDBM50500274

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)N(C)CCC#N

BDBM50500275

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)N(C)c1ccccc1

BDBM50500276

CCOC(=O)CN(C)C(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1

BDBM50500277

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OCc1ccccn1

BDBM50500278

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCC#C

BDBM50500279

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCCN(C)C

BDBM50500280

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OC(C)CCO

BDBM50500281

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCCBr

BDBM50500282

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCCCN(C)C

BDBM50500283

CC[C@@H](C)[C@H](NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)OC |r|

BDBM50500284

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OCc1ccc(F)cc1

BDBM50500285

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N(C)CC=C

BDBM50500286

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCCN

BDBM50500287

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N(CCC#N)CCC#N

BDBM50500288

CC[C@@H](C)[C@H](NC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OC |r|

BDBM50500289

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCC#C

BDBM50500290

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)N(CCC#N)CCC#N

BDBM50500291

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCN(C)C

BDBM50500292

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCBr

BDBM50500293

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)N(C)CC(O)=O

BDBM50500294

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)Nc1cccc(c1)C(F)(F)F

BDBM50500295

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)Oc1ccc(CC(=O)OC)cc1

BDBM50500296

CCOC(=O)c1ccc(OC(=O)c2ccc(n2CC)C(CC)(CC)c2ccc(OCC(O)C(C)(C)C)c(C)c2)cc1

BDBM50500297

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OC(C)C#C

BDBM50500298

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)OCCC#C

BDBM50500299

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)OCc1ccccn1

BDBM50500300

CCOC(=O)CC(C)OC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

BDBM50500301

CCOc1ccc(NC(=O)c2ccc(n2CC)C(CC)(CC)c2ccc(OCC(=O)C(C)(C)C)c(C)c2)cc1

BDBM50500302

CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N(C)CCC#N

BDBM50506048

Cc1c(nc(C2CC2)n1-c1c(Cl)ccc(N2CC3(CC(C3)C(O)=O)C2)c1Cl)C1(CC1)C(F)(F)F |(63.47,-36.06,;63.15,-37.56,;64.18,-38.71,;63.41,-40.04,;61.9,-39.72,;60.76,-40.76,;59.26,-41.08,;60.29,-42.22,;61.73,-38.19,;60.4,-37.42,;60.41,-35.88,;61.75,-35.11,;59.08,-35.11,;57.74,-35.88,;57.75,-37.43,;56.41,-38.2,;54.93,-37.8,;54.54,-39.29,;53.04,-38.89,;52.64,-40.38,;54.13,-40.78,;51.3,-41.15,;49.97,-40.37,;51.3,-42.69,;56.03,-39.69,;59.08,-38.19,;57.73,-38.94,;65.71,-38.7,;65.71,-37.16,;67.04,-37.93,;66.49,-40.03,;68.03,-40.03,;65.72,-41.37,;67.25,-41.36,)|

BDBM50512559

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)C)C)C

BDBM50520855

CCC(CC)(c1ccc(OCCC(C)(C)O)c(C)c1)c1ccc(OCC(CO)CO)c(C)c1

BDBM50520856

CCC(CC)(c1ccc(OCCC(C)(C)O)c(C)c1)c1ccc(OC[C@@H](O)CO)c(C)c1 |r|

BDBM50520857

CCC(O)(CC)COc1ccc(cc1C)C(CC)(CC)c1ccc(OC(CO)CO)c(C)c1

BDBM50520858

CCC(O)(CC)COc1ccc(cc1C)C(CC)(CC)c1ccc(OC[C@@H](O)CO)c(C)c1 |r|

BDBM50520859

CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(C)(C)O)c(C)c1 |r|

BDBM50520860

CCC(CC)(c1ccc(OCC(CO)CO)c(C)c1)c1ccc(OCC(C)(C)O)c(C)c1

BDBM50520861

CCC(O)(CC)COc1ccc(cc1C)C(CC)(CC)c1ccc(OCC(CO)CO)c(C)c1

BDBM50521012

[H][C@@]1(CC[C@@]2([H])[C@H](CCC[C@]12C)OC(=O)c1cccc(O)c1)[C@H](C)CCCC(C)(C)O |r|

BDBM50521013

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCCC(C)(C)O

BDBM50521014

[H][C@@]1(CC[C@@]2([H])[C@H](CCC[C@]12C)Nc1cccc(O)c1)[C@H](C)CCCC(C)(C)O |r|

BDBM50521015

[H][C@@]1(CC[C@@]2([H])[C@H](CCC[C@]12C)Nc1ccc(O)cc1)[C@H](C)CCCC(C)(C)O |r|

BDBM50521016

[H][C@@]1(CC[C@@]2([H])[C@H](CNc3cccc(O)c3)CCC[C@]12C)[C@H](C)CCCC(C)(C)O |r|

BDBM50521017

[H][C@@]1(CC[C@@]2([H])[C@H](CNc3cccc(O)c3)CCC[C@]12C)[C@H](C)CCCC(C)(C)OC |r|

BDBM50521018

CCC(CC)(c1ccc(c(c1)C)OC[C@H](CO)O)c2ccc(c(c2)C)OC[C@@H](C(C)(C)C)O

BDBM50521019

[H][C@@]1(CC[C@@]2([H])[C@H](CNc3ccc(O)cc3)CCC[C@]12C)[C@H](C)CCCC(C)(C)O |r|

BDBM50521020

[H][C@@]1(CC[C@@]2([H])[C@H](CCC[C@]12C)Nc1cccc(O)c1)[C@H](C)CCCC(C)(C)OC |r|

BDBM50521021

[H][C@@]1(CC[C@@]2([H])[C@H](CCC[C@]12C)OC(=O)c1cccc(O)c1)[C@H](C)CCCC(C)(C)OC |r|

BDBM21724

CC(C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(-5,9.13,;-4.28,7.76,;-2.74,7.7,;-5.11,6.46,;-6.65,6.36,;-7.03,4.87,;-5.73,4.05,;-4.54,5.03,;-3.21,4.26,;-1.87,5.03,;-.54,4.26,;.79,5.03,;2.13,4.26,;2.13,2.72,;3.46,1.95,;4.79,2.72,;6.13,1.95,;6.13,.41,;7.46,-.36,;8.79,.41,;8.79,1.95,;7.46,2.72,;10.13,2.72,;11.46,1.95,;10.13,4.26,;.79,1.95,;.79,.41,;-.54,2.72,;-5.63,2.51,;-4.28,1.78,;-2.97,2.59,;-4.23,.24,;-5.54,-.57,;-6.9,.16,;-6.94,1.7,;-8.3,2.43,)|

BDBM50544032

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C)C(O)=O)-c1c(Cl)cccc1Cl |(35.01,-13.06,;35.63,-11.65,;37.16,-11.49,;34.73,-10.41,;33.19,-10.41,;32.72,-8.94,;33.96,-8.03,;35.21,-8.94,;36.67,-8.46,;37.82,-9.5,;39.28,-9.02,;40.43,-10.05,;41.88,-9.58,;42.21,-8.07,;41.06,-7.04,;39.6,-7.52,;43.67,-7.59,;44.92,-8.49,;46.16,-7.58,;47.66,-7.9,;48.69,-6.75,;48.2,-5.29,;46.71,-4.98,;45.69,-6.12,;44.15,-6.13,;43.24,-4.88,;49.22,-4.14,;50.73,-4.46,;48.74,-2.68,;33.95,-6.49,;35.29,-5.72,;36.62,-6.49,;35.28,-4.17,;33.95,-3.41,;32.62,-4.17,;32.61,-5.72,;31.28,-6.49,)|

BDBM50544033

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2cc(ccc2n1C)C(O)=O)-c1c(Cl)cccc1Cl |(66.09,-12.42,;66.72,-11.01,;68.25,-10.85,;65.82,-9.77,;64.28,-9.77,;63.79,-8.3,;65.04,-7.4,;66.29,-8.3,;67.76,-7.83,;68.9,-8.86,;70.37,-8.38,;71.5,-9.42,;72.97,-8.94,;73.3,-7.44,;72.14,-6.4,;70.68,-6.88,;74.75,-6.95,;76,-7.86,;77.24,-6.94,;78.74,-7.26,;79.77,-6.12,;79.28,-4.66,;77.78,-4.35,;76.77,-5.48,;75.23,-5.48,;74.32,-4.25,;81.28,-6.43,;82.3,-5.28,;81.76,-7.9,;65.03,-5.86,;66.37,-5.08,;67.71,-5.85,;66.37,-3.53,;65.03,-2.77,;63.7,-3.54,;63.7,-5.08,;62.36,-5.86,)|

BDBM50544034

CC(C)c1onc(c1COc1ccc(cc1Cl)-c1nc2ccc(cc2n1C)C(O)=O)-c1c(Cl)cccc1Cl |(6.58,-31.57,;7.2,-30.16,;8.74,-30,;6.3,-28.92,;4.76,-28.92,;4.29,-27.45,;5.53,-26.55,;6.78,-27.45,;8.24,-26.97,;9.39,-28.01,;10.85,-27.53,;12,-28.56,;13.45,-28.09,;13.78,-26.58,;12.63,-25.55,;11.17,-26.03,;10.02,-25,;15.24,-26.1,;16.49,-27,;17.73,-26.1,;19.23,-26.41,;20.26,-25.27,;19.77,-23.8,;18.28,-23.5,;17.26,-24.64,;15.72,-24.64,;14.81,-23.39,;20.79,-22.65,;22.3,-22.97,;20.31,-21.19,;5.52,-25,;6.86,-24.23,;8.2,-25,;6.85,-22.68,;5.52,-21.92,;4.19,-22.68,;4.18,-24.23,;2.86,-25,)|

BDBM50544035

CC(C)c1onc(c1COc1ccc(-c2nc3ccc(cc3n2C)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(35.35,-31.89,;35.97,-30.48,;37.51,-30.32,;35.07,-29.24,;33.53,-29.24,;33.06,-27.77,;34.3,-26.86,;35.55,-27.77,;37.01,-27.29,;38.16,-28.32,;39.62,-27.85,;40.77,-28.88,;42.22,-28.41,;42.55,-26.9,;44.01,-26.42,;45.26,-27.32,;46.5,-26.41,;48,-26.73,;49.03,-25.58,;48.54,-24.12,;47.05,-23.81,;46.03,-24.95,;44.49,-24.96,;43.58,-23.71,;49.56,-22.97,;51.07,-23.28,;49.08,-21.5,;41.4,-25.86,;41.71,-24.36,;39.94,-26.35,;34.29,-25.32,;35.63,-24.55,;36.97,-25.32,;35.62,-23,;34.29,-22.23,;32.96,-23,;32.95,-24.55,;31.63,-25.32,)|

BDBM50544010

CCn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(73.99,-22.86,;73.37,-24.26,;74.28,-25.51,;73.8,-26.97,;75.05,-27.87,;76.29,-26.97,;77.79,-27.28,;78.82,-26.14,;78.34,-24.67,;76.84,-24.36,;75.82,-25.51,;79.36,-23.52,;80.86,-23.84,;78.87,-22.05,;72.34,-27.45,;72.01,-28.96,;70.56,-29.43,;69.41,-28.4,;67.95,-28.88,;66.8,-27.84,;65.33,-28.32,;64.86,-29.79,;63.32,-29.79,;62.84,-28.32,;64.09,-27.42,;64.08,-25.87,;65.42,-25.1,;66.75,-25.87,;65.41,-23.55,;64.07,-22.79,;62.74,-23.55,;62.74,-25.1,;61.41,-25.87,;65.76,-31.03,;65.14,-32.44,;67.29,-30.87,;69.72,-26.9,;71.19,-26.42,)|

BDBM50544011

CCCn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(14.96,-41.67,;15.87,-42.9,;15.24,-44.31,;16.16,-45.56,;15.68,-47.02,;16.93,-47.92,;18.17,-47.01,;19.67,-47.33,;20.7,-46.18,;20.22,-44.72,;18.72,-44.41,;17.7,-45.55,;21.24,-43.56,;22.75,-43.88,;20.75,-42.1,;14.22,-47.5,;13.89,-49.01,;12.43,-49.48,;11.29,-48.45,;9.82,-48.93,;8.67,-47.89,;7.21,-48.37,;6.73,-49.84,;5.19,-49.84,;4.72,-48.37,;5.96,-47.46,;5.95,-45.92,;7.29,-45.15,;8.63,-45.92,;7.28,-43.59,;5.95,-42.83,;4.62,-43.6,;4.61,-45.15,;3.28,-45.92,;7.64,-51.08,;7.01,-52.49,;9.17,-50.92,;11.6,-46.95,;13.06,-46.46,)|

BDBM50544012

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C(C)C)C(O)=O)-c1c(Cl)cccc1Cl |(35.36,-53.52,;35.99,-52.11,;37.52,-51.95,;35.08,-50.87,;33.54,-50.87,;33.07,-49.4,;34.31,-48.49,;35.56,-49.4,;37.02,-48.92,;38.17,-49.95,;39.64,-49.48,;40.78,-50.51,;42.24,-50.04,;42.57,-48.53,;41.41,-47.49,;39.95,-47.98,;44.03,-48.05,;45.27,-48.95,;46.52,-48.04,;48.02,-48.36,;49.05,-47.21,;48.57,-45.75,;47.07,-45.44,;46.05,-46.58,;44.5,-46.58,;43.59,-45.34,;44.21,-43.93,;42.07,-45.5,;49.58,-44.59,;51.1,-44.91,;49.1,-43.13,;34.3,-46.95,;35.64,-46.17,;36.98,-46.95,;35.63,-44.62,;34.3,-43.86,;32.97,-44.63,;32.96,-46.18,;31.63,-46.95,)|

BDBM50544013

CCC(CC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(71.43,-43.38,;72.33,-44.62,;73.86,-44.45,;74.48,-43.05,;73.57,-41.81,;74.77,-45.7,;74.3,-47.17,;75.54,-48.07,;76.78,-47.16,;78.28,-47.47,;79.31,-46.33,;78.83,-44.86,;77.33,-44.56,;76.31,-45.7,;79.85,-43.71,;81.36,-44.03,;79.37,-42.25,;72.83,-47.65,;72.5,-49.16,;71.05,-49.63,;69.9,-48.6,;68.44,-49.07,;67.29,-48.04,;65.82,-48.52,;65.35,-49.99,;63.81,-49.99,;63.33,-48.52,;64.57,-47.61,;64.56,-46.07,;65.9,-45.29,;67.24,-46.06,;65.9,-43.74,;64.56,-42.98,;63.23,-43.75,;63.23,-45.29,;61.9,-46.07,;66.25,-51.23,;65.62,-52.64,;67.78,-51.07,;70.22,-47.1,;71.68,-46.61,)|

BDBM50544014

CCCC(CCC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(12.15,-5.82,;13.68,-5.65,;14.58,-6.89,;16.11,-6.73,;16.73,-5.33,;15.82,-4.09,;16.44,-2.68,;17.02,-7.98,;16.55,-9.44,;17.79,-10.35,;19.03,-9.44,;20.53,-9.75,;21.56,-8.6,;21.08,-7.14,;19.58,-6.83,;18.56,-7.98,;22.1,-5.99,;23.61,-6.3,;21.62,-4.52,;15.08,-9.92,;14.75,-11.43,;13.3,-11.91,;12.15,-10.87,;10.68,-11.35,;9.54,-10.31,;8.07,-10.8,;7.6,-12.26,;6.05,-12.26,;5.58,-10.8,;6.82,-9.89,;6.81,-8.34,;8.15,-7.57,;9.49,-8.34,;8.15,-6.01,;6.81,-5.25,;5.48,-6.02,;5.47,-7.57,;4.14,-8.34,;8.5,-13.5,;7.87,-14.91,;10.03,-13.34,;12.46,-9.37,;13.93,-8.89,)|

BDBM50544015

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CC1)C(O)=O)-c1c(Cl)cccc1Cl |(37.25,-13.03,;37.88,-11.63,;39.41,-11.47,;36.98,-10.38,;35.44,-10.38,;34.96,-8.92,;36.2,-8.01,;37.45,-8.92,;38.92,-8.44,;40.06,-9.47,;41.53,-9,;42.67,-10.03,;44.13,-9.56,;44.46,-8.05,;43.3,-7.01,;41.84,-7.5,;45.92,-7.57,;47.16,-8.47,;48.4,-7.56,;49.9,-7.87,;50.93,-6.73,;50.45,-5.27,;48.95,-4.96,;47.93,-6.1,;46.39,-6.1,;45.48,-4.86,;45.32,-3.32,;44.07,-4.24,;51.47,-4.11,;52.98,-4.43,;50.98,-2.65,;36.19,-6.47,;37.53,-5.69,;38.87,-6.47,;37.53,-4.14,;36.19,-3.38,;34.86,-4.15,;34.86,-5.69,;33.53,-6.47,)|

BDBM50544026

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCC1)C(O)=O)-c1c(Cl)cccc1Cl |(66.8,-13.31,;67.42,-11.9,;68.95,-11.74,;66.52,-10.66,;64.98,-10.66,;64.51,-9.2,;65.75,-8.29,;66.99,-9.2,;68.46,-8.72,;69.61,-9.75,;71.07,-9.28,;72.21,-10.31,;73.67,-9.83,;74,-8.32,;72.84,-7.29,;71.38,-7.78,;75.46,-7.85,;76.7,-8.75,;77.95,-7.84,;79.45,-8.15,;80.47,-7.01,;79.99,-5.55,;78.49,-5.24,;77.47,-6.38,;75.93,-6.38,;75.02,-5.13,;75.27,-3.6,;73.74,-3.37,;73.5,-4.89,;81.01,-4.39,;82.52,-4.71,;80.53,-2.93,;65.74,-6.75,;67.08,-5.97,;68.41,-6.74,;67.07,-4.42,;65.73,-3.66,;64.4,-4.43,;64.4,-5.97,;63.07,-6.75,)|

BDBM50544027

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCCC1)C(O)=O)-c1c(Cl)cccc1Cl |(8.55,-32.97,;9.17,-31.57,;10.7,-31.41,;8.27,-30.33,;6.73,-30.33,;6.25,-28.86,;7.49,-27.95,;8.74,-28.86,;10.21,-28.38,;11.35,-29.41,;12.82,-28.94,;13.96,-29.97,;15.42,-29.5,;15.75,-27.99,;14.59,-26.95,;13.13,-27.44,;17.21,-27.51,;18.45,-28.41,;19.7,-27.5,;21.19,-27.82,;22.22,-26.67,;21.74,-25.21,;20.24,-24.9,;19.22,-26.04,;17.68,-26.05,;16.77,-24.8,;17.24,-23.33,;15.99,-22.43,;14.74,-23.34,;15.22,-24.8,;22.76,-24.06,;24.27,-24.37,;22.27,-22.59,;7.49,-26.41,;8.82,-25.64,;10.16,-26.41,;8.82,-24.08,;7.48,-23.32,;6.15,-24.09,;6.15,-25.64,;4.82,-26.41,)|

BDBM50544028

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCCCC1)C(O)=O)-c1c(Cl)cccc1Cl |(36.9,-33.77,;37.52,-32.36,;39.05,-32.2,;36.62,-31.12,;35.08,-31.12,;34.6,-29.65,;35.85,-28.74,;37.09,-29.65,;38.56,-29.17,;39.7,-30.2,;41.17,-29.73,;42.31,-30.76,;43.77,-30.29,;44.1,-28.78,;42.94,-27.74,;41.48,-28.23,;45.56,-28.3,;46.8,-29.2,;48.05,-28.29,;49.54,-28.61,;50.57,-27.46,;50.09,-26,;48.59,-25.69,;47.57,-26.83,;46.03,-26.84,;45.12,-25.59,;45.75,-24.18,;44.85,-22.94,;43.31,-23.09,;42.69,-24.51,;43.59,-25.76,;51.11,-24.85,;52.62,-25.16,;50.63,-23.38,;35.84,-27.2,;37.18,-26.43,;38.51,-27.2,;37.17,-24.88,;35.83,-24.11,;34.5,-24.88,;34.5,-26.43,;33.17,-27.2,)|

BDBM50544016

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCCCCC1)C(O)=O)-c1c(Cl)cccc1Cl |(67.23,-33.83,;67.86,-32.42,;69.39,-32.26,;66.96,-31.18,;65.41,-31.18,;64.94,-29.71,;66.18,-28.8,;67.43,-29.71,;68.89,-29.23,;70.04,-30.26,;71.51,-29.79,;72.65,-30.82,;74.11,-30.35,;74.43,-28.84,;73.28,-27.8,;71.82,-28.29,;75.9,-28.36,;77.14,-29.26,;78.38,-28.35,;79.88,-28.67,;80.91,-27.52,;80.42,-26.06,;78.93,-25.75,;77.91,-26.89,;76.37,-26.9,;75.46,-25.65,;73.95,-25.93,;72.78,-24.92,;72.84,-23.38,;74.08,-22.47,;75.58,-22.87,;76.19,-24.29,;81.44,-24.91,;82.95,-25.22,;80.96,-23.44,;66.17,-27.26,;67.51,-26.49,;68.85,-27.26,;67.51,-24.94,;66.17,-24.18,;64.84,-24.94,;64.84,-26.49,;63.51,-27.26,)|

BDBM50544029

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCN(CC1)C(C)=O)C(O)=O)-c1c(Cl)cccc1Cl |(8.01,-54.55,;8.64,-53.14,;10.17,-52.98,;7.73,-51.9,;6.19,-51.9,;5.72,-50.43,;6.96,-49.53,;8.21,-50.44,;9.68,-49.95,;10.82,-50.99,;12.29,-50.51,;13.44,-51.54,;14.89,-51.07,;15.22,-49.56,;14.06,-48.53,;12.6,-49.01,;16.69,-49.08,;17.93,-49.98,;19.17,-49.08,;20.67,-49.39,;21.7,-48.24,;21.22,-46.78,;19.72,-46.47,;18.7,-47.61,;17.16,-47.62,;16.25,-46.37,;16.87,-44.97,;15.96,-43.73,;14.44,-43.89,;13.82,-45.29,;14.72,-46.53,;13.53,-42.65,;14.15,-41.25,;12.01,-42.81,;22.24,-45.63,;23.75,-45.94,;21.76,-44.16,;6.95,-47.98,;8.29,-47.21,;9.63,-47.98,;8.29,-45.65,;6.95,-44.89,;5.62,-45.66,;5.61,-47.21,;4.28,-47.98,)|

BDBM50544017

CC(C)Cn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(46.55,-42.95,;47.45,-44.19,;48.98,-44.02,;46.83,-45.59,;47.74,-46.84,;47.27,-48.3,;48.51,-49.2,;49.76,-48.3,;51.26,-48.61,;52.28,-47.46,;51.8,-46,;50.3,-45.69,;49.28,-46.83,;52.82,-44.85,;54.33,-45.16,;52.34,-43.38,;45.8,-48.78,;45.48,-50.29,;44.02,-50.76,;42.87,-49.73,;41.41,-50.21,;40.26,-49.17,;38.79,-49.66,;38.32,-51.12,;36.78,-51.12,;36.3,-49.65,;37.54,-48.75,;37.53,-47.2,;38.88,-46.43,;40.21,-47.2,;38.87,-44.87,;37.53,-44.11,;36.2,-44.88,;36.2,-46.43,;34.87,-47.2,;39.22,-52.36,;38.6,-53.77,;40.75,-52.2,;43.19,-48.23,;44.65,-47.75,)|

BDBM50544018

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1CC(C)(C)C)C(O)=O)-c1c(Cl)cccc1Cl |(67.86,-53.83,;68.48,-52.42,;70.01,-52.26,;67.58,-51.18,;66.04,-51.18,;65.56,-49.71,;66.8,-48.8,;68.05,-49.71,;69.52,-49.23,;70.67,-50.26,;72.13,-49.79,;73.28,-50.82,;74.74,-50.35,;75.06,-48.84,;73.91,-47.8,;72.45,-48.29,;76.53,-48.36,;77.77,-49.26,;79.02,-48.35,;80.52,-48.67,;81.54,-47.52,;81.06,-46.06,;79.56,-45.75,;78.54,-46.89,;77,-46.89,;76.09,-45.65,;76.71,-44.24,;75.81,-43,;78.24,-44.08,;77.46,-42.91,;82.08,-44.9,;83.59,-45.22,;81.6,-43.44,;66.8,-47.26,;68.14,-46.48,;69.47,-47.26,;68.13,-44.93,;66.79,-44.17,;65.46,-44.94,;65.46,-46.48,;64.13,-47.26,)|

BDBM50544019

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1CC1CC1)C(O)=O)-c1c(Cl)cccc1Cl |(8.79,-13.89,;9.42,-12.48,;10.95,-12.32,;8.52,-11.24,;6.97,-11.24,;6.5,-9.77,;7.74,-8.86,;8.99,-9.77,;10.46,-9.29,;11.61,-10.32,;13.07,-9.85,;14.22,-10.88,;15.67,-10.41,;16,-8.9,;14.85,-7.86,;13.38,-8.35,;17.47,-8.42,;18.71,-9.32,;19.95,-8.41,;21.45,-8.73,;22.48,-7.58,;22,-6.12,;20.5,-5.81,;19.48,-6.95,;17.94,-6.95,;17.03,-5.71,;17.65,-4.3,;18.89,-3.41,;17.48,-2.79,;23.02,-4.96,;24.53,-5.28,;22.54,-3.5,;7.73,-7.32,;9.07,-6.54,;10.41,-7.32,;9.07,-4.99,;7.73,-4.23,;6.4,-5,;6.4,-6.54,;5.07,-7.32,)|

BDBM50544020

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1CC1CCCCC1)C(O)=O)-c1c(Cl)cccc1Cl |(36.95,-14.4,;37.58,-12.99,;39.11,-12.83,;36.68,-11.75,;35.13,-11.75,;34.66,-10.28,;35.9,-9.37,;37.15,-10.28,;38.62,-9.8,;39.76,-10.84,;41.23,-10.36,;42.38,-11.39,;43.83,-10.92,;44.16,-9.41,;43.01,-8.37,;41.54,-8.86,;45.63,-8.93,;46.87,-9.83,;48.11,-8.92,;49.61,-9.24,;50.64,-8.09,;50.16,-6.63,;48.66,-6.32,;47.64,-7.46,;46.1,-7.46,;45.19,-6.22,;45.81,-4.81,;47.34,-4.66,;47.96,-3.26,;47.07,-2.02,;45.54,-2.18,;44.91,-3.58,;51.18,-5.47,;52.69,-5.79,;50.7,-4.01,;35.89,-7.83,;37.23,-7.05,;38.57,-7.83,;37.23,-5.5,;35.89,-4.74,;34.56,-5.51,;34.56,-7.06,;33.23,-7.83,)|

BDBM50544030

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1CC1CCC(CC1)C(C)=O)C(O)=O)-c1c(Cl)cccc1Cl |(66.63,-16.15,;67.26,-14.74,;68.79,-14.58,;66.36,-13.5,;64.81,-13.5,;64.34,-12.03,;65.58,-11.12,;66.83,-12.03,;68.3,-11.55,;69.45,-12.58,;70.91,-12.11,;72.06,-13.14,;73.52,-12.67,;73.84,-11.16,;72.69,-10.12,;71.23,-10.61,;75.31,-10.68,;76.55,-11.58,;77.8,-10.67,;79.3,-10.98,;80.33,-9.84,;79.84,-8.37,;78.34,-8.07,;77.32,-9.21,;75.78,-9.21,;74.87,-7.96,;75.49,-6.56,;77.03,-6.4,;77.65,-5.01,;76.75,-3.76,;75.22,-3.92,;74.59,-5.33,;77.37,-2.37,;76.48,-1.12,;78.9,-2.21,;80.86,-7.22,;82.37,-7.54,;80.38,-5.76,;65.57,-9.58,;66.91,-8.8,;68.25,-9.57,;66.91,-7.25,;65.57,-6.49,;64.24,-7.25,;64.23,-8.8,;62.9,-9.58,)|

BDBM50544021

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1-c1ccc(F)cc1)C(O)=O)-c1c(Cl)cccc1Cl |(9.29,-32.89,;9.91,-31.48,;11.44,-31.32,;9.01,-30.24,;7.47,-30.24,;7,-28.78,;8.24,-27.87,;9.49,-28.78,;10.95,-28.29,;12.1,-29.33,;13.56,-28.85,;14.71,-29.88,;16.16,-29.41,;16.49,-27.9,;15.33,-26.87,;13.87,-27.35,;17.95,-27.43,;19.19,-28.33,;20.44,-27.42,;21.94,-27.73,;22.96,-26.59,;22.48,-25.12,;20.98,-24.82,;19.97,-25.96,;18.42,-25.96,;17.51,-24.71,;18.15,-23.31,;17.24,-22.06,;15.7,-22.22,;14.8,-20.99,;15.08,-23.64,;15.99,-24.88,;23.5,-23.97,;25.01,-24.29,;23.02,-22.51,;8.23,-26.33,;9.57,-25.55,;10.9,-26.32,;9.56,-24,;8.23,-23.24,;6.89,-24.01,;6.89,-25.55,;5.56,-26.32,)|

BDBM50544022

CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1Cc1ccc(F)cc1)C(O)=O)-c1c(Cl)cccc1Cl |(37.39,-34.35,;38.01,-32.94,;39.55,-32.78,;37.11,-31.7,;35.57,-31.7,;35.09,-30.23,;36.34,-29.32,;37.58,-30.23,;39.05,-29.75,;40.2,-30.78,;41.67,-30.31,;42.81,-31.34,;44.27,-30.87,;44.6,-29.36,;43.44,-28.32,;41.98,-28.81,;46.06,-28.88,;47.3,-29.78,;48.55,-28.87,;50.05,-29.18,;51.08,-28.04,;50.59,-26.57,;49.09,-26.27,;48.07,-27.41,;46.53,-27.41,;45.62,-26.16,;46.24,-24.76,;47.77,-24.61,;48.39,-23.2,;47.49,-21.96,;48.1,-20.56,;45.95,-22.13,;45.34,-23.53,;51.61,-25.42,;53.12,-25.74,;51.13,-23.96,;36.33,-27.78,;37.67,-27,;39,-27.77,;37.66,-25.45,;36.32,-24.69,;34.99,-25.46,;34.99,-27,;33.66,-27.78,)|

BDBM50544023

CCC(CC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(noc2C(C)C)-c2c(Cl)cccc2Cl)cc1F |(74.89,-22.95,;75.79,-24.19,;75.17,-25.59,;73.65,-25.75,;72.74,-24.51,;76.08,-26.84,;75.61,-28.3,;76.85,-29.2,;78.1,-28.3,;79.6,-28.61,;80.63,-27.46,;80.15,-26,;78.65,-25.69,;77.63,-26.83,;81.16,-24.85,;82.67,-25.16,;80.68,-23.38,;74.15,-28.78,;73.82,-30.29,;72.36,-30.76,;71.22,-29.73,;69.75,-30.21,;68.6,-29.17,;67.14,-29.65,;65.89,-28.74,;64.65,-29.65,;65.12,-31.12,;66.66,-31.12,;67.56,-32.36,;66.94,-33.77,;69.1,-32.2,;65.88,-27.2,;67.22,-26.43,;68.56,-27.2,;67.21,-24.87,;65.88,-24.11,;64.54,-24.88,;64.54,-26.43,;63.21,-27.2,;71.53,-28.23,;72.99,-27.75,;73.3,-26.24,)|

BDBM50544024

CCC(CC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1Cl |(15.67,-43.63,;16.57,-44.87,;18.1,-44.71,;18.72,-43.31,;17.81,-42.07,;19.01,-45.96,;18.53,-47.42,;19.78,-48.32,;21.02,-47.42,;22.52,-47.73,;23.55,-46.58,;23.07,-45.12,;21.57,-44.81,;20.55,-45.95,;24.09,-43.97,;25.6,-44.28,;23.6,-42.5,;17.07,-47.9,;16.74,-49.41,;15.28,-49.88,;14.14,-48.85,;12.67,-49.33,;11.53,-48.29,;10.06,-48.77,;9.58,-50.24,;8.04,-50.24,;7.57,-48.77,;8.81,-47.86,;8.8,-46.32,;10.14,-45.55,;11.48,-46.32,;10.14,-43.99,;8.8,-43.23,;7.47,-44,;7.46,-45.55,;6.14,-46.32,;10.49,-51.48,;9.86,-52.89,;12.02,-51.32,;14.45,-47.35,;15.91,-46.87,;16.23,-45.36,)|

BDBM50544031

CC(C)c1onc(c1COc1ccc(-c2nc3ccc(cc3n2CC2CCCCC2)C(O)=O)c(F)c1)-c1c(Cl)cccc1Cl |(39.35,-53.7,;39.97,-52.29,;41.51,-52.13,;39.07,-51.05,;37.53,-51.05,;37.06,-49.58,;38.3,-48.67,;39.55,-49.58,;41.01,-49.1,;42.16,-50.14,;43.63,-49.66,;44.77,-50.69,;46.23,-50.22,;46.56,-48.71,;48.02,-48.23,;49.27,-49.13,;50.51,-48.22,;52.01,-48.54,;53.04,-47.39,;52.56,-45.93,;51.06,-45.62,;50.04,-46.76,;48.5,-46.76,;47.59,-45.52,;48.21,-44.11,;49.73,-43.96,;50.36,-42.56,;49.46,-41.32,;47.93,-41.48,;47.3,-42.88,;53.58,-44.77,;55.09,-45.09,;53.1,-43.31,;45.4,-47.67,;45.72,-46.17,;43.94,-48.16,;38.29,-47.13,;39.63,-46.35,;40.97,-47.13,;39.62,-44.8,;38.29,-44.04,;36.95,-44.81,;36.95,-46.35,;35.62,-47.13,)|

BDBM50544025

CC(C)c1onc(c1COc1ccc(-c2nc3ccc(cc3n2CC2CCCCC2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl |(68.63,-53.77,;69.25,-52.36,;70.79,-52.2,;68.35,-51.11,;66.81,-51.11,;66.33,-49.65,;67.58,-48.74,;68.82,-49.65,;70.29,-49.17,;71.44,-50.2,;72.91,-49.73,;74.05,-50.76,;75.51,-50.28,;75.84,-48.77,;77.3,-48.3,;78.55,-49.2,;79.79,-48.29,;81.29,-48.6,;82.32,-47.46,;81.84,-45.99,;80.34,-45.68,;79.32,-46.83,;77.78,-46.83,;76.86,-45.58,;77.49,-44.18,;79.01,-44.02,;79.63,-42.62,;78.73,-41.38,;77.21,-41.54,;76.58,-42.95,;82.86,-44.84,;84.37,-45.15,;82.37,-43.37,;74.68,-47.74,;74.99,-46.23,;73.22,-48.22,;67.57,-47.19,;68.91,-46.42,;70.25,-47.19,;68.9,-44.86,;67.56,-44.1,;66.23,-44.87,;66.23,-46.42,;64.9,-47.19,)|

BDBM50550152

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])[C@@H](O)C[C@]12C)[C@H](C)CCC(O)=O |r|

BDBM50565949

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@@H](C4)CC(C)(C)O)C)C

BDBM50565950

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)CC(C)(C)O)C)C

BDBM50566091

CCN(CC)CCCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCCC(C)(C)O)c(C)c1

BDBM50566092

CCn1cc(cc1C(=O)NCCN1CCN(C)CC1)C(CC)(CC)c1ccc(OCC(C)O)c(C)c1

BDBM50566093

CCn1cc(cc1C(=O)NC(O)CO)C(CC)(CC)c1ccc(OCC(C)O)c(C)c1

BDBM50566094

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1/C[C@@H](O)C[C@H](O)C1=C)[C@H](C)\C=C\[C@@H](O)C1CC1 |r|

BDBM50589995

CC(C)(CCCCCc1cccc(c1)/C(=C/C=C\2/C[C@H](C[C@@H](C2=C)O)O)/CCCCCC(C)(C)O)O

BDBM50589996

CC(C)(CCCCCc1cc(cc(c1)/C=C/C=C\2/C[C@H](C[C@@H](C2=C)O)O)CCCCCC(C)(C)O)O

BDBM50591649

[H][C@]1(CC[C@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@H](O)C[C@H](O)C1=C)[C@@H](C)\C=C(/C)\C=C\C(=O)NO |r|

BDBM50005711

C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r|

BDBM50619810

[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]-[#6]-[#6]C([#6])([#6])[#8]

BDBM50619811

[#6]-[#6@@H]1-[#6@H](-[#6]-[#6]-[#6]\[#6]-1=[#6]/[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1ccccc1-[#8]-[#6]-[#6]C([#6])([#6])[#8] |r|

BDBM50619812

[#6]-[#6@@H]1-[#6@H](-[#6]-[#6]-[#6]\[#6]-1=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1ccccc1-[#8]-[#6]-[#6]-[#6]C([#6])([#6])[#8] |r|

BDBM50619816

[#6]-[#6@@H]1-[#6@H](-[#6]-[#6]-[#6]\[#6]-1=[#6]/[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1cccc(-[#8]-[#6]-[#6]-[#6]C([#6])([#6])[#8])c1 |r|

BDBM50619819

[#6]-[#6@@H]1-[#6@H](-[#6]-[#6]-[#6]\[#6]-1=[#6]/[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1ccc(-[#8]-[#6]C([#6])([#6])[#8])cc1 |r|

BDBM50619820

[#6]-[#6@@H]1-[#6@H](-[#6]-[#6]-[#6]\[#6]-1=[#6]/[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1ccc(-[#8])cc1 |r|

BDBM50619821

[#6]-[#6](-[#6])-[#6@@H]-1-[#6]-[#6@@H](-[#6@@H](-[#6])\[#6](-[#6]-1)=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)-c1cccc(-[#8]-[#6]-[#6]C([#6])([#6])[#8])c1 |r|

BDBM50621751

OC(=O)Cc1ccc(cc1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(-8.72,6.29,;-7.62,5.2,;-8.01,3.71,;-6.14,5.59,;-5.04,4.5,;-3.56,4.89,;-2.46,3.79,;-2.85,2.31,;-4.34,1.92,;-5.43,3.01,;-1.76,1.21,;-.27,1.6,;.82,.51,;.43,-.98,;1.52,-2.07,;3.01,-1.6,;4.18,-2.62,;4.03,-4.18,;5.43,-4.81,;6.45,-3.64,;5.67,-2.31,;6.29,-.9,;5.36,.35,;3.87,.2,;5.98,1.76,;7.54,1.92,;8.48,.66,;7.86,-.74,;8.72,-1.99,;2.62,-4.96,;1.92,-6.29,;1.13,-4.96,;-1.06,-1.37,;-2.15,-.27,)|

BDBM50621752

OC(=O)C1(CC1)c1cccc(c1)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)cc1 |(-8.73,1.33,;-7.24,1.73,;-6.15,.64,;-6.84,3.22,;-7.24,4.71,;-8.33,3.62,;-5.35,3.62,;-4.96,5.17,;-3.49,5.56,;-2.4,4.47,;-2.79,2.99,;-4.26,2.53,;-1.7,1.91,;-.22,2.29,;.87,1.21,;.48,-.27,;1.57,-1.36,;3.05,-.89,;4.14,-1.98,;3.98,-3.46,;5.38,-4.08,;6.47,-2.99,;5.69,-1.59,;6.32,-.19,;5.38,1.05,;3.83,.89,;6,2.45,;7.56,2.61,;8.42,1.36,;7.79,-.04,;8.73,-1.28,;2.66,-4.24,;1.88,-5.56,;1.1,-4.24,;-1,-.74,;-2.09,.35,)|

BDBM16111

COc1cccc(c1)-c1ccc(NC(=O)C2=C(CCC2)C(O)=O)c(F)c1 |t:16|

BDBM50634274

CC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCC#CCC(C(F)(F)F)(C(F)(F)F)O

BDBM50634275

CC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(C(F)(F)F)(C(F)(F)F)O

BDBM50634276

CC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCC#CCC(C)(C)O

BDBM50634277

C/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCC#CCC(C(F)(F)F)(C(F)(F)F)O

BDBM50075102

Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12