SMILES for Protein mono-ADP-ribosyltransferase PARP14 [1611-1801]

CN(C)C1CCC(CC1)SCc1nc2c(C)cccc2c(=O)[nH]1 |(7.34,-1.92,;6,-2.69,;6,-4.23,;4.67,-1.92,;3.33,-2.7,;2,-1.92,;2,-.39,;3.33,.39,;4.67,-.39,;.67,.38,;-.67,-.39,;-2,.38,;-3.33,-.39,;-4.67,.38,;-6,-.39,;-6,-1.93,;-7.34,.38,;-7.34,1.92,;-6,2.69,;-4.67,1.92,;-3.33,2.69,;-3.33,4.23,;-2,1.92,)|

BDBM434100

Cc1cccc2c1nc(CSC1CCC(O)CC1)[nH]c2=O |(-5.33,-2.69,;-5.33,-1.15,;-6.67,-.38,;-6.67,1.15,;-5.33,1.93,;-4,1.15,;-4,-.38,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;2.67,-1.15,;2.67,-2.69,;4,-3.47,;5.33,-2.69,;6.67,-3.46,;5.33,-1.15,;4,-.38,;-1.33,1.15,;-2.67,1.93,;-2.67,3.47,)|

BDBM434101

Cc1cccc2c1N=C(NC2=O)CSC3CCC(CC3)O

BDBM434102

Cc1cccc2c1nc(CS[C@@H]1CC[C@H](O)CC1)[nH]c2=O |r,wU:14.15,11.11,(5.33,1.54,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-4,2.31,;-5.33,1.54,;-6.67,2.31,;-5.33,,;-4,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|

BDBM434103

Cc1cccc2c1nc(CSC1CNC1)[nH]c2=O

BDBM434104

CO[C@H]1CC[C@@H](CC1)SCc1nc2c(C)cccc2c(=O)[nH]1 |r,wU:5.8,wD:2.1,(-8,1.54,;-6.67,2.31,;-5.33,1.54,;-5.33,,;-4,-.77,;-2.67,,;-2.67,1.54,;-4,2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-2.31,)|

BDBM434105

CO[C@H]1CC[C@H](CC1)SCc1nc2c(C)cccc2c(=O)[nH]1 |r,wU:2.1,5.8,(-8,1.54,;-6.67,2.31,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-2.31,)|

BDBM434106

O=c1[nH]c(CSC2CCOCC2)nc2c(cccc12)C#N

BDBM434107

O=c1[nH]c(CSC2CCOCC2)nc2cc(Oc3ccccc3)ccc12

BDBM434108

Fc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434109

COc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434110

CN1CCCC(C1)SCc1nc2c(C)cccc2c(=O)[nH]1

BDBM434111

Cc1c(F)ccc2c1nc(CSC1CCOCC1)[nH]c2=O

BDBM434112

Cc1ccc(Cl)c2c1nc(CSC1CCOCC1)[nH]c2=O

BDBM434113

Cc1ccc(c2c1nc(CSC1CCOCC1)[nH]c2=O)C(F)(F)F

BDBM434114

O=c1[nH]c(CSC2CCOCC2)nc2cccnc12

BDBM434115

O=c1[nH]c(CSC2CCOCC2)nc2cnccc12

BDBM434116

Cc1cccc2c1nc(CS[C@H]1C[C@@H](C1)OCc1ccccc1)[nH]c2=O |r,wU:11.11,wD:13.16,(-7.61,-1.77,;-7.61,-.23,;-8.95,.54,;-8.95,2.08,;-7.61,2.85,;-6.28,2.08,;-6.28,.54,;-4.94,-.23,;-3.61,.54,;-2.28,-.23,;-.94,.54,;.39,-.23,;1.88,.17,;2.28,-1.31,;.79,-1.71,;3.61,-2.08,;4.94,-1.31,;6.28,-2.08,;6.28,-3.62,;7.61,-4.39,;8.95,-3.62,;8.95,-2.08,;7.61,-1.31,;-3.61,2.08,;-4.94,2.85,;-4.94,4.39,)|

BDBM434117

Cc1cccc2c1nc(CSC1COC1)[nH]c2=O

BDBM434118

O=c1[nH]c(CSC2CCOCC2)nc2ccncc12

BDBM434119

Cc1ccnc2c1nc(CSC1CCOCC1)[nH]c2=O

BDBM434120

Cc1nccc2c1nc(CSC1CCOCC1)[nH]c2=O

BDBM434121

O=c1[nH]c(CSC2CCOCC2)nc2ncccc12

BDBM434122

Cc1cc(Cl)cc2c1nc(CSC1CCOCC1)[nH]c2=O

BDBM434123

Fc1ccc2c(nc(CSC3CCOCC3)[nH]c2=O)c1F

BDBM434124

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(F)ccc2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(7.34,-3.46,;6,-2.69,;6,-1.15,;4.67,-.38,;3.33,-1.15,;3.33,-2.69,;4.67,-3.47,;2,-.38,;.67,-1.15,;-.67,-.38,;-2,-1.15,;-3.33,-.38,;-4.67,-1.15,;-6,-.38,;-7.34,-1.15,;-6,1.15,;-4.67,1.93,;-3.33,1.15,;-2,1.93,;-2,3.47,;-.67,1.15,)|

BDBM434125

Cc1cccc2c1nc(CS[C@H]1C[C@H](O)C1)[nH]c2=O |r,wU:11.11,wD:13.14,(-4.94,-2.92,;-4.94,-1.38,;-6.28,-.61,;-6.28,.93,;-4.94,1.7,;-3.61,.93,;-3.61,-.61,;-2.28,-1.38,;-.94,-.61,;.39,-1.38,;1.72,-.61,;3.06,-1.38,;4.55,-.98,;4.94,-2.47,;6.28,-3.24,;3.46,-2.87,;-.94,.93,;-2.28,1.7,;-2.28,3.24,)|

BDBM434126

Cc1cccc2c1nc(CSC1CCCNC1)[nH]c2=O

BDBM434127

Cc1cccc2c1nc(CS[C@H]1CC[C@H](N)CC1)[nH]c2=O |r,wU:11.11,wD:14.15,(-5.82,-2.69,;-5.82,-1.15,;-7.16,-.38,;-7.16,1.15,;-5.82,1.93,;-4.49,1.15,;-4.49,-.38,;-3.16,-1.15,;-1.82,-.38,;-.49,-1.15,;.84,-.38,;2.18,-1.15,;3.51,-.38,;4.84,-1.15,;4.84,-2.69,;6.18,-3.46,;3.51,-3.47,;2.18,-2.69,;-1.82,1.15,;-3.16,1.93,;-3.16,3.47,)|

BDBM434128

Cc1cccc2c1nc(CS[C@@H]1CC[C@H](N)CC1)[nH]c2=O |r,wU:11.11,14.15,(-6.41,-2.69,;-6.41,-1.15,;-7.74,-.38,;-7.74,1.15,;-6.41,1.93,;-5.08,1.15,;-5.08,-.38,;-3.74,-1.15,;-2.41,-.38,;-1.08,-1.15,;.26,-.38,;1.59,-1.15,;1.59,-2.69,;2.93,-3.47,;4.26,-2.69,;5.59,-3.46,;4.26,-1.15,;2.93,-.38,;-2.41,1.15,;-3.74,1.93,;-3.74,3.47,)|

BDBM434129

Cc1ccc(F)c2c1nc(CSC1CCNCC1)[nH]c2=O

BDBM434130

Cc1cccc2c1nc(CS[C@H]1C[C@H](N)C1)[nH]c2=O |r,wU:11.11,wD:13.14,(-6.04,-2.92,;-6.04,-1.38,;-7.37,-.61,;-7.37,.93,;-6.04,1.7,;-4.71,.93,;-4.71,-.61,;-3.37,-1.38,;-2.04,-.61,;-.7,-1.38,;.63,-.61,;1.96,-1.38,;3.45,-.98,;3.85,-2.47,;5.18,-3.24,;2.36,-2.87,;-2.04,.93,;-3.37,1.7,;-3.37,3.24,)|

BDBM434131

Cc1cccc2c1nc(CSC1CCCC(N)CC1)[nH]c2=O

BDBM434132

Cc1cccc2c1nc(CS[C@H]1CCC[C@H](N)CC1)[nH]c2=O |r|

BDBM434133

Cc1cccc2c1nc(CS[C@H]1CCC[C@@H](N)CC1)[nH]c2=O

BDBM434134

Cc1ccc(F)c2c1nc(CSC1CCC(O)CC1)[nH]c2=O |(-5.33,-2.69,;-5.33,-1.15,;-6.67,-.38,;-6.67,1.15,;-5.33,1.93,;-5.33,3.47,;-4,1.15,;-4,-.38,;-2.67,-1.15,;-1.33,-.38,;,-1.15,;1.33,-.38,;2.67,-1.15,;2.67,-2.69,;4,-3.47,;5.33,-2.69,;6.67,-3.46,;5.33,-1.15,;4,-.38,;-1.33,1.15,;-2.67,1.93,;-2.67,3.47,)|

BDBM434135

Cc1ccc(F)c2c1nc(CS[C@@H]1CC[C@H](O)CC1)[nH]c2=O |r,wU:12.12,15.16,(-5.33,-7.93,;-5.33,-6.39,;-6.67,-5.62,;-6.67,-4.08,;-5.33,-3.31,;-5.33,-1.77,;-4,-4.08,;-4,-5.62,;-2.67,-6.39,;-1.33,-5.62,;,-6.39,;1.33,-5.62,;2.67,-6.39,;2.67,-7.93,;4,-8.7,;5.33,-7.93,;6.67,-8.7,;5.33,-6.39,;4,-5.62,;-1.33,-4.08,;-2.67,-3.31,;-2.67,-1.77,)|

BDBM434136

Cc1ccc(F)c2c1nc(CS[C@@H]1CC[C@H](O)CC1)[nH]c2=O |r,wD:12.12,15.16,(2.67,-4.62,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;2.67,,;2.67,1.54,;4,-.77,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;9.34,-2.31,;10.67,-3.08,;12,-2.31,;13.34,-3.08,;13.34,-4.62,;14.67,-5.39,;12,-5.39,;10.67,-4.62,;6.67,-.77,;5.33,,;5.33,1.54,)|

BDBM434137

Cc1ccc(c2c1nc(CSC1CCC(O)CC1)[nH]c2=O)C(F)(F)F |(-5.33,-3.47,;-5.33,-1.93,;-6.67,-1.15,;-6.67,.38,;-5.33,1.15,;-4,.38,;-4,-1.15,;-2.67,-1.93,;-1.33,-1.15,;,-1.93,;1.33,-1.15,;2.67,-1.93,;2.67,-3.46,;4,-4.23,;5.33,-3.46,;6.67,-4.23,;5.33,-1.93,;4,-1.15,;-1.33,.38,;-2.67,1.15,;-2.67,2.69,;-5.33,2.69,;-6.67,3.47,;-4,3.47,;-5.33,4.23,)|

BDBM434138

Cc1ccc(c2c1nc(CS[C@@H]1CC[C@H](O)CC1)[nH]c2=O)C(F)(F)F |r,wU:11.11,14.15,(-5.33,-9.52,;-5.33,-7.98,;-6.67,-7.21,;-6.67,-5.67,;-5.33,-4.9,;-4,-5.67,;-4,-7.21,;-2.67,-7.98,;-1.33,-7.21,;,-7.98,;1.33,-7.21,;2.67,-7.98,;2.67,-9.52,;4,-10.29,;5.33,-9.52,;6.67,-10.29,;5.33,-7.98,;4,-7.21,;-1.33,-5.67,;-2.67,-4.9,;-2.67,-3.36,;-5.33,-3.36,;-6.67,-2.59,;-4,-2.59,;-5.33,-1.82,)|

BDBM434139

Cc1ccc(c2c1nc(CS[C@@H]1CC[C@H](O)CC1)[nH]c2=O)C(F)(F)F |r,wU:14.15,11.11,(5.33,1.54,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-4,2.31,;-5.33,1.54,;-6.67,2.31,;-5.33,,;-4,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,;5.33,-4.62,;5.33,-6.16,;3.79,-4.62,;6.87,-4.62,)|

BDBM434140

Cc1cccc2c1nc(CS[C@@H]1CC[C@H](CO)CC1)[nH]c2=O |r,wU:11.11,14.15,(-6,-8.75,;-6,-7.21,;-7.34,-6.44,;-7.34,-4.9,;-6,-4.13,;-4.67,-4.9,;-4.67,-6.44,;-3.33,-7.21,;-2,-6.44,;-.67,-7.21,;.67,-6.44,;2,-7.21,;2,-8.75,;3.33,-9.52,;4.67,-8.75,;6,-9.52,;7.34,-8.75,;4.67,-7.21,;3.33,-6.44,;-2,-4.9,;-3.33,-4.13,;-3.33,-2.59,)|

BDBM434141

C[C@H]1CC[C@H](CC1)SCc1nc2c(C)cccc2c(=O)[nH]1 |r,wU:1.0,4.7,(-6.67,2.31,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-2.31,)|

BDBM434142

Cc1cccc2c1nc(CS[C@@H]1CC[C@H](CN)CC1)[nH]c2=O |r,wU:11.11,14.15,(-6.29,-7.78,;-6.29,-6.24,;-7.62,-5.47,;-7.62,-3.93,;-6.29,-3.16,;-4.95,-3.93,;-4.95,-5.47,;-3.62,-6.24,;-2.28,-5.47,;-.95,-6.24,;.38,-5.47,;1.72,-6.24,;1.72,-7.78,;3.05,-8.55,;4.38,-7.78,;5.72,-8.55,;7.05,-7.78,;4.38,-6.24,;3.05,-5.47,;-2.28,-3.93,;-3.62,-3.16,;-3.62,-1.62,)|

BDBM434143

Cc1cccc2c1nc(CS[C@@H]1CC[C@H](CN)CC1)[nH]c2=O |r,wU:14.15,11.11,(5.33,1.54,;5.33,,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-4,2.31,;-5.33,1.54,;-6.67,2.31,;-8,1.54,;-5.33,,;-4,-.77,;1.33,-2.31,;2.67,-3.08,;2.67,-4.62,)|

BDBM434144

Cc1cccc2c1nc(CS[C@H]1CC[C@H](CN)CC1)[nH]c2=O |r,wU:11.11,wD:14.15,(-6.13,-2.69,;-6.13,-1.15,;-7.47,-.38,;-7.47,1.15,;-6.13,1.93,;-4.8,1.15,;-4.8,-.38,;-3.47,-1.15,;-2.13,-.38,;-.8,-1.15,;.54,-.38,;1.87,-1.15,;3.2,-.38,;4.54,-1.15,;4.54,-2.69,;5.87,-3.46,;7.2,-2.69,;3.2,-3.47,;1.87,-2.69,;-2.13,1.15,;-3.47,1.93,;-3.47,3.47,)|

BDBM434145

CN(C)C[C@H]1CC[C@H](CC1)SCc1nc2c(C)cccc2c(=O)[nH]1 |r,wU:7.10,4.3,(6.02,-8.62,;6.02,-10.16,;7.35,-10.93,;4.68,-10.93,;3.35,-10.16,;2.02,-10.93,;.68,-10.16,;.68,-8.62,;2.02,-7.85,;3.35,-8.62,;-.65,-7.85,;-1.98,-8.62,;-3.32,-7.85,;-4.65,-8.62,;-5.99,-7.85,;-7.32,-8.62,;-7.32,-10.16,;-8.65,-7.85,;-8.65,-6.31,;-7.32,-5.54,;-5.99,-6.31,;-4.65,-5.54,;-4.65,-4,;-3.32,-6.31,)|

BDBM434146

CN(C)C[C@H]1CC[C@H](CC1)SCc1nc2c(C)cccc2c(=O)[nH]1 |r,wU:4.3,7.10,(-9.34,2.31,;-8,1.54,;-8,,;-6.67,2.31,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-2.31,)|

BDBM434147

CN(C)C[C@H]1CC[C@@H](CC1)SCc1nc2c(C)cccc2c(=O)[nH]1 |r,wU:7.10,wD:4.3,(6.67,.23,;6.67,-1.31,;8,-2.08,;5.33,-2.08,;4,-1.31,;4,.23,;2.67,1,;1.33,.23,;1.33,-1.31,;2.67,-2.08,;,1,;-1.33,.23,;-2.67,1,;-4,.23,;-5.33,1,;-6.67,.23,;-6.67,-1.31,;-8,1,;-8,2.54,;-6.67,3.31,;-5.33,2.54,;-4,3.31,;-4,4.85,;-2.67,2.54,)|

BDBM434148

Cc1cccc2c1nc(CS[C@@H]1CCC[C@H](CO)C1)[nH]c2=O |r|

BDBM434149

Cc1cccc2c1nc(CS[C@H]1CCC[C@@H](CO)C1)[nH]c2=O

BDBM434150

CN(C)C[C@H]1CCC[C@H](C1)SCc1nc2c(C)cccc2c(=O)[nH]1 |r|

BDBM434151

CNC[C@H]1CC[C@@H](CC1)SCc1nc2c(C)cccc2c(=O)[nH]1 |r,wU:6.9,wD:3.2,(8,-3.47,;6.67,-2.69,;5.33,-3.47,;4,-2.69,;4,-1.15,;2.67,-.38,;1.33,-1.15,;1.33,-2.69,;2.67,-3.47,;,-.38,;-1.33,-1.15,;-2.67,-.38,;-4,-1.15,;-5.33,-.38,;-6.67,-1.15,;-6.67,-2.69,;-8,-.38,;-8,1.15,;-6.67,1.93,;-5.33,1.15,;-4,1.93,;-4,3.47,;-2.67,1.15,)|

BDBM434152

Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434153

CC(=O)Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434154

O=C(Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O)c1ccccc1

BDBM434155

CNC(=O)c1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434156

O=C(Nc1ccccc1)c1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434157

O=c1[nH]c(CSC2CCOCC2)nc2cc(Nc3ccccc3)ccc12

BDBM434158

O=c1[nH]c(CSC2CCOCC2)nc2cc(Nc3cccnc3)ccc12

BDBM434159

O=c1[nH]c(CSC2CCOCC2)nc2cc(Nc3ccccn3)ccc12

BDBM434160

COc1ccc(Nc2ccc3c(c2)nc(CSC2CCOCC2)[nH]c3=O)cc1

BDBM434161

COc1cccc(Nc2ccc3c(c2)nc(CSC2CCOCC2)[nH]c3=O)c1

BDBM434162

COc1ccccc1Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434163

O=c1[nH]c(CSC2CCOCC2)nc2cc(Nc3cnccn3)ccc12

BDBM434164

O=c1[nH]c(CSC2CCOCC2)nc2cc(Nc3ccncc3)ccc12

BDBM434165

O=c1[nH]c(CSC2CCOCC2)nc2cc(Nc3cncnc3)ccc12

BDBM434166

Cn1ccnc1Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434167

O=c1[nH]c(CSC2CCOCC2)nc2cc(Nc3nccs3)ccc12

BDBM434168

Cc1ncccc1Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434169

Cc1ccncc1Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434170

Cc1cncc(Nc2ccc3c(c2)nc(CSC2CCOCC2)[nH]c3=O)c1

BDBM434171

Nc1cnn(c1)-c1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434172

O=c1[nH]c(CSC2CCOCC2)nc2cc(Nc3ccon3)ccc12

BDBM434173

Cc1c(Nc2ccccc2)ccc2c1nc(CSC1CCOCC1)[nH]c2=O

BDBM434174

O=c1[nH]c(CSC2CCOCC2)nc2cc(OCc3ccccc3)ccc12

BDBM434175

OC1CCC(CC1)SCc1nc2cc(Nc3ccccc3)ccc2c(=O)[nH]1 |(9.34,-3.47,;8,-2.69,;6.67,-3.47,;5.33,-2.69,;5.33,-1.15,;6.67,-.38,;8,-1.15,;4,-.38,;2.67,-1.15,;1.33,-.38,;,-1.15,;-1.33,-.38,;-2.67,-1.15,;-4,-.38,;-5.33,-1.15,;-6.67,-.38,;-6.67,1.15,;-8,1.93,;-9.34,1.15,;-9.34,-.38,;-8,-1.15,;-4,1.15,;-2.67,1.93,;-1.33,1.15,;,1.93,;,3.47,;1.33,1.15,)|

BDBM434176

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(Nc3ccccc3)ccc2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(9.34,1.57,;8,2.34,;8,3.88,;6.67,4.65,;5.33,3.88,;5.33,2.34,;6.67,1.57,;4,4.65,;2.67,3.88,;1.33,4.65,;,3.88,;-1.33,4.65,;-2.67,3.88,;-4,4.65,;-5.33,3.88,;-6.67,4.65,;-6.67,6.19,;-8,6.96,;-9.34,6.19,;-9.34,4.65,;-8,3.88,;-4,6.19,;-2.67,6.96,;-1.33,6.19,;,6.96,;,8.5,;1.33,6.19,)|

BDBM434177

O[C@H]1CC[C@H](CC1)SCc1nc2cc(Nc3ccccc3)ccc2c(=O)[nH]1 |r,wU:1.0,4.7,(-6.67,2.31,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;9.34,-.77,;10.67,,;12,-.77,;12,-2.31,;10.67,-3.08,;9.34,-2.31,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-2.31,)|

BDBM434178

O[C@H]1CC[C@H](CC1)SCc1nc2cc(Nc3cccnc3)ccc2c(=O)[nH]1 |r,wU:4.7,1.0,(9.34,1.57,;8,2.34,;6.67,1.57,;5.33,2.34,;5.33,3.88,;6.67,4.65,;8,3.88,;4,4.65,;2.67,3.88,;1.33,4.65,;,3.88,;-1.33,4.65,;-2.67,3.88,;-4,4.65,;-5.33,3.88,;-6.67,4.65,;-8,3.88,;-9.34,4.65,;-9.34,6.19,;-8,6.96,;-6.67,6.19,;-4,6.19,;-2.67,6.96,;-1.33,6.19,;,6.96,;,8.5,;1.33,6.19,)|

BDBM434179

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(Nc3cccnc3)ccc2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(-6.67,2.31,;-5.33,1.54,;-5.33,,;-4,-.77,;-2.67,,;-2.67,1.54,;-4,2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;9.34,-.77,;9.34,-2.31,;10.67,-3.08,;12,-2.31,;12,-.77,;10.67,,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-2.31,)|

BDBM434180

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCCC3)ccc2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(9.22,1.57,;7.89,2.34,;7.89,3.88,;6.55,4.65,;5.22,3.88,;5.22,2.34,;6.55,1.57,;3.89,4.65,;2.55,3.88,;1.22,4.65,;-.11,3.88,;-1.45,4.65,;-2.78,3.88,;-4.12,4.65,;-5.45,3.88,;-6.78,4.65,;-6.94,6.18,;-8.45,6.5,;-9.22,5.17,;-8.19,4.02,;-4.12,6.19,;-2.78,6.96,;-1.45,6.19,;-.11,6.96,;-.11,8.5,;1.22,6.19,)|

BDBM434181

O[C@H]1CC[C@H](CC1)SCc1nc2cc(NC3CCCC3)ccc2c(=O)[nH]1 |r,wD:4.7,1.0,(14.67,-5.39,;13.34,-4.62,;13.34,-3.08,;12,-2.31,;10.67,-3.08,;10.67,-4.62,;12,-5.39,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.74,-2.94,;-3.77,-1.79,;-3,-.46,;-1.49,-.78,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;6.67,-.77,)|

BDBM434182

OC[C@H]1CC[C@@H](CC1)SCc1nc2cc(Nc3ccccc3)ccc2c(=O)[nH]1 |r,wU:5.8,wD:2.1,(9.34,2.23,;8,1.46,;6.67,2.23,;6.67,3.77,;5.33,4.54,;4,3.77,;4,2.23,;5.33,1.46,;2.67,4.54,;2.67,6.08,;1.33,6.85,;,6.08,;-1.33,6.85,;-2.67,6.08,;-4,6.85,;-5.33,6.08,;-6.67,6.85,;-6.67,8.39,;-8,9.16,;-9.34,8.39,;-9.34,6.85,;-8,6.08,;-4,8.39,;-2.67,9.16,;-1.33,8.39,;,9.16,;,10.7,;1.33,8.39,)|

BDBM434183

OC[C@H]1CC[C@H](CC1)SCc1nc2cc(Nc3ccccc3)ccc2c(=O)[nH]1 |r,wU:2.1,5.8,(-8,1.54,;-6.67,2.31,;-5.33,1.54,;-4,2.31,;-2.67,1.54,;-2.67,,;-4,-.77,;-5.33,,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;9.34,-.77,;10.67,,;12,-.77,;12,-2.31,;10.67,-3.08,;9.34,-2.31,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-2.31,)|

BDBM434184

OC[C@H]1CC[C@H](CC1)SCc1nc2cc(Nc3cccnc3)ccc2c(=O)[nH]1 |r,wU:5.8,2.1,(9.34,2.23,;8,1.46,;6.67,2.23,;5.33,1.46,;4,2.23,;4,3.77,;5.33,4.54,;6.67,3.77,;2.67,4.54,;2.67,6.08,;1.33,6.85,;,6.08,;-1.33,6.85,;-2.67,6.08,;-4,6.85,;-5.33,6.08,;-6.67,6.85,;-6.67,8.39,;-8,9.16,;-9.34,8.39,;-9.34,6.85,;-8,6.08,;-4,8.39,;-2.67,9.16,;-1.33,8.39,;,9.16,;,10.7,;1.33,8.39,)|

BDBM434185

OC[C@H]1CC[C@@H](CC1)SCc1nc2cc(Nc3cccnc3)ccc2c(=O)[nH]1 |r,wU:5.8,wD:2.1,(-8,1.54,;-6.67,2.31,;-5.33,1.54,;-5.33,,;-4,-.77,;-2.67,,;-2.67,1.54,;-4,2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;5.33,,;6.67,-.77,;8,,;9.34,-.77,;9.34,-2.31,;10.67,-3.08,;12,-2.31,;12,-.77,;10.67,,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;2.67,-4.62,;1.33,-2.31,)|

BDBM434186

O=c1[nH]c(CSC2CCOCC2)nc2cc(NC3CCCCC3)ccc12

BDBM434187

CN(C)c1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434188

CNc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434189

O=c1[nH]c(CSC2CCOCC2)nc2cc(ccc12)N1CCOCC1

BDBM434190

CN1CCN(CC1)c1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434191

CN1CCC(CC1)Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434192

O=c1[nH]c(CSC2CCOCC2)nc2cc(NC3CCOCC3)ccc12

BDBM434193

O=c1[nH]c(CSC2CCOCC2)nc2cc(NC3CCCC3)ccc12

BDBM434194

CC(C)Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434195

O=c1[nH]c(CSC2CCOCC2)nc2cc(NCc3ccncc3)ccc12

BDBM434196

O=c1[nH]c(CSC2CCOCC2)nc2cc(NCc3ccccn3)ccc12

BDBM434197

O=c1[nH]c(CSC2CCOCC2)nc2cc(NCc3ccccc3)ccc12

BDBM434198

CC(Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O)c1ccccc1

BDBM434199

O=c1[nH]c(CSC2CCOCC2)nc2cc(NC3CCOC3)ccc12

BDBM434200

O=c1[nH]c(CSC2CCOCC2)nc2cc(NC3CCC3)ccc12

BDBM434201

O=c1[nH]c(CSC2CCOCC2)nc2cc(NCc3cccnc3)ccc12

BDBM434202

O=c1[nH]c(CSC2CCOCC2)nc2cc(NC3CC3)ccc12

BDBM434203

CN(C1CCCCC1)c1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434204

O=c1[nH]c(CSC2CCOCC2)nc2cc(NC3CCCN(Cc4ccccc4)C3)ccc12

BDBM434205

O=c1[nH]c(CSC2CCOCC2)nc2cc(NC3CCCNC3)ccc12

BDBM434206

O=c1[nH]c(CSC2CCOCC2)nc2cc(NC3CCN(Cc4ccccc4)CC3)ccc12

BDBM434207

O=c1[nH]c(CSC2CCOCC2)nc2cc(NC3CCNCC3)ccc12

BDBM434208

O=c1[nH]c(CSC2CCOCC2)nc2cc(NC3CCNC3)ccc12

BDBM434209

CC(=O)N1CCC(CC1)Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434210

CC(=O)N1CCCC(C1)Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434211

CN1CCCC(C1)Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434212

CC(=O)N1CCC(C1)Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434213

Cc1c(Oc2ccccc2)ccc2c1nc(CSC1CCOCC1)[nH]c2=O

BDBM434214

OC[C@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCCCC3)ccc2c(=O)[nH]1 |r,wU:5.8,wD:2.1,(10,3.09,;8.67,2.32,;7.34,3.09,;7.34,4.63,;6,5.4,;4.67,4.63,;4.67,3.09,;6,2.32,;3.33,5.4,;2,4.63,;.67,5.4,;-.67,4.63,;-2,5.4,;-3.33,4.63,;-4.67,5.4,;-6,4.63,;-7.34,5.4,;-7.34,6.94,;-8.67,7.71,;-10,6.94,;-10,5.4,;-8.67,4.63,;-4.67,6.94,;-3.33,7.71,;-2,6.94,;-.67,7.71,;-.67,9.25,;.67,6.94,)|

BDBM434215

OC[C@H]1CC[C@H](CC1)SCc1nc2cc(NC3CCCCC3)ccc2c(=O)[nH]1 |r,wD:5.8,2.1,(16,-4.62,;14.67,-5.39,;13.34,-4.62,;13.34,-3.08,;12,-2.31,;10.67,-3.08,;10.67,-4.62,;12,-5.39,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.67,-3.08,;-4,-2.31,;-4,-.77,;-2.67,,;-1.33,-.77,;1.33,-.77,;2.67,,;4,-.77,;5.33,,;5.33,1.54,;6.67,-.77,)|

BDBM434216

Cc1cccc2c1nc(CSC1CCN(Cc3nccn3C)CC1)[nH]c2=O

BDBM434217

CC(=O)Nc1ccc(CN2CCC(CC2)SCc2nc3c(C)cccc3c(=O)[nH]2)cc1

BDBM434218

CN(C)c1ccc(CN2CCC(CC2)SCc2nc3c(C)cccc3c(=O)[nH]2)cc1

BDBM434219

Cc1cccc2c1nc(CSC1CCN(Cc3ccc(cc3)C#N)CC1)[nH]c2=O

BDBM434220

Cc1cccc2c1nc(CSC1CCN(Cc3cc[nH]n3)CC1)[nH]c2=O

BDBM434221

Cc1cccc2c1nc(CSC1CCN(Cc3nn(C)c4ccccc34)CC1)[nH]c2=O

BDBM434222

Cc1nn(C)cc1CN1CCC(CC1)SCc1nc2c(C)cccc2c(=O)[nH]1

BDBM434223

Cc1cccc(CN2CCC(CC2)SCc2nc3c(C)cccc3c(=O)[nH]2)n1

BDBM434224

Cc1cccnc1CN1CCC(CC1)SCc1nc2c(C)cccc2c(=O)[nH]1

BDBM434225

Cc1cccc2c1nc(CSC1CCN(CCc3ccccc3)CC1)[nH]c2=O

BDBM434226

Cc1cccc2c1nc(CSC1CCN(Cc3ccc4cnn(C)c4c3)CC1)[nH]c2=O

BDBM434227

Cc1n[nH]cc1CN1CCC(CC1)SCc1nc2c(C)cccc2c(=O)[nH]1

BDBM434228

CC(=O)Nc1cccc(CN2CCC(CC2)SCc2nc3c(C)cccc3c(=O)[nH]2)c1

BDBM434229

Cc1cccc2c1nc(CSC1CCN(Cc3c[nH]c4ccncc34)CC1)[nH]c2=O

BDBM434230

Cc1cccc2c1nc(CSC1CCN(Cc3cnc4ccccn34)CC1)[nH]c2=O

BDBM434231

Cc1cccc2c1nc(CSC1CCN(Cc3cncn3Cc3ccccc3)CC1)[nH]c2=O

BDBM434232

Cc1cccc2c1nc(CSC1CCN(Cc3cnn(Cc4ccccc4)c3)CC1)[nH]c2=O

BDBM434233

Cc1cccc2c1nc(CSC1CCN(Cc3ccccc3OCC#N)CC1)[nH]c2=O

BDBM434234

Cc1cccc2c1nc(CSC1CCN(Cc3ccc4CC(=O)Nc4c3)CC1)[nH]c2=O

BDBM434235

COc1ccc(CN2CCC(CC2)SCc2nc3c(C)cccc3c(=O)[nH]2)nc1

BDBM434236

CN1CCOc2cc(CN3CCC(CC3)SCc3nc4c(C)cccc4c(=O)[nH]3)ccc12

BDBM434237

Cc1cccc2c1nc(CSC1CCN(C[C@H](O)CO)CC1)[nH]c2=O |r|

BDBM434238

Cc1cccc2c1nc(CSC1CCN(C[C@@H](O)CO)CC1)[nH]c2=O |r|

BDBM434239

Cc1cccc2c1nc(CSC1CCN(C[C@@H]3CCCN3)CC1)[nH]c2=O |r|

BDBM434240

Cc1cccc2c1nc(CSC1CCN(CCO)CC1)[nH]c2=O

BDBM434241

Cc1cccc2c1nc(CSC1CCN(CCN)CC1)[nH]c2=O

BDBM434242

Cc1cccc2c1nc(CSC1CCN(CCNC(=O)c3ccccn3)CC1)[nH]c2=O

BDBM434243

Cc1cccc2c1nc(CSC1CCN(CCCN)CC1)[nH]c2=O

BDBM434244

Cc1cccc2c1nc(CSC1CCN(CC1)C(=O)CN)[nH]c2=O

BDBM434245

Cc1cccc2c1nc(CSC1CCN(CC1)C(=O)CCN)[nH]c2=O

BDBM434246

CN(C)CCC(=O)N1CCC(CC1)SCc1nc2c(C)cccc2c(=O)[nH]1

BDBM434247

Cc1cccc2c1nc(CSC1CCN(CC1)C(=O)[C@H](N)CCCNC(N)=N)[nH]c2=O |r|

BDBM434248

Cc1cccc2c1nc(CSC1CCN(CC1)C(=O)[C@@H](N)CCCNC(N)=N)[nH]c2=O |r|

BDBM434249

Cc1cccc2c1nc(CSC1CCN(CC1)C(=O)[C@@H](N)CCCCN)[nH]c2=O |r|

BDBM434250

Cc1cccc2c1nc(CSC1CCN(CC1)C(=O)[C@H](N)CCCCN)[nH]c2=O |r|

BDBM434251

Cc1cccc2c1nc(CSC1CCN(CC1)C(=O)CCc1ccccn1)[nH]c2=O

BDBM434252

Cc1cccc2c1nc(CSC1CCN(CC1)S(C)(=O)=O)[nH]c2=O

BDBM434253

Cc1cccc2c1nc(CSC1CCN(CC1)S(=O)(=O)c1ccccn1)[nH]c2=O

BDBM434254

c1c(cc(c2c1N=C(NC2=O)CSC3CCNCC3)F)NC4CCCC4

BDBM434255

Fc1cc(NC2CCC2)cc2nc(CSC3CCNCC3)[nH]c(=O)c12

BDBM434256

CC(=O)NC[C@H]1CC[C@@H](CC1)SCc1nc2c(C)cccc2c(=O)[nH]1 |r,wU:8.11,wD:5.4,(8.67,-1.92,;7.34,-2.69,;7.34,-4.23,;6,-1.92,;4.67,-2.69,;3.33,-1.93,;3.33,-.39,;2,.38,;.67,-.39,;.67,-1.93,;2,-2.7,;-.67,.38,;-2,-.39,;-3.33,.38,;-4.67,-.39,;-6,.38,;-7.34,-.39,;-7.34,-1.93,;-8.67,.38,;-8.67,1.92,;-7.34,2.69,;-6,1.92,;-4.67,2.69,;-4.67,4.23,;-3.33,1.92,)|

BDBM434257

O=c1[nH]c(CSC2CCNCC2)nc2cc(NC3CCCC3)ccc12

BDBM434258

OC[C@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCCC3)ccc2c(=O)[nH]1 |r,wU:5.8,wD:2.1,(9.89,-2.69,;8.55,-3.46,;7.22,-2.69,;7.22,-1.15,;5.89,-.38,;4.55,-1.15,;4.55,-2.69,;5.89,-3.47,;3.22,-.38,;1.89,-1.15,;.55,-.38,;-.78,-1.15,;-2.12,-.38,;-3.45,-1.15,;-4.78,-.38,;-6.12,-1.15,;-7.45,-.38,;-7.61,1.15,;-9.12,1.47,;-9.89,.13,;-8.86,-1.01,;-4.78,1.15,;-3.45,1.93,;-2.12,1.15,;-.78,1.93,;-.78,3.47,;.55,1.15,)|

BDBM434259

Cc1cccc2c1nc(CS[C@H]1CC[C@H](CCN)CC1)[nH]c2=O |r,wU:11.11,wD:14.15,(-6.67,-2.69,;-6.67,-1.15,;-8,-.38,;-8,1.15,;-6.67,1.93,;-5.33,1.15,;-5.33,-.38,;-4,-1.15,;-2.67,-.38,;-1.33,-1.15,;,-.38,;1.33,-1.15,;2.67,-.38,;4,-1.15,;4,-2.69,;5.33,-3.46,;6.67,-2.69,;8,-3.46,;2.67,-3.47,;1.33,-2.69,;-2.67,1.15,;-4,1.93,;-4,3.47,)|

BDBM434260

Cc1cccc2c1nc(CSC1CC(CN)C1)[nH]c2=O |(-5.61,-2.92,;-5.61,-1.38,;-6.94,-.61,;-6.94,.93,;-5.61,1.7,;-4.28,.93,;-4.28,-.61,;-2.94,-1.38,;-1.61,-.61,;-.28,-1.38,;1.06,-.61,;2.39,-1.38,;2.79,-2.87,;4.28,-2.47,;5.61,-3.24,;6.94,-2.47,;3.88,-.98,;-1.61,.93,;-2.94,1.7,;-2.94,3.24,)|

BDBM434261

Cc1cccc2c1nc(CS[C@@H]1CC[C@@H](CCN)C1)[nH]c2=O |r|

BDBM434262

Fc1cc(NC2CCCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434263

c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)NC4CCCC4

BDBM434264

O=c1[nH]c(CSC2CCOCC2)nc2nc(NC3CCCC3)ccc12

BDBM434265

O=c1[nH]c(CSC2CCOCC2)nc2cc(N[C@H]3CCCOC3)ccc12 |r|

BDBM434266

O=c1[nH]c(CSC2CCOCC2)nc2cc(NC3CCCC3)cnc12

BDBM434267

O=c1[nH]c(CSC2CCOCC2)nc2cc(NC3CCCC3)ncc12

BDBM434268

O=c1[nH]c(CSC2CCCNCC2)nc2cc(NC3CCCC3)ccc12

BDBM434269

Cc1cccc2c1nc(CSC1CCC(CN)C1)[nH]c2=O

BDBM434270

Cc1cc(Nc2ccc3c(c2)nc(CSC2CCOCC2)[nH]c3=O)on1

BDBM434271

CS(=O)(=O)N1CCC[C@H](C1)Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O |r|

BDBM434272

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCC3)ccc2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(8.95,-3.46,;7.61,-2.69,;7.61,-1.15,;6.28,-.38,;4.94,-1.15,;4.94,-2.69,;6.28,-3.47,;3.61,-.38,;2.28,-1.15,;.94,-.38,;-.39,-1.15,;-1.72,-.38,;-3.06,-1.15,;-4.39,-.38,;-5.73,-1.15,;-7.06,-.38,;-7.46,1.1,;-8.95,.7,;-8.55,-.78,;-4.39,1.15,;-3.06,1.93,;-1.72,1.15,;-.39,1.93,;-.39,3.47,;.94,1.15,)|

BDBM434273

CS(=O)(=O)N1CC(C1)Nc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434274

CS(=O)(=O)N1CCC[C@H](C1)Nc1ccc2c(c1)nc(CSC1CCNCC1)[nH]c2=O |r|

BDBM434275

O=c1[nH]c(CSC2CCOCC2)nc2cc(OC3CCCC3)ccc12

BDBM434276

Cc1cccc2c1nc(CSC1CCCOCC1)[nH]c2=O

BDBM434277

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCCC3)cc(c2c(=O)[nH]1)C(F)(F)F |r,wU:4.7,wD:1.0,(9.22,-4.23,;7.89,-3.46,;7.89,-1.93,;6.55,-1.15,;5.22,-1.93,;5.22,-3.46,;6.55,-4.24,;3.89,-1.16,;2.55,-1.93,;1.22,-1.16,;-.11,-1.93,;-1.45,-1.16,;-2.78,-1.93,;-4.12,-1.16,;-5.45,-1.92,;-6.78,-1.15,;-6.94,.38,;-8.45,.7,;-9.22,-.64,;-8.19,-1.78,;-4.12,.38,;-2.78,1.15,;-1.45,.38,;-.11,1.15,;-.11,2.69,;1.22,.38,;-2.78,2.69,;-2.78,4.23,;-4.32,2.69,;-1.24,2.69,)|

BDBM434278

O=c1[nH]c(CSC2CCNCC2)nc2cc(NC3CCC3)ccc12

BDBM434279

CS(=O)(=O)N1CCC[C@H](C1)Nc1ccc2c(n1)nc(CSC1CCOCC1)[nH]c2=O |r|

BDBM434280

CC(C)Cc1ccc2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434281

Cc1cc(NC2CCCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434282

Cc1cccc2c1nc(CS[C@H]1CC[C@H](CC1)C(N)=O)[nH]c2=O |r,wU:11.11,14.18,(-5.33,-.77,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-2.67,.77,;-1.33,1.54,;,.77,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;5.33,-3.85,;6.67,-3.08,;5.33,-5.39,;-1.33,3.08,;-2.67,3.85,;-2.67,5.39,)|

BDBM434283

Cc1cccc2c1nc(CS[C@H]1CC[C@@H](CC1)C(N)=O)[nH]c2=O |r,wU:11.11,wD:14.18,(-5.33,-.77,;-5.33,.77,;-6.67,1.54,;-6.67,3.08,;-5.33,3.85,;-4,3.08,;-4,1.54,;-2.67,.77,;-1.33,1.54,;,.77,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;5.33,-3.85,;6.67,-3.08,;5.33,-5.39,;-1.33,3.08,;-2.67,3.85,;-2.67,5.39,)|

BDBM434284

Clc1cc(NC2CCCC2)cc2nc(CSC3CCNCC3)[nH]c(=O)c12

BDBM434285

COc1cc(NC2CCCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434286

COC(=O)N1CCC(CC1)SCc1nc2cc(NC3CCCC3)ccc2c(=O)[nH]1

BDBM434287

Cc1cccc2c1nc(CS[C@H]1CC[C@H](CC(N)=O)CC1)[nH]c2=O |r,wU:11.11,wD:14.15,(-6,-1.54,;-6,,;-7.34,.77,;-7.34,2.31,;-6,3.08,;-4.67,2.31,;-4.67,.77,;-3.33,,;-2,.77,;-.67,,;-.67,-1.54,;.67,-2.31,;2,-1.54,;3.33,-2.31,;3.33,-3.85,;4.67,-4.62,;6,-3.85,;7.34,-4.62,;6,-2.31,;2,-4.62,;.67,-3.85,;-2,2.31,;-3.33,3.08,;-3.33,4.62,)|

BDBM434288

F[C@H]1CNCC[C@@H]1SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1 |r|

BDBM434291

F[C@@H]1CNCC[C@@H]1SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1 |r|

BDBM434292

F[C@@H]1CNCC[C@@H]1SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1

BDBM434293

F[C@H]1CNCC[C@H]1SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1

BDBM434294

OCC(=O)N1CCC(CC1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1

BDBM434295

Fc1cc(NC2CCCC2)cc2nc(CSC3CCCCC3)[nH]c(=O)c12

BDBM434296

OC(=O)[C@@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1 |r,wU:6.9,3.2,(14.67,-6.93,;14.67,-5.39,;16,-4.62,;13.34,-4.62,;13.34,-3.08,;12,-2.31,;10.67,-3.08,;10.67,-4.62,;12,-5.39,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.74,-2.94,;-3.77,-1.79,;-3,-.46,;-1.49,-.78,;1.33,-.77,;2.67,,;2.67,1.54,;4,-.77,;5.33,,;5.33,1.54,;6.67,-.77,)|

BDBM434297

OC(=O)[C@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1 |r,wU:3.2,wD:6.9,(14.67,-6.93,;14.67,-5.39,;16,-4.62,;13.34,-4.62,;12,-5.39,;10.67,-4.62,;10.67,-3.08,;12,-2.31,;13.34,-3.08,;9.34,-2.31,;8,-3.08,;6.67,-2.31,;5.33,-3.08,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-2.74,-2.94,;-3.77,-1.79,;-3,-.46,;-1.49,-.78,;1.33,-.77,;2.67,,;2.67,1.54,;4,-.77,;5.33,,;5.33,1.54,;6.67,-.77,)|

BDBM434298

NC(=O)[C@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1 |r,wU:3.2,wD:6.9,(9.22,-3.08,;7.89,-3.85,;7.89,-5.39,;6.55,-3.08,;5.22,-3.85,;3.89,-3.08,;3.89,-1.54,;5.22,-.77,;6.55,-1.54,;2.55,-.77,;2.55,.77,;1.22,1.54,;-.11,.77,;-1.45,1.54,;-2.78,.77,;-4.12,1.54,;-5.45,.77,;-6.78,1.54,;-6.94,3.07,;-8.45,3.39,;-9.22,2.06,;-8.19,.91,;-4.12,3.08,;-2.78,3.85,;-2.78,5.39,;-1.45,3.08,;-.11,3.85,;-.11,5.39,;1.22,3.08,)|

BDBM434299

O=c1[nH]c(CSC2CCOCC2)nc2cc(OCC3CC3)ccc12

BDBM434300

CN(C)C(=O)N1CCC(CC1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1

BDBM434301

Cc1cccc2c1nc(CS[C@H]1CC[C@@H](CO)OC1)[nH]c2=O |r|

BDBM434302

Fc1cc(NC2CCCC2)cc2nc(CS[C@H]3CCNC[C@@H]3C(F)(F)F)[nH]c(=O)c12 |r|

BDBM434303

F[C@@H]1CNC[C@@H]1SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1 |r|

BDBM434304

OCc1cc(NC2CCCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434305

FCc1cc(NC2CCCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434306

Fc1cc2c(cc1NC1CCCC1)nc(CSC1CCNCC1)[nH]c2=O

BDBM434307

Fc1cc(NC2CCCC2)cc2nc(CS[C@H]3CCN[C@@H](C3)C(F)(F)F)[nH]c(=O)c12 |r|

BDBM434308

Fc1cc(NC2CCCC2)cc2nc(CS[C@H]3CCN[C@H](C3)C(F)(F)F)[nH]c(=O)c12 |r|

BDBM434309

O=c1[nH]c(CSC2CCNCC2)nc2nc(OCC3CC3)ccc12

BDBM434310

COc1cc2c(cc1NCC1CCC1)nc(CSC1CCNCC1)[nH]c2=O

BDBM434311

Fc1cc(NC2CCCC2(F)F)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434312

Fc1c(F)c2c(cc1NC1CCCC1)nc(CSC1CCNCC1)[nH]c2=O

BDBM434313

Fc1cc(N[C@H]2CC[C@@H](CC2)N2CCOCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12 |r,wU:8.11,wD:5.4,(2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;-2.67,,;-4,-.77,;-4,-2.31,;-2.67,-3.08,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-5.33,1.54,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;9.34,-2.31,;10.67,-3.08,;12,-2.31,;13.34,-3.08,;13.34,-4.62,;12,-5.39,;10.67,-4.62,;6.67,-.77,;5.33,,;5.33,1.54,;4,-.77,)|

BDBM434314

Fc1cc(N[C@H]2CC[C@H](CC2)N2CCOCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12 |r,wD:5.4,8.11,(2.67,1.54,;2.67,,;1.33,-.77,;1.33,-2.31,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;-2.67,,;-4,-.77,;-4,-2.31,;-2.67,-3.08,;-5.33,,;-6.67,-.77,;-8,,;-8,1.54,;-6.67,2.31,;-5.33,1.54,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;9.34,-2.31,;10.67,-3.08,;12,-2.31,;13.34,-3.08,;13.34,-4.62,;12,-5.39,;10.67,-4.62,;6.67,-.77,;5.33,,;5.33,1.54,;4,-.77,)|

BDBM434315

c1c(cc(c2c1N=C(NC2=O)CSC3CCC(CC3)O)F)OCC4CC4

BDBM434316

Fc1cc(OCC2CCOCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434317

Cc1cc(OCC2CCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434318

Fc1cc(OCC2CCOC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434319

Fc1cc(OC[C@@H]2CCOC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434320

Fc1cc(OC[C@H]2CCOC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434321

F[C@H]1CNCC[C@@H](C1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1 |r|

BDBM434322

F[C@@H]1CNCC[C@@H](C1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1 |r|

BDBM434323

NC[C@H]1CC[C@H](CO1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1 |r|

BDBM434324

NC[C@@]1(F)CC[C@@H](CC1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1 |r,wU:2.1,wD:6.9,2.2,(8.81,-2.7,;7.48,-3.46,;6.14,-2.7,;7.48,-1.93,;4.81,-3.46,;3.48,-2.7,;3.48,-1.15,;4.81,-.38,;6.14,-1.15,;2.14,-.38,;.81,-1.15,;-.52,-.38,;-1.86,-1.15,;-3.19,-.38,;-4.52,-1.15,;-5.86,-.38,;-7.19,-1.15,;-8.53,-.38,;-9.99,-.86,;-10.9,.38,;-9.99,1.63,;-8.53,1.15,;-5.86,1.15,;-4.52,1.93,;-4.52,3.46,;-3.19,1.15,;-1.86,1.93,;-1.86,3.46,;-.52,1.15,)|

BDBM434325

NC[C@]1(F)CC[C@@H](CC1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1 |r,wU:6.9,2.1,wD:2.2,(9.19,-2.49,;7.85,-3.26,;6.52,-2.49,;7.85,-1.72,;6.52,-.95,;5.19,-.18,;3.85,-.95,;3.85,-2.49,;5.19,-3.26,;2.52,-.18,;2.52,1.36,;1.18,2.13,;-.15,1.36,;-1.48,2.13,;-2.82,1.36,;-4.15,2.13,;-5.48,1.36,;-6.82,2.13,;-8.28,1.65,;-9.19,2.9,;-8.28,4.14,;-6.82,3.67,;-4.15,3.67,;-2.82,4.44,;-2.82,5.98,;-1.48,3.67,;-.15,4.44,;-.15,5.98,;1.18,3.67,)|

BDBM434326

Fc1cc2c(cc1NC1CCOCC1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434327

CN1CCC(CC1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1

BDBM434328

Fc1cc(NC2CCCCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434329

Fc1cc(NC2CCCCC2)cc2nc(CSC3CCNCC3)[nH]c(=O)c12

BDBM434330

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCCCC3)cc(F)c2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(8.67,-4.62,;7.34,-3.85,;7.34,-2.31,;6,-1.54,;4.67,-2.31,;4.67,-3.85,;6,-4.62,;3.33,-1.54,;3.33,,;2,.77,;.67,,;-.67,.77,;-2,,;-3.33,.77,;-4.67,,;-6,.77,;-6,2.31,;-7.34,3.08,;-8.67,2.31,;-8.67,.77,;-7.34,,;-3.33,2.31,;-2,3.08,;-2,4.62,;-.67,2.31,;.67,3.08,;.67,4.62,;2,2.31,)|

BDBM434331

CS(=O)(=O)N1CCC[C@H](C1)Nc1cc(F)c2c(c1)nc(CSC1CCOCC1)[nH]c2=O |r|

BDBM434332

Fc1cc(NC2CCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434333

O=c1[nH]c(CSC2CCOCC2)nc2cc(NCCC3CCCC3)ccc12

BDBM434334

Clc1cc(NC2CCCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434335

FC(F)(F)CN1CCC(CC1)SCc1nc2cc(NC3CCCC3)ccc2c(=O)[nH]1

BDBM434336

Fc1cc(NC2CCCC2)cc2nc(CSC3CCN(CC3)C3COC3)[nH]c(=O)c12

BDBM434337

O=c1[nH]c(CSC2CCOCC2)nc2cc(NCCC3CCOCC3)ccc12

BDBM434338

Cc1cc(NC2CCCC2)cc2nc(CSC3CCNCC3)[nH]c(=O)c12

BDBM434339

FC(F)CN1CCC(CC1)SCc1nc2cc(NC3CCCC3)ccc2c(=O)[nH]1

BDBM434340

FC(F)(F)CCN1CCC(CC1)SCc1nc2cc(NC3CCCC3)ccc2c(=O)[nH]1

BDBM434341

Cc1cccc2c1nc(CS[C@@H]1CCC[C@H](CO)O1)[nH]c2=O |r|

BDBM434342

Fc1cc(NCC2CCC2)cc2nc(CSC3CCNCC3)[nH]c(=O)c12

BDBM434343

Fc1cc(NCC2CC2(F)F)cc2nc(CSC3CCNCC3)[nH]c(=O)c12

BDBM434344

Fc1cc(NC2CCCC2)cc2nc(CSC3CCN(CC(F)(F)F)CC3)[nH]c(=O)c12

BDBM434345

CC(F)(F)CN1CCC(CC1)SCc1nc2cc(NC3CCCC3)ccc2c(=O)[nH]1

BDBM434346

Fc1cc(NCC2CC2)cc2nc(CSC3CCNCC3)[nH]c(=O)c12

BDBM434347

Fc1cc(NC2CCC(F)(F)C2)cc2nc(CSC3CCNCC3)[nH]c(=O)c12

BDBM434348

CS(=O)(=O)N1CCC[C@H](C1)Nc1ccc2c(c1)nc(CS[C@H]1CC[C@H](O)CC1)[nH]c2=O |r,wU:8.10,21.22,wD:24.26,(-8.59,-1.54,;-8.59,,;-9.36,1.33,;-10.08,-.4,;-7.26,.77,;-7.26,2.31,;-5.92,3.08,;-4.59,2.31,;-4.59,.77,;-5.92,,;-3.26,,;-1.92,.77,;-1.92,2.31,;-.59,3.08,;.74,2.31,;.74,.77,;-.59,,;2.08,,;3.41,.77,;4.74,,;4.74,-1.54,;6.08,-2.31,;7.41,-1.54,;8.75,-2.31,;8.75,-3.85,;10.08,-4.62,;7.41,-4.62,;6.08,-3.85,;3.41,2.31,;2.08,3.08,;2.08,4.62,)|

BDBM434349

CC(=O)N1CCC(CC1)SCc1nc2cc(N[C@@H]3CCCN(C3)S(C)(=O)=O)ccc2c(=O)[nH]1 |r|

BDBM434350

CS(=O)(=O)N1CCC[C@H](C1)Nc1cc(F)c2c(c1)nc(CS[C@H]1CC[C@H](O)CC1)[nH]c2=O |r,wU:8.10,22.23,wD:25.27,(-8.59,-1.54,;-8.59,,;-9.36,1.33,;-10.08,-.4,;-7.26,.77,;-7.26,2.31,;-5.92,3.08,;-4.59,2.31,;-4.59,.77,;-5.92,,;-3.26,,;-1.92,.77,;-1.92,2.31,;-.59,3.08,;-.59,4.62,;.74,2.31,;.74,.77,;-.59,,;2.08,,;3.41,.77,;4.74,,;4.74,-1.54,;6.08,-2.31,;7.41,-1.54,;8.75,-2.31,;8.75,-3.85,;10.08,-4.62,;7.41,-4.62,;6.08,-3.85,;3.41,2.31,;2.08,3.08,;2.08,4.62,)|

BDBM434351

Fc1cc(NC2CCCC2)cc2nc(CSC3CCS(=O)(=O)CC3)[nH]c(=O)c12

BDBM434352

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(NCC3CC3)cc(F)c2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(8.76,-4.62,;7.43,-3.85,;7.43,-2.31,;6.09,-1.54,;4.76,-2.31,;4.76,-3.85,;6.09,-4.62,;3.43,-1.54,;3.43,,;2.09,.77,;.76,,;-.57,.77,;-1.91,,;-3.24,.77,;-4.58,,;-5.91,.77,;-7.24,,;-8.76,.26,;-8.23,-1.18,;-3.24,2.31,;-1.91,3.08,;-1.91,4.62,;-.57,2.31,;.76,3.08,;.76,4.62,;2.09,2.31,)|

BDBM434353

Fc1cc(NCC2CCOCC2)cc2nc(CSC3CCNCC3)[nH]c(=O)c12

BDBM434354

Fc1cc(NC2CCCC2)cc2nc(CSC3CCN(CC3)C3CS(=O)(=O)C3)[nH]c(=O)c12

BDBM434355

Fc1cc(NCC2CC2)cc2nc(CSC3CCN(CC3)C3COC3)[nH]c(=O)c12

BDBM434356

O=c1[nH]c(CSC2CCNCC2)nc2cc(OCC3CC3)ccc12

BDBM434357

CS(=O)(=O)CCN1CCC(CC1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1

BDBM434358

Fc1cc(NCCN2CCOCC2)cc2nc(CSC3CCNCC3)[nH]c(=O)c12

BDBM434359

Fc1cc(OCC2CC2)cc2nc(CSC3CCNCC3)[nH]c(=O)c12

BDBM434360

CC(C)(O)C(=O)N1CCC(CC1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1

BDBM434361

Fc1cc(OCC2CCC2)cc2nc(CSC3CCNCC3)[nH]c(=O)c12

BDBM434362

Fc1cc(NC2CCCC2)cc2nc(CSC3CCN(Cc4ccccn4)CC3)[nH]c(=O)c12

BDBM434363

Fc1cc(OCC2CCCC2)cc2nc(CSC3CCNCC3)[nH]c(=O)c12

BDBM434364

CNC(=O)CN1CCC(CC1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1

BDBM434365

Cc1cc(NCC2CC2(F)F)cc2nc(CSC3CCNCC3)[nH]c(=O)c12

BDBM434366

Fc1cc(NC2CCCC2)cc2nc(CSC3CCN(CC#N)CC3)[nH]c(=O)c12

BDBM434367

NC(=O)C[C@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCCC3)cc(F)c2c(=O)[nH]1 |r,wU:7.10,wD:4.3,(9.89,-4.62,;8.55,-3.85,;8.55,-2.31,;7.22,-4.62,;5.89,-3.85,;5.89,-2.31,;4.55,-1.54,;3.22,-2.31,;3.22,-3.85,;4.55,-4.62,;1.89,-1.54,;1.89,,;.55,.77,;-.78,,;-2.12,.77,;-3.45,,;-4.78,.77,;-6.12,,;-7.45,.77,;-7.61,2.3,;-9.12,2.62,;-9.89,1.29,;-8.86,.14,;-4.78,2.31,;-3.45,3.08,;-3.45,4.62,;-2.12,2.31,;-.78,3.08,;-.78,4.62,;.55,2.31,)|

BDBM434368

Fc1cc(NCCN2CCOCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434369

Fc1cc(NC2CCN(CC(F)(F)F)CC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434370

Fc1cc2c(cc1NCC1CCC1)nc(CSC1CCNCC1)[nH]c2=O

BDBM434371

Fc1cc2c(cc1NC1CCCCC1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434372

Fc1cc(OCC2CC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434373

Fc1cc2c(cc1NCC1CC1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434374

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCCC3)c(F)cc2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(8.55,-4.62,;7.22,-3.85,;7.22,-2.31,;5.89,-1.54,;4.55,-2.31,;4.55,-3.85,;5.89,-4.62,;3.22,-1.54,;3.22,,;1.89,.77,;.55,,;-.78,.77,;-2.12,,;-3.45,.77,;-4.78,,;-6.12,.77,;-6.28,2.3,;-7.78,2.62,;-8.55,1.29,;-7.52,.14,;-3.45,2.31,;-4.78,3.08,;-2.12,3.08,;-.78,2.31,;.55,3.08,;.55,4.62,;1.89,2.31,)|

BDBM434375

Fc1c(F)c2c(cc1NC1CCCC1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434376

F[C@H]1CNCC[C@H]1SCc1nc2cc(OCC3CC3)cc(F)c2c(=O)[nH]1 |r|

BDBM434377

Fc1cc2c(cc1NCC1CCC1)nc(CSC1CCS(=O)(=O)CC1)[nH]c2=O

BDBM434378

F[C@@H]1CNCC[C@H]1SCc1nc2cc(OCC3CC3)cc(F)c2c(=O)[nH]1 |r|

BDBM434379

Fc1cc(OCC2CCN(CCC(F)(F)F)CC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434380

CC(F)(F)CN1CCC(COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)CC1

BDBM434381

FC(F)CN1CCC(COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)CC1

BDBM434382

Fc1cc(OCC2CCN(CC2)C2COC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434383

Fc1cc(NC2CCN(CC2)C2COC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434384

F[C@@H]1CNCC[C@@H]1SCc1nc2cc(NCC3CCC3)c(F)cc2c(=O)[nH]1 |r|

BDBM434385

Fc1cc(OCC2CCC2)cc2nc(CSC3CCS(=O)(=O)CC3)[nH]c(=O)c12

BDBM434386

F[C@H]1CCC[C@@H]1Nc1cc(F)c2c(c1)nc(CSC1CCOCC1)[nH]c2=O |r|

BDBM434387

CC(C)COc1cc(F)c2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434388

OCC(=O)N1CCC(CC1)SCc1nc2cc(OCC3CCC3)cc(F)c2c(=O)[nH]1

BDBM434389

CC1(C)CC(CCO1)SCc1nc2cc(OCC3CCC3)cc(F)c2c(=O)[nH]1

BDBM434390

Fc1cc(OCC2CCC2)cc2nc(CSC3CCCCC3)[nH]c(=O)c12

BDBM434391

Fc1c(F)c2c(cc1NC1CCCC1)nc(CSC1CCCCC1)[nH]c2=O

BDBM434392

NC(=O)[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CCC3)cc(F)c2c(=O)[nH]1 |r,wU:6.9,wD:3.2,(10.28,-1.93,;8.95,-2.7,;8.95,-4.24,;7.61,-1.93,;7.61,-.39,;6.28,.38,;4.94,-.39,;4.94,-1.93,;6.28,-2.7,;3.61,.38,;2.28,-.39,;.94,.38,;-.39,-.39,;-1.72,.38,;-3.06,-.39,;-4.39,.38,;-5.73,-.38,;-7.06,.39,;-8.39,-.38,;-9.88,.01,;-10.28,-1.47,;-8.79,-1.87,;-4.39,1.92,;-3.06,2.7,;-3.06,4.24,;-1.72,1.92,;-.39,2.69,;-.39,4.23,;.94,1.92,)|

BDBM434393

FC(F)CN1CCCC(COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)C1

BDBM434394

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCCC3)c(F)c(F)c2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(8.55,-4.62,;7.22,-3.85,;7.22,-2.31,;5.89,-1.54,;4.55,-2.31,;4.55,-3.85,;5.89,-4.62,;3.22,-1.54,;3.22,,;1.89,.77,;.55,,;-.78,.77,;-2.12,,;-3.45,.77,;-4.78,,;-6.12,.77,;-6.28,2.3,;-7.78,2.62,;-8.55,1.29,;-7.52,.14,;-3.45,2.31,;-4.78,3.08,;-2.12,3.08,;-2.12,4.62,;-.78,2.31,;.55,3.08,;.55,4.62,;1.89,2.31,)|

BDBM434395

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CCCC3)cc(F)c2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(9.89,-3.47,;8.55,-2.7,;8.55,-1.16,;7.22,-.39,;5.89,-1.16,;5.89,-2.7,;7.22,-3.47,;4.55,-.39,;3.22,-1.16,;1.89,-.39,;.55,-1.16,;-.78,-.39,;-2.12,-1.16,;-3.45,-.39,;-4.78,-1.15,;-6.12,-.38,;-7.45,-1.15,;-8.86,-.53,;-9.89,-1.67,;-9.12,-3.01,;-7.61,-2.69,;-3.45,1.15,;-2.12,1.93,;-2.12,3.47,;-.78,1.15,;.55,1.92,;.55,3.46,;1.89,1.15,)|

BDBM434396

Fc1cc(OCC2CC2(F)F)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434397

Fc1c(F)c2c(cc1NC1CCCC1)nc(CSC1CCS(=O)(=O)CC1)[nH]c2=O

BDBM434398

Fc1cc(OCC2CC(F)(F)C2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434399

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CCCOC3)cc(F)c2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(9.34,-4.62,;8,-3.85,;8,-2.31,;6.67,-1.54,;5.33,-2.31,;5.33,-3.85,;6.67,-4.62,;4,-1.54,;4,,;2.67,.77,;1.33,,;,.77,;-1.33,,;-2.67,.77,;-4,,;-5.33,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.31,;-6.67,-1.54,;-2.67,2.31,;-1.33,3.08,;-1.33,4.62,;,2.31,;1.33,3.08,;1.33,4.62,;2.67,2.31,)|

BDBM434400

Fc1cc(OCC2CCCOC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434401

Fc1cc(OCC2CCCO2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434402

Fc1cc(OC[C@@H]2CCCO2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12 |r|

BDBM434404

Fc1c(F)c2c(cc1NCC1CCOC1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434405

Fc1c(F)c2c(cc1NC[C@H]1CCOC1)nc(CSC1CCOCC1)[nH]c2=O |r|

BDBM434407

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CCOC3)cc(F)c2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(9.85,-3.46,;8.52,-2.7,;8.52,-1.16,;7.19,-.38,;5.85,-1.16,;5.85,-2.7,;7.19,-3.46,;4.52,-.38,;3.19,-1.16,;1.85,-.38,;.52,-1.16,;-.82,-.38,;-2.15,-1.16,;-3.48,-.38,;-4.82,-1.16,;-6.15,-.38,;-7.48,-1.16,;-7.48,-2.7,;-8.95,-3.17,;-9.85,-1.92,;-8.95,-.68,;-3.48,1.16,;-2.15,1.92,;-2.15,3.46,;-.82,1.16,;.52,1.92,;.52,3.46,;1.85,1.16,)|

BDBM434408

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(OC[C@H]3CCOC3)cc(F)c2c(=O)[nH]1 |r,wU:4.7,16.16,wD:1.0,(9.85,-7.91,;8.52,-7.14,;8.52,-5.6,;7.19,-4.83,;5.85,-5.6,;5.85,-7.14,;7.19,-7.91,;4.52,-4.83,;3.19,-5.6,;1.85,-4.83,;.52,-5.6,;-.82,-4.83,;-2.15,-5.6,;-3.48,-4.83,;-4.82,-5.6,;-6.15,-4.83,;-7.48,-5.6,;-7.48,-7.14,;-8.95,-7.62,;-9.85,-6.37,;-8.95,-5.13,;-3.48,-3.29,;-2.15,-2.52,;-2.15,-.98,;-.82,-3.29,;.52,-2.52,;.52,-.98,;1.85,-3.29,)|

BDBM434410

CN1CC[C@H](COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)[C@@H](F)C1 |r|

BDBM434413

CO[C@@H]1C[C@@H](C1)Nc1cc2nc(CSC3CCOCC3)[nH]c(=O)c2c(F)c1F |r,wU:4.6,2.1,(-9.61,.7,;-8.28,1.47,;-6.94,.7,;-6.55,-.78,;-5.06,-.38,;-5.46,1.1,;-3.72,-1.15,;-2.39,-.38,;-1.06,-1.15,;.28,-.38,;1.61,-1.15,;2.94,-.38,;4.28,-1.15,;5.61,-.38,;6.94,-1.15,;6.94,-2.69,;8.28,-3.47,;9.61,-2.69,;9.61,-1.15,;8.28,-.38,;2.94,1.15,;1.61,1.93,;1.61,3.47,;.28,1.15,;-1.06,1.93,;-1.06,3.47,;-2.39,1.15,;-3.72,1.93,)|

BDBM434414

CC(=O)N[C@H]1CC[C@H](CC1)SCc1nc2cc(OCC3CC3)cc(F)c2c(=O)[nH]1 |r,wU:7.10,4.3,(10.77,-3.46,;9.44,-2.7,;9.44,-1.15,;8.11,-3.46,;6.77,-2.7,;5.44,-3.46,;4.1,-2.7,;4.1,-1.15,;5.44,-.39,;6.77,-1.15,;2.77,-.39,;1.44,-1.15,;.1,-.39,;-1.23,-1.15,;-2.56,-.39,;-3.9,-1.15,;-5.23,-.39,;-6.57,-1.15,;-7.9,-.39,;-9.23,-1.15,;-10.77,-1.15,;-10,-2.49,;-5.23,1.15,;-3.9,1.93,;-3.9,3.46,;-2.56,1.15,;-1.23,1.93,;-1.23,3.46,;.1,1.15,)|

BDBM434415

CC(=O)N[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CC3)cc(F)c2c(=O)[nH]1 |r,wU:4.3,wD:7.10,(10.77,-3.46,;9.44,-2.7,;9.44,-1.15,;8.11,-3.46,;6.77,-2.7,;5.44,-3.46,;4.1,-2.7,;4.1,-1.15,;5.44,-.39,;6.77,-1.15,;2.77,-.39,;1.44,-1.15,;.1,-.39,;-1.23,-1.15,;-2.56,-.39,;-3.9,-1.15,;-5.23,-.39,;-6.57,-1.15,;-7.9,-.39,;-9.23,-1.15,;-10.77,-1.15,;-10,-2.49,;-5.23,1.15,;-3.9,1.93,;-3.9,3.46,;-2.56,1.15,;-1.23,1.93,;-1.23,3.46,;.1,1.15,)|

BDBM434416

CCO[C@@H]1C[C@@H](C1)Nc1cc2nc(CSC3CCOCC3)[nH]c(=O)c2c(F)c1F |r,wU:5.7,3.2,(-10.28,1.47,;-8.95,.7,;-7.61,1.47,;-6.28,.7,;-5.88,-.78,;-4.39,-.38,;-4.79,1.1,;-3.06,-1.16,;-1.72,-.38,;-.39,-1.16,;.94,-.38,;2.28,-1.16,;3.61,-.38,;4.94,-1.16,;6.28,-.38,;7.61,-1.16,;7.61,-2.7,;8.95,-3.46,;10.28,-2.7,;10.28,-1.16,;8.95,-.38,;3.61,1.16,;2.28,1.92,;2.28,3.46,;.94,1.16,;-.39,1.92,;-.39,3.46,;-1.72,1.16,;-3.06,1.92,)|

BDBM434417

C[C@]1(O)CC[C@@H](CC1)SCc1nc2cc(OCC3CCOCC3)cc(F)c2c(=O)[nH]1 |r,wU:5.8,1.0,wD:1.1,(9.34,-3.75,;8.57,-2.41,;10.11,-2.41,;8.57,-.87,;7.23,-.1,;5.9,-.87,;5.9,-2.41,;7.23,-3.18,;4.56,-.1,;3.23,-.87,;1.9,-.1,;.56,-.87,;-.77,-.1,;-2.1,-.87,;-3.44,-.1,;-4.77,-.87,;-6.1,-.1,;-7.44,-.87,;-7.44,-2.41,;-8.77,-3.18,;-10.11,-2.41,;-10.11,-.87,;-8.77,-.1,;-3.44,1.44,;-2.1,2.21,;-2.1,3.75,;-.77,1.44,;.56,2.21,;.56,3.75,;1.9,1.44,)|

BDBM434418

CC(=O)N1CCC(COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)CC1

BDBM434419

CN1CC[C@H](COc2cc(F)c3c(c2)nc(CS[C@H]2CC[C@H](O)CC2)[nH]c3=O)[C@@H](F)C1 |r,wU:18.18,28.31,wD:4.4,21.22,(-10.67,-3.46,;-9.34,-2.7,;-9.34,-1.15,;-8,-.38,;-6.67,-1.15,;-5.33,-.38,;-4,-1.15,;-2.67,-.38,;-2.67,1.15,;-1.33,1.93,;-1.33,3.46,;,1.15,;,-.38,;-1.33,-1.15,;1.33,-1.15,;2.67,-.38,;4,-1.15,;5.33,-.38,;6.67,-1.15,;8,-.38,;9.34,-1.15,;9.34,-2.7,;10.67,-3.46,;8,-3.46,;6.67,-2.7,;2.67,1.15,;1.33,1.93,;1.33,3.46,;-6.67,-2.7,;-5.33,-3.46,;-8,-3.46,)|

BDBM434420

CN1CC[C@H](COc2cc(F)c3c(c2)nc(CS[C@H]2CC[C@H](O)CC2)[nH]c3=O)[C@@H](F)C1 |r,wU:18.18,28.31,wD:4.4,21.22,(-10.67,-7.93,;-9.34,-7.16,;-9.34,-5.62,;-8,-4.85,;-6.67,-5.62,;-5.33,-4.85,;-4,-5.62,;-2.67,-4.85,;-2.67,-3.31,;-1.33,-2.54,;-1.33,-1,;,-3.31,;,-4.85,;-1.33,-5.62,;1.33,-5.62,;2.67,-4.85,;4,-5.62,;5.33,-4.85,;6.67,-5.62,;8,-4.85,;9.34,-5.62,;9.34,-7.16,;10.67,-7.93,;8,-7.93,;6.67,-7.16,;2.67,-3.31,;1.33,-2.54,;1.33,-1,;-6.67,-7.16,;-5.33,-7.93,;-8,-7.93,)|

BDBM434422

NC[C@@]1(F)CC[C@@H](CC1)SCc1nc2cc(OCC3CCC3)cc(F)c2c(=O)[nH]1 |r,wU:6.9,2.2,wD:2.1,(10.1,-1.08,;9.33,-2.41,;7.79,-2.41,;8.56,-3.75,;7.79,-.87,;6.46,-.1,;5.12,-.87,;5.12,-2.41,;6.46,-3.18,;3.79,-.1,;2.46,-.87,;1.12,-.1,;-.21,-.87,;-1.55,-.1,;-2.88,-.87,;-4.21,-.1,;-5.55,-.87,;-6.88,-.1,;-8.21,-.87,;-9.7,-.47,;-10.1,-1.96,;-8.61,-2.36,;-4.21,1.44,;-2.88,2.21,;-2.88,3.75,;-1.55,1.44,;-.21,2.21,;-.21,3.75,;1.12,1.44,)|

BDBM434423

Fc1c(F)c2c(cc1NCC1CC1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434424

Fc1c(F)c2c(cc1NCC1CCOCC1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434425

Fc1c(F)c2c(cc1NCC1CCC1)nc(CSC1CCS(=O)(=O)CC1)[nH]c2=O

BDBM434426

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(N[C@H]3CCC[C@@H]3F)cc(F)c2c(=O)[nH]1 |r,wU:15.15,4.7,wD:1.0,19.21,(9.22,-3.47,;7.89,-2.69,;7.89,-1.15,;6.55,-.38,;5.22,-1.15,;5.22,-2.69,;6.55,-3.47,;3.89,-.38,;2.55,-1.15,;1.22,-.38,;-.11,-1.15,;-1.45,-.38,;-2.78,-1.15,;-4.12,-.38,;-5.45,-1.15,;-6.78,-.38,;-8.19,-1.01,;-9.22,.13,;-8.45,1.47,;-6.94,1.15,;-5.8,2.18,;-4.12,1.15,;-2.78,1.93,;-2.79,3.46,;-1.45,1.15,;-.11,1.93,;-.11,3.47,;1.22,1.15,)|

BDBM434427

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(N[C@@H]3CCC[C@@H]3F)cc(F)c2c(=O)[nH]1 |r,wU:4.7,wD:15.15,1.0,19.21,(9.22,-3.47,;7.89,-2.69,;7.89,-1.15,;6.55,-.38,;5.22,-1.15,;5.22,-2.69,;6.55,-3.47,;3.89,-.38,;2.55,-1.15,;1.22,-.38,;-.11,-1.15,;-1.45,-.38,;-2.78,-1.15,;-4.12,-.38,;-5.45,-1.15,;-6.78,-.38,;-8.19,-1.01,;-9.22,.13,;-8.45,1.47,;-6.94,1.15,;-5.8,2.18,;-4.12,1.15,;-2.78,1.93,;-2.79,3.46,;-1.45,1.15,;-.11,1.93,;-.11,3.47,;1.22,1.15,)|

BDBM434428

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CCOCC3)cc(F)c2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(10,-3.47,;8.67,-2.69,;8.67,-1.15,;7.34,-.38,;6,-1.15,;6,-2.69,;7.34,-3.47,;4.67,-.38,;3.33,-1.15,;2,-.38,;.67,-1.15,;-.67,-.38,;-2,-1.15,;-3.33,-.38,;-4.67,-1.15,;-6,-.38,;-7.34,-1.15,;-8.67,-.38,;-10,-1.15,;-10,-2.69,;-8.67,-3.47,;-7.34,-2.69,;-3.33,1.15,;-2,1.93,;-2.01,3.46,;-.67,1.15,;.67,1.93,;.67,3.47,;2,1.15,)|

BDBM434429

Fc1cc(OCC2COC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434430

Fc1cc(OCC2COCCO2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434431

Fc1cc(NC2CCCCC2(F)F)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434432

CN1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1cc2nc(CSC3CCOCC3)[nH]c(=O)c2c(F)c1F |r,wU:10.14,wD:7.7,(-11.34,3.85,;-10,3.08,;-8.67,3.85,;-7.34,3.08,;-7.34,1.54,;-8.67,.77,;-10,1.54,;-6,.77,;-6,-.77,;-4.67,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-2,-1.54,;-.67,-.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;8.67,-3.08,;10,-3.85,;11.34,-3.08,;11.34,-1.54,;10,-.77,;4.67,.77,;3.33,1.54,;3.33,3.08,;2,.77,;.67,1.54,;.66,3.08,;-.67,.77,;-2,1.54,)|

BDBM434433

CN1CCN(CC1)[C@@H]1CC[C@@H](CC1)Nc1cc2nc(CSC3CCOCC3)[nH]c(=O)c2c(F)c1F |r,wU:10.14,7.7,(-11.34,3.85,;-10,3.08,;-8.67,3.85,;-7.34,3.08,;-7.34,1.54,;-8.67,.77,;-10,1.54,;-6,.77,;-6,-.77,;-4.67,-1.54,;-3.33,-.77,;-3.33,.77,;-4.67,1.54,;-2,-1.54,;-.67,-.77,;.67,-1.54,;2,-.77,;3.33,-1.54,;4.67,-.77,;6,-1.54,;7.34,-.77,;8.67,-1.54,;8.67,-3.08,;10,-3.85,;11.34,-3.08,;11.34,-1.54,;10,-.77,;4.67,.77,;3.33,1.54,;3.33,3.08,;2,.77,;.67,1.54,;.66,3.08,;-.67,.77,;-2,1.54,)|

BDBM434434

Fc1c(F)c2c(cc1N[C@@H]1CCCOC1)nc(CSC1CCOCC1)[nH]c2=O |r|

BDBM434435

CC(=O)N1CC[C@H](C1)Nc1cc2nc(CS[C@H]3CC[C@H](O)CC3)[nH]c(=O)c2c(F)c1F |r,wU:6.8,16.16,wD:19.20,(-10.16,-1.43,;-9.53,-.03,;-10.44,1.22,;-8,.13,;-7.23,1.47,;-5.73,1.15,;-5.57,-.38,;-6.97,-1.01,;-4.23,-1.15,;-2.9,-.38,;-1.56,-1.15,;-.23,-.38,;1.1,-1.15,;2.44,-.38,;3.77,-1.15,;5.1,-.38,;6.44,-1.15,;7.77,-.38,;9.11,-1.15,;9.11,-2.69,;10.44,-3.47,;7.77,-3.47,;6.44,-2.69,;2.44,1.15,;1.1,1.93,;1.1,3.47,;-.23,1.15,;-1.56,1.93,;-1.57,3.46,;-2.9,1.15,;-4.23,1.93,)|

BDBM434436

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCCC3(F)F)cc(F)c2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(9.22,-3.47,;7.89,-2.69,;7.89,-1.15,;6.55,-.38,;5.22,-1.15,;5.22,-2.69,;6.55,-3.47,;3.89,-.38,;2.55,-1.15,;1.22,-.38,;-.11,-1.15,;-1.45,-.38,;-2.78,-1.15,;-4.12,-.38,;-5.45,-1.15,;-6.78,-.38,;-8.19,-1.01,;-9.22,.13,;-8.45,1.47,;-6.94,1.15,;-5.46,1.55,;-6.55,2.63,;-4.12,1.15,;-2.78,1.93,;-2.79,3.46,;-1.45,1.15,;-.11,1.93,;-.11,3.47,;1.22,1.15,)|

BDBM434437

Fc1cc(OCC2CCS(=O)(=O)CC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434438

F[C@H]1CNCC[C@@H]1COc1cc(F)c2c(c1)nc(CSC1CCOCC1)[nH]c2=O |r|

BDBM434439

Clc1cc(OCC2CCOCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434440

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCN(CCC(F)(F)F)CC3)c(F)c(F)c2c(=O)[nH]1 |r,wU:4.7,wD:1.0,(12,-3.47,;10.67,-2.69,;10.67,-1.15,;9.34,-.38,;8,-1.15,;8,-2.69,;9.34,-3.47,;6.67,-.38,;5.33,-1.15,;4,-.38,;2.67,-1.15,;1.33,-.38,;,-1.15,;-1.33,-.38,;-2.67,-1.15,;-4,-.38,;-5.33,-1.15,;-6.67,-.38,;-6.67,1.15,;-8,1.92,;-9.34,1.15,;-10.67,1.92,;-10.67,3.46,;-12,1.15,;-12,2.69,;-5.33,1.92,;-4,1.15,;-1.33,1.15,;-2.67,1.93,;,1.93,;,3.47,;1.33,1.15,;2.67,1.93,;2.67,3.47,;4,1.15,)|

BDBM434441

CC1(C)CC(COc2cc(F)c3c(c2)nc(CS[C@H]2CC[C@H](O)CC2)[nH]c3=O)CO1 |r,wU:18.18,wD:21.22,(-10.55,-.9,;-9.22,-1.67,;-10.55,-2.44,;-8.19,-.53,;-6.78,-1.15,;-5.45,-.38,;-4.12,-1.15,;-2.78,-.38,;-2.78,1.15,;-1.45,1.93,;-1.45,3.47,;-.11,1.15,;-.11,-.38,;-1.45,-1.15,;1.22,-1.15,;2.55,-.38,;3.89,-1.15,;5.22,-.38,;6.55,-1.15,;7.89,-.38,;9.22,-1.15,;9.22,-2.69,;10.55,-3.47,;7.89,-3.47,;6.55,-2.69,;2.55,1.15,;1.22,1.93,;1.22,3.47,;-6.94,-2.69,;-8.45,-3.01,)|

BDBM434442

CO[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CCOCC3)cc(F)c2c(=O)[nH]1 |r,wU:5.8,wD:2.1,(10.67,-2.69,;9.34,-3.47,;8,-2.69,;8,-1.15,;6.67,-.38,;5.33,-1.15,;5.33,-2.69,;6.67,-3.47,;4,-.38,;2.67,-1.15,;1.33,-.38,;,-1.15,;-1.33,-.38,;-2.67,-1.15,;-4,-.38,;-5.33,-1.15,;-6.67,-.38,;-8,-1.15,;-9.34,-.38,;-10.67,-1.15,;-10.67,-2.69,;-9.34,-3.47,;-8,-2.69,;-4,1.15,;-2.67,1.93,;-2.67,3.47,;-1.33,1.15,;,1.93,;,3.47,;1.33,1.15,)|

BDBM434443

CO[C@H]1CC[C@H](CC1)SCc1nc2cc(OCC3CCOCC3)cc(F)c2c(=O)[nH]1 |r,wU:5.8,2.1,(10.67,-2.69,;9.34,-3.47,;8,-2.69,;6.67,-3.47,;5.33,-2.69,;5.33,-1.15,;6.67,-.38,;8,-1.15,;4,-.38,;2.67,-1.15,;1.33,-.38,;,-1.15,;-1.33,-.38,;-2.67,-1.15,;-4,-.38,;-5.33,-1.15,;-6.67,-.38,;-8,-1.15,;-9.34,-.38,;-10.67,-1.15,;-10.67,-2.69,;-9.34,-3.47,;-8,-2.69,;-4,1.15,;-2.67,1.93,;-2.67,3.47,;-1.33,1.15,;,1.93,;,3.47,;1.33,1.15,)|

BDBM434444

CC1(CCOCC1)SCc1nc2cc(OCC3CCOCC3)cc(F)c2c(=O)[nH]1

BDBM434445

O[C@@H]1CCC[C@@H]1COc1cc(F)c2c(c1)nc(CSC1CCOCC1)[nH]c2=O |r|

BDBM434446

Fc1c(F)c2c(cc1N[C@H]1CC[C@@H](CC1)C#N)nc(CSC1CCOCC1)[nH]c2=O |r,wU:12.16,wD:9.9,(-3.33,1.93,;-2,1.15,;-.67,1.93,;-.67,3.47,;.67,1.15,;.67,-.38,;-.67,-1.15,;-2,-.38,;-3.33,-1.15,;-4.67,-.38,;-4.67,1.15,;-6,1.93,;-7.34,1.15,;-7.34,-.38,;-6,-1.15,;-8.67,1.93,;-10,2.69,;2,-1.15,;3.33,-.38,;4.67,-1.15,;6,-.38,;7.34,-1.15,;7.34,-2.69,;8.67,-3.47,;10,-2.69,;10,-1.15,;8.67,-.38,;3.33,1.15,;2,1.93,;2,3.47,)|

BDBM434447

Fc1c(F)c2c(cc1N[C@H]1CC[C@H](CC1)C#N)nc(CSC1CCOCC1)[nH]c2=O |r,wU:9.9,12.16,(-3.33,1.93,;-2,1.15,;-.67,1.93,;-.67,3.47,;.67,1.15,;.67,-.38,;-.67,-1.15,;-2,-.38,;-3.33,-1.15,;-4.67,-.38,;-6,-1.15,;-7.34,-.38,;-7.34,1.15,;-6,1.93,;-4.67,1.15,;-8.67,1.93,;-10,2.69,;2,-1.15,;3.33,-.38,;4.67,-1.15,;6,-.38,;7.34,-1.15,;7.34,-2.69,;8.67,-3.47,;10,-2.69,;10,-1.15,;8.67,-.38,;3.33,1.15,;2,1.93,;2,3.47,)|

BDBM434448

CO[C@H]1C[C@@H](C1)Nc1cc2nc(CSC3CCOCC3)[nH]c(=O)c2c(F)c1F |r,wU:4.6,wD:2.1,(-9.61,.7,;-8.28,1.47,;-6.94,.7,;-6.55,-.78,;-5.06,-.38,;-5.46,1.1,;-3.72,-1.15,;-2.39,-.38,;-1.06,-1.15,;.28,-.38,;1.61,-1.15,;2.94,-.38,;4.28,-1.15,;5.61,-.38,;6.94,-1.15,;6.94,-2.69,;8.28,-3.47,;9.61,-2.69,;9.61,-1.15,;8.28,-.38,;2.94,1.15,;1.61,1.93,;1.61,3.47,;.28,1.15,;-1.06,1.93,;-1.06,3.47,;-2.39,1.15,;-3.72,1.93,)|

BDBM434449

CO[C@@H]1C[C@@H](C1)Nc1cc2nc(CS[C@H]3CC[C@H](O)CC3)[nH]c(=O)c2c(F)c1F |r,wU:4.6,14.14,2.1,wD:17.18,(-10.28,.7,;-8.95,1.47,;-7.61,.7,;-7.21,-.78,;-5.73,-.38,;-6.12,1.1,;-4.39,-1.15,;-3.06,-.38,;-1.72,-1.15,;-.39,-.38,;.94,-1.15,;2.28,-.38,;3.61,-1.15,;4.94,-.38,;6.28,-1.15,;7.61,-.38,;8.95,-1.15,;8.95,-2.69,;10.28,-3.46,;7.61,-3.47,;6.28,-2.69,;2.28,1.15,;.94,1.93,;.94,3.47,;-.39,1.15,;-1.72,1.93,;-1.72,3.47,;-3.06,1.15,;-4.39,1.93,)|

BDBM434450

Cc1cc(OCC2CCOCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434451

O[C@H]1CC[C@H](CC1)SCc1nc2cc(OCC3CCOCC3)cc(F)c2c(=O)[nH]1 |r,wU:4.7,1.0,(10,-3.46,;8.67,-2.69,;7.34,-3.47,;6,-2.69,;6,-1.15,;7.34,-.38,;8.67,-1.15,;4.67,-.38,;3.33,-1.15,;2,-.38,;.67,-1.15,;-.67,-.38,;-2,-1.15,;-3.33,-.38,;-4.67,-1.15,;-6,-.38,;-7.34,-1.15,;-8.67,-.38,;-10,-1.15,;-10,-2.69,;-8.67,-3.47,;-7.34,-2.69,;-3.33,1.15,;-2,1.93,;-2,3.47,;-.67,1.15,;.67,1.93,;.67,3.47,;2,1.15,)|

BDBM434452

Fc1cc(OCC2CCOCC2)cc2nc(CSC3CCC(F)(F)CC3)[nH]c(=O)c12

BDBM434453

CC(=O)N1CCC(COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)C1

BDBM434454

Fc1cc(CCC2CCCCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434455

CC(=O)N1CCC(CNc2cc3nc(CSC4CCOCC4)[nH]c(=O)c3c(F)c2F)CC1

BDBM434456

Fc1cc(SCC2CCOCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434457

F[C@@H]1CNC[C@@H]1COc1cc(F)c2c(c1)nc(CSC1CCOCC1)[nH]c2=O |r|

BDBM434458

CN1C[C@@H](F)[C@@H](COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)C1 |r|

BDBM434459

C[C@]1(O)CC[C@@H](CC1)SCc1nc2cc(OCC3CCOC3)cc(F)c2c(=O)[nH]1 |r,wU:5.8,1.0,wD:1.1,(9.22,-3.75,;8.45,-2.41,;9.99,-2.41,;8.45,-.87,;7.12,-.1,;5.78,-.87,;5.78,-2.41,;7.12,-3.18,;4.45,-.1,;3.12,-.87,;1.78,-.1,;.45,-.87,;-.89,-.1,;-2.22,-.87,;-3.55,-.1,;-4.89,-.87,;-6.22,-.1,;-7.55,-.87,;-8.96,-.25,;-9.99,-1.39,;-9.22,-2.72,;-7.71,-2.4,;-3.55,1.44,;-2.22,2.21,;-2.22,3.75,;-.89,1.44,;.45,2.21,;.45,3.75,;1.78,1.44,)|

BDBM434460

CO[C@@H]1C[C@@H](C1)Nc1cc2nc(CS[C@H]3CC[C@](C)(O)CC3)[nH]c(=O)c2c(F)c1F |r,wU:4.6,14.14,17.18,2.1,wD:17.19,(-10.38,.99,;-9.05,1.76,;-7.71,.99,;-7.32,-.5,;-5.83,-.1,;-6.23,1.38,;-4.49,-.87,;-3.16,-.1,;-1.83,-.87,;-.49,-.1,;.84,-.87,;2.17,-.1,;3.51,-.87,;4.84,-.1,;6.17,-.87,;7.51,-.1,;8.84,-.87,;8.84,-2.41,;9.61,-3.75,;10.38,-2.41,;7.51,-3.18,;6.17,-2.41,;2.17,1.44,;.84,2.21,;.84,3.75,;-.49,1.44,;-1.83,2.21,;-1.83,3.75,;-3.16,1.44,;-4.49,2.21,)|

BDBM434461

Fc1cc(OCC2CCOCC2)cc2nc(CS[C@H]3CC[C@@H](CC3)OC(F)(F)F)[nH]c(=O)c12 |r,wU:18.18,wD:21.25,(-3.33,3.47,;-3.33,1.93,;-4.67,1.15,;-4.67,-.38,;-6,-1.15,;-7.34,-.38,;-8.67,-1.15,;-10,-.38,;-11.34,-1.15,;-11.34,-2.69,;-10,-3.47,;-8.67,-2.69,;-3.33,-1.15,;-2,-.38,;-.67,-1.15,;.67,-.38,;2,-1.15,;3.33,-.38,;4.67,-1.15,;6,-.38,;7.34,-1.15,;7.34,-2.69,;6,-3.47,;4.67,-2.69,;8.67,-3.46,;10,-2.69,;10,-1.15,;11.34,-3.46,;11.34,-1.92,;.67,1.15,;-.67,1.93,;-.67,3.47,;-2,1.15,)|

BDBM434462

Brc1cc(OCC2CCOC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434463

CO[C@H]1CC[C@@H](CC1)Nc1cc2nc(CS[C@H]3CC[C@H](O)CC3)[nH]c(=O)c2c(F)c1F |r,wU:5.8,16.16,wD:2.1,19.20,(-10.67,1.15,;-9.34,1.92,;-8,1.15,;-8,-.38,;-6.67,-1.15,;-5.33,-.38,;-5.33,1.15,;-6.67,1.92,;-4,-1.15,;-2.67,-.38,;-1.33,-1.15,;,-.38,;1.33,-1.15,;2.67,-.38,;4,-1.15,;5.33,-.38,;6.67,-1.15,;8,-.38,;9.34,-1.15,;9.34,-2.69,;10.67,-3.46,;8,-3.47,;6.67,-2.69,;2.67,1.15,;1.33,1.93,;1.33,3.47,;,1.15,;-1.33,1.93,;-1.33,3.47,;-2.67,1.15,;-4,1.93,)|

BDBM434464

CCC(=O)N[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CC3)cc(F)c2c(=O)[nH]1 |r,wU:5.4,wD:8.11,(11.44,-2.69,;10.11,-3.46,;8.77,-2.69,;8.77,-1.15,;7.44,-3.46,;6.1,-2.69,;4.77,-3.47,;3.44,-2.69,;3.44,-1.15,;4.77,-.38,;6.1,-1.15,;2.1,-.38,;.77,-1.15,;-.56,-.38,;-1.9,-1.15,;-3.23,-.38,;-4.56,-1.15,;-5.9,-.38,;-7.23,-1.15,;-8.57,-.38,;-9.9,-1.15,;-11.44,-1.15,;-10.67,-2.49,;-5.9,1.15,;-4.56,1.93,;-4.56,3.47,;-3.23,1.15,;-1.9,1.93,;-1.9,3.47,;-.56,1.15,)|

BDBM434465

CO[C@@H]1CC[C@@H](CC1)Nc1cc2nc(CS[C@H]3CC[C@H](O)CC3)[nH]c(=O)c2c(F)c1F |r,wU:16.16,5.8,2.1,wD:19.20,(-10.67,1.15,;-9.34,1.92,;-8,1.15,;-8,-.39,;-6.67,-1.15,;-5.33,-.39,;-5.33,1.15,;-6.67,1.92,;-4,-1.15,;-2.67,-.38,;-1.33,-1.15,;,-.38,;1.33,-1.15,;2.67,-.38,;4,-1.15,;5.33,-.38,;6.67,-1.15,;8,-.38,;9.34,-1.15,;9.34,-2.69,;10.67,-3.46,;8,-3.47,;6.67,-2.69,;2.67,1.15,;1.33,1.93,;1.33,3.47,;,1.15,;-1.33,1.93,;-1.33,3.47,;-2.67,1.15,;-4,1.93,)|

BDBM434466

CC(=O)NC1(C)CCC(CC1)SCc1nc2cc(OCC3CC3)cc(F)c2c(=O)[nH]1 |(10.77,-3.08,;9.44,-2.31,;9.44,-.77,;8.11,-3.08,;6.77,-2.31,;6.77,-3.85,;5.44,-3.08,;4.1,-2.31,;4.1,-.77,;5.44,,;6.77,-.77,;2.77,,;1.44,-.77,;.1,,;-1.23,-.77,;-2.56,,;-3.9,-.77,;-5.23,,;-6.57,-.77,;-7.9,,;-9.23,-.77,;-10.77,-.77,;-10,-2.1,;-5.23,1.54,;-3.9,2.31,;-3.9,3.85,;-2.56,1.54,;-1.23,2.31,;-1.23,3.85,;.1,1.54,)|

BDBM434467

O[C@H]1CC[C@@H](CC1)SCc1nc2cc(N[C@@H]3CCCOC3)c(F)c(F)c2c(=O)[nH]1 |r,wU:4.7,wD:15.15,1.0,(9.34,-3.46,;8,-2.69,;8,-1.15,;6.67,-.38,;5.33,-1.15,;5.33,-2.69,;6.67,-3.47,;4,-.38,;2.67,-1.15,;1.33,-.38,;,-1.15,;-1.33,-.38,;-2.67,-1.15,;-4,-.38,;-5.33,-1.15,;-6.67,-.39,;-8,-1.15,;-9.34,-.39,;-9.34,1.15,;-8,1.93,;-6.67,1.15,;-4,1.15,;-5.33,1.93,;-2.67,1.93,;-2.67,3.47,;-1.33,1.15,;,1.93,;,3.47,;1.33,1.15,)|

BDBM434468

O[C@H]1C[C@@H](C1)SCc1nc2cc(OCC3CCOCC3)cc(F)c2c(=O)[nH]1 |r,wU:3.5,wD:1.0,(9.61,-3.01,;8.28,-2.24,;7.88,-.76,;6.39,-1.15,;6.79,-2.64,;5.06,-.38,;3.72,-1.15,;2.39,-.38,;1.06,-1.15,;-.28,-.38,;-1.61,-1.15,;-2.94,-.38,;-4.28,-1.15,;-5.61,-.39,;-6.94,-1.16,;-8.28,-.39,;-9.61,-1.16,;-9.61,-2.7,;-8.28,-3.47,;-6.94,-2.7,;-2.94,1.16,;-1.61,1.93,;-1.61,3.47,;-.28,1.16,;1.06,1.93,;1.06,3.47,;2.39,1.16,)|

BDBM434469

O=c1[nH]c(CSC2CCOCC2)nc2cc(OCC3CCOC3)cc(C#N)c12

BDBM434470

CC(C)(C)CNc1cc2nc(CSC3CCOCC3)[nH]c(=O)c2c(F)c1F

BDBM434471

C[C@]1(O)C[C@H](COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)C1 |r,wU:4.4,1.0,wD:1.1,(-9.69,-1.85,;-8.2,-2.24,;-9.54,-3.01,;-6.71,-2.64,;-6.32,-1.16,;-4.98,-.39,;-3.65,-1.16,;-2.31,-.39,;-2.31,1.15,;-.98,1.92,;-.98,3.46,;.35,1.15,;.35,-.39,;-.98,-1.16,;1.69,-1.16,;3.02,-.39,;4.35,-1.16,;5.69,-.38,;7.02,-1.15,;7.02,-2.69,;8.36,-3.46,;9.69,-2.69,;9.69,-1.15,;8.36,-.38,;3.02,1.15,;1.69,1.92,;1.69,3.46,;-7.8,-.76,)|

BDBM434472

C[C@@]1(O)C[C@H](COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)C1 |r,wU:4.4,1.1,wD:1.0,(-9.69,-1.85,;-8.2,-2.24,;-9.54,-3.01,;-6.71,-2.64,;-6.32,-1.16,;-4.98,-.39,;-3.65,-1.16,;-2.31,-.39,;-2.31,1.15,;-.98,1.92,;-.98,3.46,;.35,1.15,;.35,-.39,;-.98,-1.16,;1.69,-1.16,;3.02,-.39,;4.35,-1.16,;5.69,-.38,;7.02,-1.15,;7.02,-2.69,;8.36,-3.46,;9.69,-2.69,;9.69,-1.15,;8.36,-.38,;3.02,1.15,;1.69,1.92,;1.69,3.46,;-7.8,-.76,)|

BDBM434473

CC(=O)N[C@H]1C[C@H](C1)SCc1nc2cc(OCC3CCOCC3)cc(F)c2c(=O)[nH]1 |r,wU:6.8,4.3,(10.95,-3.01,;9.61,-2.24,;9.61,-.7,;8.28,-3.01,;6.94,-2.24,;5.46,-2.64,;5.06,-1.15,;6.55,-.76,;3.72,-.38,;2.39,-1.15,;1.06,-.38,;-.28,-1.15,;-1.61,-.38,;-2.94,-1.15,;-4.28,-.38,;-5.61,-1.15,;-6.94,-.39,;-8.28,-1.16,;-9.61,-.39,;-10.95,-1.16,;-10.95,-2.69,;-9.61,-3.47,;-8.28,-2.69,;-4.28,1.15,;-2.94,1.93,;-2.94,3.47,;-1.61,1.15,;-.28,1.93,;-.28,3.47,;1.06,1.15,)|

BDBM434474

CN1CC[C@@H](COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)[C@@H](F)C1 |r|

BDBM434475

CO[C@@H]1C[C@@H](C1)Nc1cc2nc(CS[C@H]3CC[C@@H](CC3)NC(C)=O)[nH]c(=O)c2c(F)c1F |r,wU:4.6,2.1,17.21,wD:14.14,(-11.61,.7,;-10.28,1.47,;-8.95,.7,;-8.55,-.78,;-7.06,-.39,;-7.46,1.1,;-5.73,-1.16,;-4.39,-.39,;-3.06,-1.16,;-1.72,-.39,;-.39,-1.16,;.94,-.39,;2.28,-1.16,;3.61,-.38,;4.94,-1.15,;4.94,-2.69,;6.28,-3.46,;7.61,-2.69,;7.61,-1.15,;6.28,-.38,;8.95,-3.46,;10.28,-2.69,;11.61,-3.46,;10.28,-1.15,;.94,1.15,;-.39,1.92,;-.39,3.46,;-1.72,1.15,;-3.06,1.92,;-3.06,3.46,;-4.39,1.15,;-5.73,1.93,)|

BDBM434476

Fc1cc(OCC2CCN(CC2)C(=O)C2CC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434477

CC(=O)N[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CCOC3)cc(F)c2c(=O)[nH]1 |r,wU:4.3,wD:7.10,(11.22,-3.46,;9.89,-2.69,;9.89,-1.15,;8.55,-3.46,;7.22,-2.69,;5.89,-3.46,;4.55,-2.69,;4.55,-1.15,;5.89,-.38,;7.22,-1.15,;3.22,-.38,;1.89,-1.16,;.55,-.39,;-.78,-1.16,;-2.12,-.39,;-3.45,-1.16,;-4.78,-.39,;-6.12,-1.16,;-7.45,-.39,;-8.78,-1.16,;-10.19,-.53,;-11.22,-1.67,;-10.45,-3.01,;-8.94,-2.69,;-4.78,1.15,;-3.45,1.92,;-3.45,3.46,;-2.12,1.15,;-.78,1.92,;-.78,3.46,;.55,1.15,)|

BDBM434478

CC(=O)N[C@H]1CC[C@@H](CC1)SCc1nc2cc(NC3CCC3)c(F)c(F)c2c(=O)[nH]1 |r,wU:4.3,wD:7.10,(10.28,-3.46,;8.95,-2.69,;8.95,-1.15,;7.61,-3.46,;6.28,-2.69,;4.94,-3.46,;3.61,-2.69,;3.61,-1.15,;4.94,-.38,;6.28,-1.15,;2.28,-.38,;.94,-1.16,;-.39,-.39,;-1.72,-1.16,;-3.06,-.39,;-4.39,-1.16,;-5.73,-.39,;-7.06,-1.16,;-8.39,-.39,;-8.79,1.1,;-10.28,.7,;-9.88,-.78,;-5.73,1.15,;-7.06,1.92,;-4.39,1.92,;-4.39,3.46,;-3.06,1.15,;-1.72,1.92,;-1.72,3.46,;-.39,1.15,)|

BDBM434479

CC(=O)N[C@H]1C[C@@H](C1)SCc1nc2cc(OCC3CCOCC3)cc(F)c2c(=O)[nH]1 |r,wU:4.3,wD:6.8,(10.95,-3.01,;9.61,-2.24,;9.61,-.7,;8.28,-3.01,;6.94,-2.24,;5.46,-2.64,;5.06,-1.15,;6.55,-.76,;3.72,-.38,;2.39,-1.15,;1.06,-.38,;-.28,-1.15,;-1.61,-.38,;-2.94,-1.15,;-4.28,-.38,;-5.61,-1.15,;-6.94,-.38,;-8.28,-1.16,;-9.61,-.39,;-10.95,-1.16,;-10.95,-2.7,;-9.61,-3.47,;-8.28,-2.7,;-4.28,1.15,;-2.94,1.93,;-2.94,3.47,;-1.61,1.15,;-.28,1.93,;-.28,3.47,;1.06,1.15,)|

BDBM434480

CC(Oc1cc(F)c2c(c1)nc(CSC1CCOCC1)[nH]c2=O)C1CCCC1

BDBM434481

Fc1cc(OCC2CC2)cc2nc(CS[C@H]3CC[C@@H](CC3)NC(=O)C3CC3)[nH]c(=O)c12 |r,wU:18.22,wD:15.15,(-4.67,4.13,;-4.67,2.59,;-6,1.82,;-6,.28,;-7.34,-.49,;-8.67,.28,;-10,-.49,;-11.54,-.49,;-10.77,-1.82,;-4.67,-.49,;-3.33,.28,;-2,-.49,;-.67,.28,;.67,-.49,;2,.28,;3.33,-.49,;3.33,-2.03,;4.67,-2.8,;6,-2.03,;6,-.49,;4.67,.28,;7.34,-2.8,;8.67,-2.03,;8.67,-.49,;10,-2.8,;10.77,-4.13,;11.54,-2.8,;-.67,1.82,;-2,2.59,;-2,4.13,;-3.33,1.82,)|

BDBM434482

CC(=O)N1CCC(COc2cc(F)c3c(c2)nc(CS[C@H]2CC[C@H](O)CC2)[nH]c3=O)CC1 |r,wU:20.20,wD:23.24,(-11.34,-1.93,;-10,-2.69,;-10,-4.23,;-8.67,-1.93,;-7.34,-2.69,;-6,-1.93,;-6,-.38,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-.67,4.23,;.67,1.93,;.67,.38,;-.67,-.38,;2,-.38,;3.33,.38,;4.67,-.38,;6,.39,;7.34,-.38,;8.67,.39,;10,-.38,;10,-1.92,;11.34,-2.69,;8.67,-2.69,;7.34,-1.92,;3.33,1.93,;2,2.69,;2,4.23,;-7.34,.38,;-8.67,-.38,)|

BDBM434483

CC(C)C(=O)N1CCC(COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)CC1

BDBM434484

CCC(=O)N1CCC(COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)CC1

BDBM434485

Fc1cc(OCC2CCNCC2)cc2nc(CSC3CCOCC3)[nH]c(=O)c12

BDBM434486

CC(Nc1cc2nc(CSC3CCOCC3)[nH]c(=O)c2c(F)c1F)C1CCOCC1

BDBM434487

CC(=O)N1CCCC(COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)C1

BDBM434488

Fc1c(F)c2c(cc1N[C@H]1C[C@H](C1)OC(F)(F)F)nc(CSC1CCOCC1)[nH]c2=O |r,wU:9.9,11.14,(-3.06,1.93,;-1.72,1.15,;-.39,1.93,;-.39,3.47,;.94,1.15,;.94,-.38,;-.39,-1.15,;-1.72,-.38,;-3.06,-1.15,;-4.39,-.38,;-5.88,-.78,;-6.28,.7,;-4.79,1.1,;-7.61,1.47,;-8.95,.7,;-8.95,-.84,;-10.28,1.47,;-10.28,-.07,;2.28,-1.15,;3.61,-.38,;4.94,-1.15,;6.28,-.38,;7.61,-1.15,;7.61,-2.69,;8.95,-3.47,;10.28,-2.69,;10.28,-1.15,;8.95,-.38,;3.61,1.15,;2.28,1.93,;2.28,3.47,)|

BDBM434489

Nc1cc2nc(CSC3CCOCC3)[nH]c(=O)c2c(F)c1F

BDBM434490

CN(C)[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CC3)cc(F)c2c(=O)[nH]1 |r,wU:6.9,wD:3.2,(10.11,-1.93,;8.77,-2.69,;8.77,-4.23,;7.44,-1.93,;7.44,-.38,;6.1,.38,;4.77,-.38,;4.77,-1.93,;6.1,-2.69,;3.44,.38,;2.1,-.38,;.77,.38,;-.56,-.38,;-1.9,.38,;-3.23,-.38,;-4.56,.38,;-5.9,-.38,;-7.23,.39,;-8.57,-.38,;-10.11,-.38,;-9.34,-1.72,;-4.56,1.93,;-3.23,2.69,;-3.23,4.23,;-1.9,1.93,;-.56,2.69,;-.56,4.23,;.77,1.93,)|

BDBM434491

O[C@H]1C[C@H](C1)SCc1nc2cc(OCC3CCOCC3)cc(F)c2c(=O)[nH]1 |r,wU:3.5,1.0,(9.61,-3.01,;8.28,-2.24,;6.79,-2.64,;6.39,-1.15,;7.88,-.76,;5.06,-.38,;3.72,-1.15,;2.39,-.38,;1.06,-1.15,;-.28,-.38,;-1.61,-1.15,;-2.94,-.38,;-4.28,-1.15,;-5.61,-.38,;-6.94,-1.15,;-8.28,-.38,;-9.61,-1.15,;-9.61,-2.69,;-8.28,-3.47,;-6.94,-2.69,;-2.94,1.15,;-1.61,1.93,;-1.61,3.47,;-.28,1.15,;1.06,1.93,;1.06,3.47,;2.39,1.15,)|

BDBM434492

Fc1c(F)c2c(cc1OCC1CCOCC1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434493

COC(C)(C)CNc1cc2nc(CSC3CCOCC3)[nH]c(=O)c2c(F)c1F

BDBM434494

CN1CC[C@H](CNc2cc3nc(CSC4CCOCC4)[nH]c(=O)c3c(F)c2F)[C@H](F)C1 |r|

BDBM434495

CC(=O)N1CCC(COc2cc(F)c3c(c2)nc(CS[C@H]2CC[C@](C)(O)CC2)[nH]c3=O)CC1 |r,wU:20.20,23.24,wD:23.25,(-11.41,-1.93,;-10.08,-2.69,;-10.08,-4.23,;-8.75,-1.93,;-7.41,-2.69,;-6.08,-1.93,;-6.08,-.38,;-4.74,.38,;-3.41,-.38,;-2.08,.38,;-2.08,1.93,;-.74,2.69,;-.74,4.23,;.59,1.93,;.59,.38,;-.74,-.38,;1.92,-.38,;3.26,.38,;4.59,-.38,;5.92,.38,;7.26,-.38,;8.59,.38,;9.93,-.38,;9.93,-1.93,;10.7,-3.26,;11.41,-1.53,;8.59,-2.69,;7.26,-1.93,;3.26,1.93,;1.92,2.69,;1.92,4.23,;-7.41,.38,;-8.75,-.38,)|

BDBM434496

COC(=O)N1CCC(COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)CC1

BDBM434497

C[C@@]1(O)CC[C@@H](CC1)SCc1nc2cc(OCC3CCOCC3)cc(F)c2c(=O)[nH]1 |r,wU:5.8,1.1,wD:1.0,(9.34,-3.75,;8.57,-2.41,;10.11,-2.41,;8.57,-.87,;7.23,-.1,;5.9,-.87,;5.9,-2.41,;7.23,-3.18,;4.56,-.1,;3.23,-.87,;1.9,-.1,;.56,-.87,;-.77,-.1,;-2.1,-.87,;-3.44,-.1,;-4.77,-.87,;-6.1,-.1,;-7.44,-.87,;-8.77,-.1,;-10.11,-.87,;-10.11,-2.41,;-8.77,-3.18,;-7.44,-2.41,;-3.44,1.44,;-2.1,2.21,;-2.1,3.75,;-.77,1.44,;.56,2.21,;.56,3.75,;1.9,1.44,)|

BDBM434498

CN1CC[C@H](SCc2nc3cc(NC4CCCC4)cc(F)c3c(=O)[nH]2)[C@@H](F)C1 |r|

BDBM434499

CN1CC[C@@H](SCc2nc3cc(NC4CCCC4)cc(F)c3c(=O)[nH]2)[C@@H](F)C1 |r|

BDBM434500

CN1CCOC(COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)C1

BDBM434501

CN1CCC(COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)CC1

BDBM434502

CC(C)(C)COc1cc(F)c2c(c1)nc(CSC1CCOCC1)[nH]c2=O

BDBM434503

CC(=O)N1CCC(COc2cc(F)c3c(c2)nc(CS[C@H]2CC[C@@](C)(O)CC2)[nH]c3=O)CC1 |r,wU:20.20,23.25,wD:23.24,(-11.44,-1.93,;-10.11,-2.69,;-10.11,-4.23,;-8.77,-1.93,;-7.44,-2.69,;-6.1,-1.93,;-6.1,-.38,;-4.77,.38,;-3.44,-.38,;-2.1,.38,;-2.1,1.93,;-.77,2.69,;-.77,4.23,;.56,1.93,;.56,.38,;-.77,-.38,;1.9,-.38,;3.23,.38,;4.56,-.38,;5.9,.38,;7.23,-.38,;8.57,.38,;9.9,-.38,;9.9,-1.93,;11.44,-1.93,;10.67,-3.26,;8.57,-2.69,;7.23,-1.93,;3.23,1.93,;1.9,2.69,;1.9,4.23,;-7.44,.38,;-8.77,-.38,)|

BDBM434504

Fc1cc(OCC2CCOCC2)cc2nc(CS[C@@H]3CC[C@@H](CC3)OC(F)(F)F)[nH]c(=O)c12 |r,wU:18.18,21.25,(-3.33,3.47,;-3.33,1.93,;-4.67,1.15,;-4.67,-.38,;-6,-1.15,;-7.34,-.38,;-8.67,-1.15,;-10,-.38,;-11.34,-1.15,;-11.34,-2.69,;-10,-3.47,;-8.67,-2.69,;-3.33,-1.15,;-2,-.38,;-.67,-1.15,;.67,-.38,;2,-1.15,;3.33,-.38,;4.67,-1.15,;4.67,-2.69,;6,-3.47,;7.34,-2.69,;7.34,-1.15,;6,-.38,;8.67,-3.46,;10,-2.69,;10,-1.15,;11.34,-3.46,;11.34,-1.92,;.67,1.15,;-.67,1.93,;-.67,3.47,;-2,1.15,)|

BDBM434505

CC(=O)N1CCC(CNc2cc3nc(CS[C@H]4CC[C@H](O)CC4)[nH]c(=O)c3c(F)c2F)CC1 |r,wU:16.15,wD:19.19,(-11.34,-1.92,;-10,-2.69,;-10,-4.23,;-8.67,-1.93,;-7.34,-2.7,;-6,-1.93,;-6,-.39,;-4.67,.38,;-3.33,-.39,;-2,.38,;-.67,-.39,;.67,.38,;2,-.39,;3.33,.38,;4.67,-.39,;6,.38,;7.34,-.39,;8.67,.38,;10,-.39,;10,-1.93,;11.34,-2.69,;8.67,-2.7,;7.34,-1.93,;3.33,1.92,;2,2.69,;2,4.23,;.67,1.92,;-.67,2.69,;-.67,4.23,;-2,1.92,;-3.33,2.69,;-7.34,.38,;-8.67,-.39,)|

BDBM434506

CNc1cc2nc(CSC3CCOCC3)[nH]c(=O)c2c(F)c1F

BDBM434507

CC(C)(COc1cc(F)c2c(c1)nc(CSC1CCOCC1)[nH]c2=O)C(F)(F)F

BDBM434508

CC(=O)N1CCC(COc2cc(F)c3c(c2)nc(CS[C@@H]2CC[C@H](O)CC2)[nH]c3=O)CC1 |r,wU:20.20,23.24,(-11.34,-1.93,;-10,-2.69,;-10,-4.23,;-8.67,-1.93,;-8.67,-.38,;-7.34,.38,;-6,-.38,;-4.67,.38,;-3.33,-.38,;-2,.38,;-2,1.93,;-.67,2.69,;-.67,4.23,;.67,1.93,;.67,.38,;-.67,-.38,;2,-.38,;3.33,.38,;4.67,-.38,;6,.38,;7.34,-.38,;7.34,-1.93,;8.67,-2.69,;10,-1.93,;11.34,-2.69,;10,-.38,;8.67,.38,;3.33,1.93,;2,2.69,;2,4.23,;-6,-1.93,;-7.34,-2.69,)|

BDBM434509

CC(=O)N1CCC(COc2cc(Cl)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)CC1

BDBM434510

COCC(=O)N1CCC(COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)CC1

BDBM434511

CN1CC[C@H](CNc2cc3nc(CSC4CCOCC4)[nH]c(=O)c3c(F)c2F)[C@@H](F)C1 |r|

BDBM434512

CC(=O)N[C@H]1CC[C@@H](CC1)SCc1nc2cc(OCC3CCOCC3)cc(F)c2c(=O)[nH]1 |r,wU:4.3,wD:7.10,(11.34,-3.46,;10,-2.69,;10,-1.15,;8.67,-3.46,;7.34,-2.69,;6,-3.47,;4.67,-2.69,;4.67,-1.15,;6,-.38,;7.34,-1.15,;3.33,-.38,;2,-1.15,;.67,-.38,;-.67,-1.15,;-2,-.38,;-3.33,-1.15,;-4.67,-.38,;-6,-1.15,;-7.34,-.38,;-8.67,-1.15,;-10,-.38,;-11.34,-1.15,;-11.34,-2.69,;-10,-3.47,;-8.67,-2.69,;-4.67,1.15,;-3.33,1.93,;-3.33,3.47,;-2,1.15,;-.67,1.93,;-.67,3.47,;.67,1.15,)|

BDBM434513

CN1CCC(COc2cc(F)c3c(c2)nc(CSC2CCOCC2)[nH]c3=O)C(F)(F)C1