SMILES for Bone morphogenetic protein receptor type-1A [198-525]

137 SMILES Strings for Bone morphogenetic protein receptor type-1A [198-525]

Compound Name

SMILES String

CC#CCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(11.1,-4.32,;9.56,-4.32,;8.02,-4.32,;6.48,-4.32,;5.85,-2.92,;6.62,-1.58,;5.59,-.44,;4.35,.47,;4.19,-1.07,;4.35,-2.6,;2.85,-.3,;1.52,-1.07,;.18,-.3,;.18,1.24,;1.52,2.01,;2.85,1.24,;-1.15,2.01,;-1.15,3.55,;-2.48,4.32,;-3.82,3.55,;-5.15,4.32,;-3.82,2.01,;-2.48,1.24,;-5.15,1.24,;-6.48,2.01,;-5.15,-.3,;-6.64,-.69,;-7.04,-2.18,;-8.52,-2.58,;-9.61,-1.49,;-11.1,-1.89,;-9.21,-0,;-7.73,.39,)|

BDBM451831

CC#CCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.86,-4.29,;9.32,-4.29,;7.78,-4.29,;6.24,-4.29,;5.47,-2.95,;6.24,-1.62,;5.21,-.26,;3.81,.44,;3.81,-1.1,;3.97,-2.63,;2.47,-.33,;1.14,-1.1,;-.19,-.33,;-.19,1.21,;1.14,1.98,;2.47,1.21,;-1.53,1.98,;-1.53,3.52,;-2.86,4.29,;-4.2,3.52,;-5.53,4.29,;-4.2,1.98,;-2.86,1.21,;-5.53,1.21,;-6.86,1.98,;-5.53,-.33,;-6.86,-1.1,;-6.86,-2.64,;-8.2,-3.41,;-9.53,-2.64,;-10.86,-3.41,;-9.53,-1.1,;-8.2,-.33,)|

BDBM451856

CC(C)(O)C12CC(C1)(C2)NC(=O)c1cc(cnc1N)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r|

BDBM522109

CC(C)CCn1cc(ccc1=O)-c1cncc(c1)-c1ccc2N(C)C(=O)Cc2c1

BDBM522116

CC(C)CN1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(c1)C(C)C

BDBM522142

CC(C)CN1c2ccc(cc2CS1(=O)=O)-c1cncc(c1)-c1ccc(=O)n(c1)C(C)C

BDBM522106

CC(C)Cn1cc(ccc1=O)-c1cncc(c1)-c1ccc2N(C)C(=O)Cc2c1

BDBM522113

CC(C)N1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(c1)C(C)C

BDBM522115

CC(C)N1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc2N(C)C(=O)C(F)(F)c2c1

BDBM451780

CC(C)N1CCC(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:27.30,(6.61,-4.95,;7.51,-3.7,;9.04,-3.86,;6.89,-2.29,;7.66,-.96,;6.63,.18,;5.22,-.44,;5.38,-1.97,;3.88,.33,;2.55,-.44,;1.22,.33,;1.22,1.87,;2.55,2.64,;3.88,1.87,;-.12,2.64,;-.12,4.18,;-1.45,4.95,;-2.78,4.18,;-4.12,4.95,;-2.78,2.64,;-1.45,1.87,;-4.12,1.87,;-5.45,2.64,;-4.12,.33,;-5.45,-.44,;-5.32,-1.98,;-6.58,-2.86,;-7.97,-2.21,;-9.04,-3.06,;-8.11,-.67,;-6.85,.21,)|

BDBM451776

CC(C)N1CCN(CC1)c1ccc(c(F)c1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.28,wD:29.32,(10.76,-2.31,;9.43,-3.08,;9.43,-4.62,;8.09,-2.31,;6.76,-3.08,;5.43,-2.31,;5.43,-.77,;6.76,,;8.09,-.77,;4.09,,;2.76,-.77,;1.43,,;1.43,1.54,;2.76,2.31,;2.76,3.83,;4.09,1.54,;.09,2.31,;.09,3.85,;-1.24,4.62,;-2.57,3.85,;-3.91,4.62,;-2.57,2.31,;-1.24,1.54,;-3.91,1.54,;-3.91,,;-5.24,2.31,;-6.58,1.54,;-6.71,.01,;-8.11,-.64,;-9.37,.24,;-10.76,-.41,;-9.23,1.77,;-7.84,2.42,)|

BDBM451784

CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)NC12CC(CO)(C1)C2 |r|

BDBM451842

CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@@H]1CC[C@H](O)CC1 |r,wU:5.5,wD:25.28,28.32,7.10,(9.32,-3.62,;7.78,-3.62,;7.01,-4.95,;7.01,-2.29,;7.78,-.95,;6.75,.4,;5.35,1.1,;5.35,-.44,;5.51,-1.97,;4.01,.33,;2.68,-.44,;1.35,.33,;1.35,1.87,;2.68,2.64,;4.01,1.87,;.01,2.64,;.01,4.18,;-1.32,4.95,;-2.66,4.18,;-3.99,4.95,;-2.66,2.64,;-1.32,1.87,;-3.99,1.87,;-5.32,2.64,;-3.99,.33,;-5.32,-.44,;-5.32,-1.98,;-6.66,-2.75,;-7.99,-1.98,;-9.32,-2.75,;-7.99,-.44,;-6.66,.33,)|

BDBM451851

CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:25.28,5.5,wD:7.10,28.32,(9.11,-4.22,;7.62,-3.82,;6.54,-4.91,;7.23,-2.33,;8,-1,;6.97,.15,;5.72,1.05,;5.56,-.48,;5.72,-2.01,;4.22,.29,;2.89,-.48,;1.56,.29,;1.56,1.83,;2.89,2.6,;4.22,1.83,;.22,2.6,;.22,4.14,;-1.11,4.91,;-2.44,4.14,;-3.78,4.91,;-2.44,2.6,;-1.11,1.83,;-3.78,1.83,;-5.11,2.6,;-3.78,.29,;-5.11,-.48,;-5.11,-2.02,;-6.44,-2.79,;-7.78,-2.02,;-9.11,-2.79,;-7.78,-.48,;-6.44,.29,)|

BDBM451777

CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|

BDBM451800

CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:25.28,5.5,28.32,wD:28.33,7.10,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-8.31,-3.47,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|

BDBM451804

CC(C)N1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)NC12CC(CO)(C1)C2 |r|

BDBM451770

CC(C)N1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:7.10,25.28,wD:5.5,28.32,(6.7,-4.95,;7.61,-3.7,;9.14,-3.86,;6.98,-2.29,;7.75,-.96,;6.72,.18,;5.48,1.09,;5.31,-.44,;5.48,-1.97,;3.98,.33,;2.65,-.44,;1.31,.33,;1.31,1.87,;2.65,2.64,;3.98,1.87,;-.02,2.64,;-.02,4.18,;-1.35,4.95,;-2.69,4.18,;-4.02,4.95,;-2.69,2.64,;-1.35,1.87,;-4.02,1.87,;-5.36,2.64,;-4.02,.33,;-5.36,-.44,;-5.22,-1.98,;-6.48,-2.86,;-7.88,-2.21,;-9.14,-3.09,;-8.01,-.68,;-6.75,.21,)|

BDBM451792

CC(C)N1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:7.10,25.28,28.32,wD:28.33,5.5,(6.32,-4.95,;7.23,-3.7,;8.76,-3.86,;6.6,-2.29,;7.37,-.96,;6.34,.18,;5.09,1.09,;4.93,-.44,;5.09,-1.97,;3.6,.33,;2.27,-.44,;.93,.33,;.93,1.87,;2.27,2.64,;3.6,1.87,;-.4,2.64,;-.4,4.18,;-1.74,4.95,;-3.07,4.18,;-4.4,4.95,;-3.07,2.64,;-1.74,1.87,;-4.4,1.87,;-5.74,2.64,;-4.4,.33,;-5.49,-.76,;-5.09,-2.25,;-6.18,-3.34,;-7.67,-2.94,;-7.67,-4.48,;-8.76,-4.03,;-8.07,-1.45,;-6.98,-.36,)|

BDBM522065

CC(C)n1cc(cc(C)c1=O)-c1cncc(c1)-c1ccc2N(C)C(=O)Cc2c1

BDBM522134

CC(C)n1cc(ccc1=O)-c1cc(cnc1N)-c1ccc2N(C)C(=O)Cc2c1

BDBM522144

CC(C)n1cc(ccc1=O)-c1cncc(-c2ccc3N(C)C(=O)Cc3c2)c1F

BDBM522127

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1cc2CC(=O)N(C)c2c(C)c1

BDBM522128

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1cc2CC(=O)N(C)c2c(F)c1

BDBM522123

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1cc2CC(=O)N(C)c2cc1F

BDBM522125

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1ccc2C(C)C(=O)Nc2c1

BDBM522131

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1ccc2N(C)C(=O)CCCc2c1

BDBM518855

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1ccc2N(C)C(=O)Cc2c1

BDBM522140

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1ccc2N(C)S(=O)(=O)Cc2c1

BDBM522130

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1ccc2N(CC3CCC3)C(=O)Cc2c1

BDBM522143

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1ccc2N(CC3CCC3)S(=O)(=O)Cc2c1

BDBM522139

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1ccc2N(CCCO)C(=O)Cc2c1

BDBM522137

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1ccc2N(CCO)C(=O)Cc2c1

BDBM522126

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1ccc2NC(=O)Cc2c1

BDBM522124

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1ccc2c(NC(=O)C2(C)C)c1

BDBM522129

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1cnc2N(C)C(=O)CCc2c1

BDBM522133

CC(C)n1cc(ccc1=O)-c1cncc(c1)-c1cnc2NC(=O)Cc2c1

BDBM522138

CC(C)n1cc(ccc1=O)-c1cncc(n1)-c1ccc2N(C)C(=O)Cc2c1

BDBM522135

CC(C)n1cc(ccc1=O)-c1nc(cnc1N)-c1ccc2N(C)C(=O)Cc2c1

BDBM522136

CC(C)n1nc(ccc1=O)-c1cncc(c1)-c1ccc2N(C)C(=O)Cc2c1

BDBM451849

CC(F)(F)CN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:27.30,7.7,wD:9.12,30.34,(9.44,-2.14,;8.59,-3.62,;9.36,-4.95,;10.06,-2.77,;7.05,-3.62,;6.28,-2.29,;7.05,-.95,;6.01,.19,;4.77,1.1,;4.61,-.44,;4.77,-1.97,;3.27,.33,;1.94,-.44,;.61,.33,;.61,1.87,;1.94,2.64,;3.27,1.87,;-.73,2.64,;-.73,4.18,;-2.06,4.95,;-3.39,4.18,;-4.73,4.95,;-3.39,2.64,;-2.06,1.87,;-4.73,1.87,;-6.06,2.64,;-4.73,.33,;-6.06,-.44,;-6.06,-1.98,;-7.39,-2.75,;-8.73,-1.98,;-10.06,-2.75,;-8.73,-.44,;-7.39,.33,)|

BDBM451821

CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|

BDBM522096

CCC(C)n1cc(ccc1=O)-c1cncc(c1)-c1ccc2N(C)C(=O)Cc2c1

BDBM522132

CCC(CC)CN1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(c1)C(C)C

BDBM522105

CCC(CC)Cn1cc(ccc1=O)-c1cncc(c1)-c1ccc2N(C)C(=O)Cc2c1

BDBM522114

CCC1C(=O)N(C)c2ccc(cc12)-c1cncc(c1)-c1ccc2N(C(C)C)C(=O)Cc2c1

BDBM522117

CCCN1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(c1)C(C)C

BDBM522112

CCN1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(c1)C(C)C

BDBM522141

CCN1c2ccc(cc2CS1(=O)=O)-c1cncc(c1)-c1ccc(=O)n(c1)C(C)C

BDBM522097

CCc1cc(cn(C(C)C)c1=O)-c1cncc(c1)-c1ccc2N(C)C(=O)Cc2c1

BDBM522101

CCn1cc(ccc1=O)-c1cncc(c1)-c1ccc2N(C)C(=O)Cc2c1

BDBM522111

CN1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(C)c1

BDBM522104

CN1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(CC(F)(F)F)c1

BDBM522103

CN1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(CC2CCC2)c1

BDBM522108

CN1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(CCC(F)(F)F)c1

BDBM522102

CN1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(c1)C1CC1

BDBM522098

CN1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(c1)C1CCC1

BDBM522100

CN1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(c1)C1CCCC1

BDBM522110

CN1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(c1)C1CCCCO1

BDBM451814

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)NC1CCCCC1

BDBM451852

CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@@H]1CC[C@H](O)CC1 |r,wU:28.31,25.27,(7.34,-5.77,;7.34,-4.23,;6,-3.46,;6,-1.92,;7.34,-1.15,;8.67,-1.92,;8.67,-3.46,;7.34,.39,;8.67,1.15,;6,1.16,;4.67,.39,;3.33,1.16,;3.33,2.7,;4.67,3.46,;6,2.7,;2,3.46,;2,5,;.67,5.77,;-.67,5,;-2,5.77,;-.67,3.46,;.67,2.7,;-2,2.7,;-2,1.16,;-3.33,3.46,;-4.67,2.69,;-6,3.46,;-7.34,2.69,;-7.34,1.15,;-8.67,.38,;-6,.38,;-4.67,1.15,)|

BDBM451836

CN1CCN(CCNC(=O)c2ccc(cc2)-c2cnc(N)c(c2)C(=O)NC2CCCCC2)CC1

BDBM522122

COCCCN1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(c1)C(C)C

BDBM522119

COCCN1C(=O)Cc2cc(ccc12)-c1cncc(c1)-c1ccc(=O)n(c1)C(C)C

BDBM451775

COCCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)NC12CCC(O)(CC1)CC2 |r|

BDBM451788

COCCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(10.71,-4.99,;9.18,-4.99,;8.41,-3.66,;6.86,-3.66,;6.24,-2.25,;7.01,-.92,;5.98,.23,;4.73,1.13,;4.57,-.4,;4.73,-1.93,;3.24,.37,;1.9,-.4,;.57,.37,;.57,1.91,;1.9,2.68,;3.24,1.91,;-.76,2.68,;-.76,4.22,;-2.1,4.99,;-3.43,4.22,;-4.76,4.99,;-3.43,2.68,;-2.1,1.91,;-4.76,1.91,;-6.1,2.68,;-4.76,.37,;-6.25,-.03,;-6.65,-1.51,;-8.14,-1.91,;-9.23,-.82,;-10.71,-1.22,;-8.83,.66,;-7.34,1.06,)|

BDBM451847

COCCN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,8.11,wD:29.33,6.6,(10.48,-4.95,;8.94,-4.95,;8.17,-3.62,;6.63,-3.62,;5.86,-2.29,;6.63,-.95,;5.6,.19,;4.35,1.1,;4.19,-.44,;4.35,-1.97,;2.86,.33,;1.52,-.44,;.19,.33,;.19,1.87,;1.52,2.64,;2.86,1.87,;-1.14,2.64,;-1.14,4.18,;-2.48,4.95,;-3.81,4.18,;-5.14,4.95,;-3.81,2.64,;-2.48,1.87,;-5.14,1.87,;-6.48,2.64,;-5.14,.33,;-6.48,-.44,;-6.48,-1.98,;-7.81,-2.75,;-9.14,-1.98,;-10.48,-2.75,;-9.14,-.44,;-7.81,.33,)|

BDBM522107

COCn1cc(ccc1=O)-c1cncc(c1)-c1ccc2N(C)C(=O)Cc2c1

BDBM518859

COc1cc(cn(C(C)C)c1=O)-c1cncc(c1)-c1ccc2N(C)C(=O)Cc2c1

BDBM451769

CS(=O)(=O)N1CCC(CC1)N1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:14.18,32.36,wD:12.13,35.40,(7.28,-6.06,;8.77,-5.66,;8.77,-7.2,;10.26,-5.27,;8.14,-4.26,;6.61,-4.1,;5.99,-2.69,;6.89,-1.44,;8.42,-1.6,;9.05,-3.01,;6.27,-.04,;7.04,1.3,;6,2.44,;4.76,3.35,;4.6,1.81,;4.76,.28,;3.26,2.58,;1.93,1.81,;.6,2.58,;.6,4.12,;1.93,4.89,;3.26,4.12,;-.74,4.89,;-.74,6.43,;-2.07,7.2,;-3.4,6.43,;-4.74,7.2,;-3.4,4.89,;-2.07,4.12,;-4.74,4.12,;-6.07,4.89,;-4.74,2.58,;-6.07,1.81,;-6.21,.28,;-7.6,-.37,;-8.86,.51,;-10.26,-.14,;-8.73,2.05,;-7.33,2.7,)|

BDBM451826

C[C@@H](N1CC2(COC2)C1)c1ccc(c(Cl)c1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:26.29,wD:29.33,1.0,(5.16,-3.32,;5.16,-1.78,;6.49,-1.01,;7.98,-1.41,;8.38,.08,;9.87,-.32,;10.26,1.17,;8.78,1.57,;6.89,.48,;3.82,-1.01,;2.57,-1.73,;1.32,-1.01,;1.32,.43,;2.57,1.16,;2.57,2.7,;3.82,.43,;.07,1.16,;.07,2.6,;-1.18,3.32,;-2.43,2.6,;-3.68,3.32,;-2.43,1.16,;-1.18,.43,;-3.68,.43,;-3.68,-1.01,;-4.93,1.16,;-6.26,.39,;-6.26,-1.16,;-7.6,-1.93,;-8.93,-1.16,;-10.26,-1.93,;-8.93,.39,;-7.6,1.16,)|

BDBM451839

C[C@@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)NC12CC3CC(CC(O)(C3)C1)C2 |r,TLB:28:29:34:33.27.26,35:25:33:28.29.30,THB:28:27:34:35.29.30,35:29:33:34.25.26|

BDBM451859

C[C@@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@@]1(C)CC[C@H](O)CC1 |r,wU:25.28,wD:29.33,25.29,1.0,(4.6,-3.39,;4.6,-1.85,;5.94,-1.08,;7.42,-1.48,;7.82,.01,;9.31,-.39,;9.71,1.1,;8.22,1.5,;6.34,.41,;3.27,-1.08,;1.94,-1.85,;.6,-1.08,;.6,.46,;1.94,1.23,;3.27,.46,;-.73,1.23,;-.73,2.77,;-2.06,3.54,;-3.4,2.77,;-4.73,3.54,;-3.4,1.23,;-2.06,.46,;-4.73,.46,;-4.73,-1.08,;-6.07,1.23,;-7.4,.46,;-7.4,2,;-6.63,-.87,;-7.4,-2.21,;-8.94,-2.21,;-9.71,-3.54,;-9.71,-.87,;-8.94,.46,)|

BDBM451771

C[C@@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:25.28,wD:28.32,1.0,(5.34,-3.47,;5.34,-1.93,;6.67,-1.16,;8.16,-1.55,;8.56,-.07,;10.05,-.46,;10.45,1.02,;8.96,1.42,;7.07,.33,;4.01,-1.16,;2.67,-1.93,;1.34,-1.16,;1.34,.39,;2.67,1.16,;4.01,.39,;.01,1.16,;.01,2.7,;-1.33,3.47,;-2.66,2.7,;-4,3.47,;-2.66,1.16,;-1.33,.39,;-4,.39,;-4,-1.16,;-5.33,1.16,;-6.66,.39,;-6.53,-1.15,;-7.79,-2.03,;-9.19,-1.38,;-10.45,-2.27,;-9.32,.15,;-8.06,1.04,)|

BDBM451830

C[C@@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:25.28,28.32,wD:28.33,1.0,(5.5,-3.48,;5.5,-1.96,;6.92,-1.14,;8.51,-1.56,;8.93,.02,;10.52,-.4,;10.95,1.19,;9.36,1.61,;7.35,.45,;4.08,-1.14,;2.74,-1.91,;1.41,-1.14,;1.41,.4,;2.74,1.17,;4.08,.4,;.08,1.17,;.08,2.71,;-1.26,3.48,;-2.59,2.71,;-3.92,3.48,;-2.59,1.17,;-1.26,.4,;-3.92,.4,;-3.92,-1.14,;-5.26,1.17,;-6.68,.35,;-6.68,-1.29,;-8.1,-2.11,;-9.52,-1.29,;-9.52,-2.92,;-10.95,-2.11,;-9.52,.35,;-8.1,1.17,)|

BDBM451860

C[C@@H]1CCCN1Cc1ccc(c(C)c1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:24.26,27.30,1.0,wD:27.31,(4.75,-2.79,;6.24,-3.19,;6.71,-4.65,;8.25,-4.65,;8.73,-3.19,;7.48,-2.28,;7.48,-.74,;6.15,.03,;6.15,1.57,;4.81,2.34,;3.48,1.57,;3.48,.03,;2.15,-.74,;4.81,-.74,;2.15,2.34,;2.15,3.88,;.81,4.65,;-.52,3.88,;-1.85,4.65,;-.52,2.34,;.81,1.57,;-1.85,1.57,;-1.85,.03,;-3.19,2.34,;-4.52,1.57,;-4.52,.03,;-5.85,-.74,;-7.19,.03,;-7.96,-1.3,;-8.73,.03,;-7.19,1.57,;-5.85,2.34,)|

BDBM451854

C[C@@H]1CCCN1Cc1ccc(c(Cl)c1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:24.26,27.30,1.0,wD:27.31,(4.75,-2.79,;6.24,-3.19,;6.71,-4.65,;8.25,-4.65,;8.73,-3.19,;7.48,-2.28,;7.48,-.74,;6.15,.03,;6.15,1.57,;4.81,2.34,;3.48,1.57,;3.48,.03,;2.15,-.74,;4.81,-.74,;2.15,2.34,;2.15,3.88,;.81,4.65,;-.52,3.88,;-1.85,4.65,;-.52,2.34,;.81,1.57,;-1.85,1.57,;-1.85,.03,;-3.19,2.34,;-4.52,1.57,;-4.52,.03,;-5.85,-.74,;-7.19,.03,;-7.96,-1.3,;-8.73,.03,;-7.19,1.57,;-5.85,2.34,)|

BDBM451827

C[C@@H]1CCCN1Cc1ccc(c(F)c1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:24.26,1.0,27.30,wD:27.31,(4.77,-2.71,;6.24,-3.19,;6.71,-4.65,;8.25,-4.65,;8.73,-3.19,;7.48,-2.28,;7.48,-.74,;6.15,.03,;6.15,1.57,;4.81,2.34,;3.48,1.57,;3.48,.03,;2.15,-.74,;4.81,-.74,;2.15,2.34,;2.15,3.88,;.81,4.65,;-.52,3.88,;-1.85,4.65,;-.52,2.34,;.81,1.57,;-1.85,1.57,;-1.85,.03,;-3.19,2.34,;-4.52,1.57,;-4.52,.03,;-5.85,-.74,;-7.19,.03,;-7.96,-1.3,;-8.73,.03,;-7.19,1.57,;-5.85,2.34,)|

BDBM451846

C[C@@H]1CCCN1Cc1ccc(c(F)c1F)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:1.0,25.27,28.31,wD:28.32,(4.75,-2.79,;6.24,-3.19,;6.71,-4.65,;8.25,-4.65,;8.73,-3.19,;7.48,-2.28,;7.48,-.74,;6.15,.03,;4.81,-.74,;3.48,.03,;3.48,1.57,;4.81,2.34,;4.81,3.88,;6.15,1.57,;7.48,2.34,;2.15,2.34,;2.15,3.88,;.81,4.65,;-.52,3.88,;-1.85,4.65,;-.52,2.34,;.81,1.57,;-1.85,1.57,;-1.85,.03,;-3.19,2.34,;-4.52,1.57,;-4.52,.03,;-5.85,-.74,;-7.19,.03,;-7.96,-1.3,;-8.73,.03,;-7.19,1.57,;-5.85,2.34,)|

BDBM451799

C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:1.0,23.25,wD:26.29,(8.86,-3.39,;8.86,-1.85,;9.89,-.71,;9.12,.62,;7.61,.3,;7.45,-1.23,;6.12,-2,;4.78,-1.23,;3.45,-2,;2.12,-1.23,;2.12,.31,;3.45,1.08,;4.78,.31,;.78,1.08,;.78,2.62,;-.55,3.39,;-1.89,2.62,;-3.22,3.39,;-1.89,1.08,;-.55,.31,;-3.22,.31,;-3.22,-1.23,;-4.55,1.08,;-5.89,.31,;-5.89,-1.23,;-7.22,-2,;-8.55,-1.23,;-9.89,-2,;-8.55,.31,;-7.22,1.08,)|

BDBM451843

C[C@@H]1CCCN1Cc1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:23.25,26.29,1.0,wD:26.30,(9.26,-3.37,;8.86,-1.88,;9.89,-.73,;9.12,.6,;7.61,.28,;7.45,-1.25,;6.12,-2.02,;4.78,-1.25,;3.45,-2.02,;2.12,-1.25,;2.12,.29,;3.45,1.06,;4.78,.29,;.78,1.06,;.78,2.6,;-.55,3.37,;-1.89,2.6,;-3.22,3.37,;-1.89,1.06,;-.55,.29,;-3.22,.29,;-3.22,-1.25,;-4.55,1.06,;-5.89,.29,;-5.89,-1.25,;-7.22,-2.02,;-8.55,-1.25,;-8.95,-2.74,;-9.89,-2.02,;-8.55,.29,;-7.22,1.06,)|

BDBM451858

C[C@@H]1CCCN1Cc1ccc(cc1Cl)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:24.26,27.30,1.0,wD:27.31,(4.75,-2.79,;6.24,-3.19,;6.71,-4.65,;8.25,-4.65,;8.73,-3.19,;7.48,-2.28,;7.48,-.74,;6.15,.03,;4.81,-.74,;3.48,.03,;3.48,1.57,;4.81,2.34,;6.15,1.57,;7.48,2.34,;2.15,2.34,;2.15,3.88,;.81,4.65,;-.52,3.88,;-1.85,4.65,;-.52,2.34,;.81,1.57,;-1.85,1.57,;-1.85,.03,;-3.19,2.34,;-4.52,1.57,;-4.52,.03,;-5.85,-.74,;-7.19,.03,;-7.96,-1.3,;-8.73,.03,;-7.19,1.57,;-5.85,2.34,)|

BDBM451816

C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:24.26,27.30,1.0,wD:27.31,(4.77,-2.71,;6.24,-3.19,;6.71,-4.65,;8.25,-4.65,;8.73,-3.19,;7.48,-2.28,;7.48,-.74,;6.15,.03,;4.81,-.74,;3.48,.03,;3.48,1.57,;4.81,2.34,;6.15,1.57,;7.48,2.34,;2.15,2.34,;2.15,3.88,;.81,4.65,;-.52,3.88,;-1.85,4.65,;-.52,2.34,;.81,1.57,;-1.85,1.57,;-1.85,.03,;-3.19,2.34,;-4.52,1.57,;-4.52,.03,;-5.85,-.74,;-7.19,.03,;-7.96,-1.3,;-8.73,.03,;-7.19,1.57,;-5.85,2.34,)|

BDBM451772

C[C@H](N1CC2(COC2)C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:1.0,25.28,wD:28.32,(5.54,-3.46,;5.54,-1.92,;6.88,-1.16,;8.36,-1.55,;8.76,-.07,;10.25,-.46,;10.65,1.02,;9.16,1.42,;7.27,.33,;4.21,-1.16,;2.87,-1.92,;1.54,-1.16,;1.54,.38,;2.87,1.16,;4.21,.38,;.21,1.16,;.21,2.7,;-1.13,3.46,;-2.46,2.7,;-3.79,3.46,;-2.46,1.16,;-1.13,.38,;-3.79,.38,;-3.79,-1.16,;-5.13,1.16,;-6.46,.38,;-6.6,-1.15,;-7.99,-1.8,;-9.25,-.92,;-10.65,-1.57,;-9.12,.62,;-7.72,1.27,)|

BDBM451855

C[C@]1(O)CC[C@@H](CC1)NC(=O)c1cc(cnc1N)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCC(F)(F)CC1 |r,wU:24.26,5.8,1.0,wD:1.1,26.28,(-9.51,.06,;-8.02,-.33,;-9.36,-1.1,;-6.69,-1.1,;-5.36,-.33,;-5.36,1.21,;-6.69,1.98,;-8.02,1.21,;-4.02,1.98,;-4.02,3.52,;-5.36,4.29,;-2.69,4.29,;-1.35,3.52,;-.02,4.29,;-.02,5.83,;-1.35,6.6,;-2.69,5.83,;-4.02,6.6,;1.31,3.52,;1.31,1.98,;2.65,1.21,;3.98,1.98,;3.98,3.52,;2.65,4.29,;5.31,1.21,;5.47,2.74,;6.72,1.83,;7.75,.69,;6.98,-.65,;5.47,-.33,;7.38,-2.13,;6.29,-3.22,;6.69,-4.71,;8.18,-5.11,;7.78,-6.6,;9.51,-5.88,;9.27,-4.02,;8.87,-2.53,)|

BDBM451782

C[C@]1(O)CC[C@@H](CC1)NC(=O)c1cc(cnc1N)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r,wU:24.26,5.8,1.0,wD:26.28,1.1,(-9.61,-.18,;-8.3,-.96,;-9.5,-1.61,;-7.04,-1.84,;-5.64,-1.19,;-5.51,.34,;-6.77,1.22,;-8.16,.57,;-4.17,1.11,;-4.17,2.65,;-5.51,3.42,;-2.84,3.42,;-1.51,2.65,;-.17,3.42,;-.17,4.96,;-1.51,5.73,;-2.84,4.96,;-4.17,5.73,;1.16,2.65,;1.16,1.11,;2.49,.34,;3.83,1.11,;3.83,2.65,;2.49,3.42,;5.16,.34,;5.32,1.87,;6.57,.97,;7.6,-.18,;6.83,-1.51,;5.32,-1.19,;7.46,-2.92,;6.55,-4.16,;7.18,-5.57,;8.71,-5.73,;9.61,-4.49,;8.99,-3.08,)|

BDBM451829

C[C@]1(O)CC[C@@H](CC1)NC(=O)c1cc(cnc1N)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1CCC(F)(F)CC1 |r,wU:5.8,26.28,1.0,wD:24.26,1.1,(-9.53,.23,;-8.1,-.2,;-9.38,-.97,;-6.84,-1.08,;-5.44,-.43,;-5.31,1.1,;-6.57,1.99,;-7.96,1.34,;-3.97,1.87,;-3.97,3.41,;-5.31,4.18,;-2.64,4.18,;-1.31,3.41,;.03,4.18,;.03,5.72,;-1.31,6.49,;-2.64,5.72,;-3.97,6.49,;1.36,3.41,;1.36,1.87,;2.69,1.1,;4.03,1.87,;4.03,3.41,;2.69,4.18,;5.36,1.1,;5.52,2.63,;6.77,1.73,;7.8,.58,;7.03,-.75,;5.52,-.43,;7.64,-2.03,;6.55,-3.12,;6.95,-4.61,;8.44,-5.01,;8.04,-6.49,;9.53,-6.09,;9.53,-3.92,;9.13,-2.43,)|

BDBM451833

C[C@]1(O)CC[C@@H](CC1)NC(=O)c1cc(cnc1N)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1CCOCC1 |r,wU:5.8,26.28,1.0,wD:1.1,24.26,(-9.79,-.91,;-8.3,-1.31,;-9.63,-2.08,;-6.96,-2.08,;-5.63,-1.31,;-5.63,.23,;-6.96,1,;-8.3,.23,;-4.3,1,;-4.3,2.54,;-5.63,3.31,;-2.96,3.31,;-1.63,2.54,;-.3,3.31,;-.3,4.85,;-1.63,5.62,;-2.96,4.85,;-4.3,5.62,;1.04,2.54,;1.04,1,;2.37,.23,;3.7,1,;3.7,2.54,;2.37,3.31,;5.04,.23,;5.04,1.77,;6.45,1.07,;7.48,-.29,;6.71,-1.62,;5.2,-1.3,;7.48,-2.95,;6.71,-4.29,;7.48,-5.62,;9.02,-5.62,;9.79,-4.29,;9.02,-2.95,)|

BDBM486440

NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@@H]1CC[C@H](O)CC1 |r,wD:19.20,22.24,(.62,10.48,;1.95,9.71,;3.28,10.48,;1.95,8.17,;.62,7.4,;.62,5.86,;1.95,5.09,;3.28,5.86,;3.28,7.4,;1.95,3.55,;3.28,2.78,;3.28,1.24,;1.95,.47,;1.95,-1.07,;.62,1.24,;.62,2.78,;-.72,.47,;-2.05,1.24,;-.72,-1.07,;-2.05,-1.84,;-2.05,-3.38,;-3.39,-4.15,;-4.72,-3.38,;-6.05,-4.15,;-4.72,-1.84,;-3.39,-1.07,)|

BDBM451798

Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r|

BDBM451796

Nc1ncc(cc1C(=O)NC12CC(CO)(C1)C2)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1CCOCC1 |r|

BDBM451853

Nc1ncc(cc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCC(F)(F)CC1 |r|

BDBM451802

Nc1ncc(cc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r|

BDBM451835

Nc1ncc(cc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1COC1 |r|

BDBM451828

Nc1ncc(cc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r|

BDBM451783

Nc1ncc(cc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCN1CCOCC1)C2 |r|

BDBM451803

Nc1ncc(cc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1CCC(F)(F)CC1 |r|

BDBM451811

Nc1ncc(cc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1CCOCC1 |r|

BDBM451834

Nc1ncc(cc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r|

BDBM451845

Nc1ncc(cc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(cc1)[C@]12C[C@H]1CN(CCF)C2 |r|

BDBM451808

Nc1ncc(cc1C(=O)NC12CCC(O)(CC1)CC2)-c1ccc(cc1)[C@]12C[C@H]1CN(CCN1CCOCC1)C2 |r|

BDBM451812

Nc1ncc(cc1C(=O)NC1CCCCC1)-c1ccc(OCCCN2CCCCC2)cc1

BDBM451823

Nc1ncc(cc1C(=O)NC1CCCCC1)-c1ccc(OCCCN2CCOCC2)cc1

BDBM451840

Nc1ncc(cc1C(=O)NC1CCCCC1)-c1ccc(cc1)C(=O)N1CCOCC1

BDBM451832

Nc1ncc(cc1C(=O)NC1CCCCC1)-c1ccc(cc1)N1CCCCC1

BDBM451820

Nc1ncc(cc1C(=O)NC1CCCCC1)-c1ccc(cc1)N1CCOCC1

BDBM451861

Nc1ncc(cc1C(=O)NC1CCCCC1)-c1cccc(c1)C(=O)N1CCN(CCO)CC1

BDBM451857

Nc1ncc(cc1C(=O)NC1CCCCC1)-c1cccc(c1)C(=O)N1CCOCC1

BDBM451789

Nc1ncc(cc1C(=O)N[C@@H]1CC[C@@H](O)[C@@H](F)C1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r|

BDBM451790

Nc1ncc(cc1C(=O)N[C@@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r,wU:23.25,wD:25.27,10.10,13.14,(-3.92,5.73,;-2.58,4.96,;-1.25,5.73,;.08,4.96,;.08,3.42,;-1.25,2.65,;-2.58,3.42,;-3.92,2.65,;-5.25,3.42,;-3.92,1.11,;-5.41,.71,;-5.8,-.77,;-7.29,-1.17,;-8.38,-.08,;-9.87,-.48,;-7.98,1.4,;-6.5,1.8,;1.42,2.65,;1.42,1.11,;2.75,.34,;4.08,1.11,;4.08,2.65,;2.75,3.42,;5.42,.34,;5.58,1.87,;6.82,.97,;7.85,-.18,;7.08,-1.51,;5.58,-1.19,;7.71,-2.92,;6.81,-4.16,;7.43,-5.57,;8.96,-5.73,;9.87,-4.49,;9.24,-3.08,)|

BDBM451791

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(CN2CC3(CCC3)C2)cc1 |r,wU:10.10,wD:13.14,(-4.25,3.17,;-2.92,2.4,;-1.59,3.17,;-.25,2.4,;-.25,.86,;-1.59,.09,;-2.92,.86,;-4.25,.09,;-4.25,-1.45,;-5.59,.86,;-6.92,.09,;-6.52,-1.39,;-7.61,-2.48,;-9.1,-2.08,;-10.19,-3.17,;-9.5,-.6,;-8.41,.49,;1.08,.09,;1.08,-1.45,;2.41,-2.22,;3.75,-1.45,;5.08,-2.22,;6.42,-1.45,;7.9,-1.85,;8.3,-.36,;9.79,-.76,;10.19,.73,;8.7,1.13,;6.81,.04,;3.75,.09,;2.41,.86,)|

BDBM451786

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)C1CCNC1 |r,wU:10.10,wD:13.14,(-3.71,4.49,;-2.37,3.72,;-1.04,4.49,;.29,3.72,;.29,2.18,;-1.04,1.41,;-2.37,2.18,;-3.71,1.41,;-5.04,2.18,;-3.71,-.13,;-4.8,-1.22,;-4.4,-2.71,;-5.49,-3.8,;-6.98,-3.4,;-8.06,-4.49,;-7.37,-1.91,;-6.29,-.82,;1.63,1.41,;1.63,-.13,;2.96,-.9,;4.29,-.13,;4.29,1.41,;2.96,2.18,;5.63,-.9,;7.03,-.28,;8.06,-1.42,;7.29,-2.75,;5.79,-2.43,)|

BDBM451774

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C(CF)CF |r,wU:23.25,10.10,wD:25.27,13.14,(-4.31,5.66,;-2.97,4.89,;-1.64,5.66,;-.3,4.89,;-.3,3.35,;-1.64,2.58,;-2.97,3.35,;-4.31,2.58,;-5.64,3.35,;-4.31,1.04,;-5.64,.27,;-5.77,-1.27,;-7.17,-1.92,;-8.43,-1.03,;-9.63,-1.68,;-8.3,.5,;-6.9,1.15,;1.03,2.58,;1.03,1.04,;2.36,.27,;3.7,1.04,;3.7,2.58,;2.36,3.35,;5.03,.27,;5.19,1.8,;6.44,.89,;7.47,-.25,;6.7,-1.58,;5.19,-1.26,;7.32,-2.99,;6.55,-4.32,;7.32,-5.66,;8.86,-2.99,;9.63,-4.32,)|

BDBM451793

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCC(F)(F)CC1 |r,wU:23.25,10.10,wD:25.27,13.14,(-4.21,6.43,;-2.88,5.66,;-1.54,6.43,;-.21,5.66,;-.21,4.12,;-1.54,3.35,;-2.88,4.12,;-4.21,3.35,;-5.54,4.12,;-4.21,1.81,;-5.7,1.42,;-6.1,-.07,;-7.58,-.47,;-8.67,.62,;-10.16,.22,;-8.27,2.11,;-6.79,2.5,;1.12,3.35,;1.12,1.81,;2.46,1.04,;3.79,1.81,;3.79,3.35,;2.46,4.12,;5.13,1.04,;5.29,2.58,;6.53,1.67,;7.56,.53,;6.79,-.81,;5.29,-.49,;7.42,-2.21,;6.51,-3.46,;7.14,-4.87,;8.67,-5.03,;9.3,-6.43,;10.16,-5.43,;9.58,-3.78,;8.95,-2.37,)|

BDBM451807

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCN(CC(F)(F)F)CC1 |r,wU:23.25,10.10,wD:25.27,13.14,(-5.29,7.1,;-3.96,6.33,;-2.63,7.1,;-1.29,6.33,;-1.29,4.79,;-2.63,4.02,;-3.96,4.79,;-5.29,4.02,;-6.63,4.79,;-5.29,2.48,;-6.78,2.08,;-7.18,.6,;-8.67,.2,;-9.76,1.29,;-11.24,.89,;-9.36,2.77,;-7.87,3.17,;.04,4.02,;.04,2.48,;1.38,1.71,;2.71,2.48,;2.71,4.02,;1.38,4.79,;4.04,1.71,;4.2,3.24,;5.45,2.34,;6.48,1.19,;5.71,-.14,;4.2,.18,;6.34,-1.55,;5.43,-2.79,;6.06,-4.2,;7.59,-4.36,;8.22,-5.77,;9.76,-5.77,;10.53,-7.1,;10.53,-4.43,;11.24,-5.37,;8.49,-3.12,;7.87,-1.71,)|

BDBM451787

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCOCC1 |r,wU:23.25,10.10,wD:25.27,13.14,(-3.92,5.73,;-2.58,4.96,;-1.25,5.73,;.08,4.96,;.08,3.42,;-1.25,2.65,;-2.58,3.42,;-3.92,2.65,;-5.25,3.42,;-3.92,1.11,;-5.41,.71,;-5.8,-.77,;-7.29,-1.17,;-8.38,-.08,;-9.87,-.48,;-7.98,1.4,;-6.5,1.8,;1.42,2.65,;1.42,1.11,;2.75,.34,;4.08,1.11,;4.08,2.65,;2.75,3.42,;5.42,.34,;5.58,1.87,;6.82,.97,;7.85,-.18,;7.08,-1.51,;5.58,-1.19,;7.71,-2.92,;6.81,-4.16,;7.43,-5.57,;8.96,-5.73,;9.87,-4.49,;9.24,-3.08,)|

BDBM451813

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCS(=O)(=O)CC1 |r,wU:23.25,10.10,wD:25.27,13.14,(-4.13,6.5,;-2.8,5.73,;-1.47,6.5,;-.13,5.73,;-.13,4.19,;-1.47,3.42,;-2.8,4.19,;-4.13,3.42,;-5.47,4.19,;-4.13,1.88,;-5.62,1.48,;-6.02,-.01,;-7.51,-.4,;-8.6,.69,;-10.08,.29,;-8.2,2.17,;-6.71,2.57,;1.2,3.42,;1.2,1.88,;2.54,1.11,;3.87,1.88,;3.87,3.42,;2.54,4.19,;5.2,1.11,;5.36,2.64,;6.61,1.74,;7.64,.59,;6.87,-.74,;5.36,-.42,;7.5,-2.15,;6.59,-3.39,;7.22,-4.8,;8.75,-4.96,;10.08,-5.73,;8.75,-6.5,;9.65,-3.72,;9.03,-2.31,)|

BDBM451825

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC#C)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|

BDBM451850

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC(F)(F)F)C2 |r,wU:10.10,23.25,wD:13.14,25.27,(-4.73,4.95,;-3.4,4.18,;-2.07,4.95,;-.73,4.18,;-.73,2.64,;-2.07,1.87,;-3.4,2.64,;-4.73,1.87,;-6.07,2.64,;-4.73,.33,;-6.07,-.44,;-6.07,-1.98,;-7.4,-2.75,;-8.73,-1.98,;-10.07,-2.75,;-8.73,-.44,;-7.4,.33,;.6,1.87,;.6,.33,;1.94,-.44,;3.27,.33,;3.27,1.87,;1.94,2.64,;4.6,-.44,;4.76,1.1,;6.01,.19,;7.04,-.95,;6.27,-2.29,;7.04,-3.62,;8.58,-3.62,;9.35,-4.95,;9.35,-2.29,;10.07,-3.22,;4.76,-1.97,)|

BDBM451841

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CC1COC1)C2 |r,wU:10.10,23.25,wD:13.14,25.27,(-5.08,4.83,;-3.74,4.06,;-2.41,4.83,;-1.08,4.06,;-1.08,2.52,;-2.41,1.75,;-3.74,2.52,;-5.08,1.75,;-6.41,2.52,;-5.08,.21,;-6.41,-.56,;-6.41,-2.1,;-7.75,-2.87,;-9.08,-2.1,;-10.41,-2.87,;-9.08,-.56,;-7.75,.21,;.26,1.75,;.26,.21,;1.59,-.56,;2.92,.21,;2.92,1.75,;1.59,2.52,;4.26,-.56,;4.26,.98,;5.67,.28,;6.69,-1.08,;5.92,-2.41,;6.69,-3.74,;8.23,-3.74,;9.32,-4.83,;10.41,-3.74,;9.32,-2.65,;4.42,-2.09,)|

BDBM451818

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCC(F)(F)F)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-5,5.7,;-3.66,4.93,;-2.33,5.7,;-1,4.93,;-1,3.39,;-2.33,2.62,;-3.66,3.39,;-5,2.62,;-6.33,3.39,;-5,1.08,;-6.33,.31,;-6.47,-1.23,;-7.86,-1.88,;-9.12,-.99,;-10.35,-1.6,;-8.99,.54,;-7.59,1.19,;.34,2.62,;.34,1.08,;1.67,.31,;3,1.08,;3,2.62,;1.67,3.39,;4.34,.31,;4.5,1.84,;5.75,.93,;6.78,-.21,;6.01,-1.54,;6.78,-2.88,;8.2,-2.88,;8.97,-4.21,;10.35,-4.21,;8.2,-5.54,;9.37,-5.7,;4.5,-1.22,)|

BDBM451819

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCF)C2 |r,wU:23.25,10.10,wD:13.14,25.27,(-4.31,4.95,;-2.98,4.18,;-1.64,4.95,;-.31,4.18,;-.31,2.64,;-1.64,1.87,;-2.98,2.64,;-4.31,1.87,;-5.64,2.64,;-4.31,.33,;-5.64,-.44,;-5.78,-1.97,;-7.17,-2.62,;-8.44,-1.74,;-9.66,-2.35,;-8.3,-.2,;-6.91,.45,;1.02,1.87,;1.02,.33,;2.36,-.44,;3.69,.33,;3.69,1.87,;2.36,2.64,;5.02,-.44,;5.19,1.1,;6.43,.19,;7.46,-.95,;6.69,-2.29,;7.46,-3.62,;8.89,-3.62,;9.66,-4.95,;5.19,-1.97,)|

BDBM451778

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCN1CCOCC1)C2 |r,wU:23.25,10.10,wD:25.27,13.14,(-5.42,6.3,;-4.09,5.53,;-2.75,6.3,;-1.42,5.53,;-1.42,3.99,;-2.75,3.22,;-4.09,3.99,;-5.42,3.22,;-6.76,3.99,;-5.42,1.68,;-6.76,.91,;-6.89,-.63,;-8.29,-1.28,;-9.55,-.39,;-10.75,-1.04,;-9.41,1.14,;-8.02,1.79,;-.09,3.22,;-.09,1.68,;1.25,.91,;2.58,1.68,;2.58,3.22,;1.25,3.99,;3.91,.91,;4.07,2.44,;5.32,1.53,;6.35,.39,;5.58,-.94,;6.21,-2.35,;7.74,-2.34,;8.44,-3.63,;7.67,-4.96,;8.44,-6.3,;9.98,-6.3,;10.75,-4.96,;9.98,-3.63,;4.07,-.62,)|

BDBM451809

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(CCOCC(F)(F)F)C2 |r,wU:23.25,10.10,wD:25.27,13.14,(-5.92,6.32,;-4.59,5.55,;-3.25,6.32,;-1.92,5.55,;-1.92,4.01,;-3.25,3.24,;-4.59,4.01,;-5.92,3.24,;-7.25,4.01,;-5.92,1.7,;-7.41,1.31,;-7.81,-.18,;-9.29,-.58,;-10.38,.51,;-11.87,.11,;-9.98,2,;-8.5,2.4,;-.59,3.24,;-.59,1.7,;.75,.93,;2.08,1.7,;2.08,3.24,;.75,4.01,;3.42,.93,;3.58,2.47,;4.82,1.56,;5.85,.42,;5.08,-.92,;5.71,-2.32,;7.25,-2.32,;8.02,-3.66,;9.56,-3.66,;10.33,-4.99,;11.87,-4.99,;9.56,-6.32,;11.1,-6.32,;3.58,-.6,)|

BDBM451837

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C(CF)CF |r,wU:10.10,25.27,wD:13.14,23.25,(-4.37,5.62,;-3.04,4.85,;-1.71,5.62,;-.37,4.85,;-.37,3.31,;-1.71,2.54,;-3.04,3.31,;-4.37,2.54,;-5.71,3.31,;-4.37,1,;-5.71,.23,;-5.71,-1.31,;-7.04,-2.08,;-8.38,-1.31,;-9.71,-2.08,;-8.38,.23,;-7.04,1,;.96,2.54,;.96,1,;2.29,.23,;3.63,1,;3.63,2.54,;2.29,3.31,;4.96,.23,;4.96,1.77,;6.37,1.07,;7.4,-.29,;6.63,-1.62,;5.12,-1.3,;7.4,-2.95,;8.94,-2.95,;9.71,-4.29,;6.63,-4.29,;7.4,-5.62,)|

BDBM451795

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1CCC(F)(F)CC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.21,6.43,;-2.88,5.66,;-1.54,6.43,;-.21,5.66,;-.21,4.12,;-1.54,3.35,;-2.88,4.12,;-4.21,3.35,;-5.54,4.12,;-4.21,1.81,;-5.7,1.42,;-6.1,-.07,;-7.58,-.47,;-8.67,.62,;-10.16,.22,;-8.27,2.11,;-6.79,2.5,;1.12,3.35,;1.12,1.81,;2.46,1.04,;3.79,1.81,;3.79,3.35,;2.46,4.12,;5.13,1.04,;5.29,2.58,;6.53,1.67,;7.56,.53,;6.79,-.81,;5.29,-.49,;7.42,-2.21,;6.51,-3.46,;7.14,-4.87,;8.67,-5.03,;9.3,-6.43,;10.16,-5.43,;9.58,-3.78,;8.95,-2.37,)|

BDBM451801

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1CCOCC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.92,5.73,;-2.58,4.96,;-1.25,5.73,;.08,4.96,;.08,3.42,;-1.25,2.65,;-2.58,3.42,;-3.92,2.65,;-5.25,3.42,;-3.92,1.11,;-5.41,.71,;-5.8,-.77,;-7.29,-1.17,;-8.38,-.08,;-9.87,-.48,;-7.98,1.4,;-6.5,1.8,;1.42,2.65,;1.42,1.11,;2.75,.34,;4.08,1.11,;4.08,2.65,;2.75,3.42,;5.42,.34,;5.58,1.87,;6.82,.97,;7.85,-.18,;7.08,-1.51,;5.58,-1.19,;7.71,-2.92,;6.81,-4.16,;7.43,-5.57,;8.96,-5.73,;9.87,-4.49,;9.24,-3.08,)|

BDBM451794

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1COC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.56,5.32,;-2.22,4.55,;-.89,5.32,;.44,4.55,;.44,3.01,;-.89,2.24,;-2.22,3.01,;-3.56,2.24,;-4.89,3.01,;-3.56,.7,;-5.05,.3,;-5.44,-1.19,;-6.93,-1.59,;-8.02,-.5,;-9.51,-.9,;-7.62,.99,;-6.13,1.39,;1.78,2.24,;1.78,.7,;3.11,-.07,;4.44,.7,;4.44,2.24,;3.11,3.01,;5.78,-.07,;5.94,1.46,;7.18,.56,;8.21,-.59,;7.44,-1.92,;5.94,-1.6,;8.07,-3.33,;7.52,-4.77,;8.96,-5.32,;9.51,-3.88,)|

BDBM451824

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CC#C)C2 |r,wU:10.10,25.27,wD:23.25,13.14,(-4.69,4.29,;-3.36,3.52,;-2.02,4.29,;-.69,3.52,;-.69,1.98,;-2.02,1.21,;-3.36,1.98,;-4.69,1.21,;-6.03,1.98,;-4.69,-.33,;-6.03,-1.1,;-6.16,-2.64,;-7.56,-3.29,;-8.82,-2.4,;-10.04,-3.01,;-8.68,-.87,;-7.29,-.22,;.64,1.21,;.64,-.33,;1.98,-1.1,;3.31,-.33,;3.31,1.21,;1.98,1.98,;4.64,-1.1,;4.8,.43,;6.05,-.48,;7.08,-1.62,;6.31,-2.95,;7.08,-4.29,;8.51,-4.29,;10.04,-4.29,;4.8,-2.63,)|

BDBM451838

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CC(F)(F)F)C2 |r,wU:10.10,25.27,wD:13.14,23.25,(-4.73,4.95,;-3.4,4.18,;-2.07,4.95,;-.73,4.18,;-.73,2.64,;-2.07,1.87,;-3.4,2.64,;-4.73,1.87,;-6.07,2.64,;-4.73,.33,;-6.07,-.44,;-6.07,-1.98,;-7.4,-2.75,;-8.73,-1.98,;-10.07,-2.75,;-8.73,-.44,;-7.4,.33,;.6,1.87,;.6,.33,;1.94,-.44,;3.27,.33,;3.27,1.87,;1.94,2.64,;4.6,-.44,;4.6,1.1,;6.01,.4,;7.04,-.95,;6.27,-2.29,;7.04,-3.62,;8.58,-3.62,;9.35,-4.95,;10.07,-3.22,;9.35,-2.29,;4.76,-1.97,)|

BDBM451806

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CC1COC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.7,4.87,;-3.37,4.1,;-2.03,4.87,;-.7,4.1,;-.7,2.56,;-2.03,1.79,;-3.37,2.56,;-4.7,1.79,;-6.03,2.56,;-4.7,.25,;-6.19,-.15,;-6.58,-1.64,;-8.07,-2.04,;-9.16,-.95,;-10.65,-1.35,;-8.76,.54,;-7.28,.94,;.64,1.79,;.64,.25,;1.97,-.52,;3.3,.25,;3.3,1.79,;1.97,2.56,;4.64,-.52,;4.8,1.01,;6.04,.11,;7.07,-1.04,;6.3,-2.37,;6.93,-3.78,;8.47,-3.78,;9.56,-4.87,;10.65,-3.78,;9.56,-2.69,;4.8,-2.05,)|

BDBM451822

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCC#N)C2 |r,wU:10.10,25.27,wD:23.25,13.14,(-4.72,5.67,;-3.39,4.9,;-2.05,5.67,;-.72,4.9,;-.72,3.36,;-2.05,2.59,;-3.39,3.36,;-4.72,2.59,;-6.06,3.36,;-4.72,1.05,;-6.06,.28,;-6.19,-1.26,;-7.59,-1.91,;-8.85,-1.03,;-10.07,-1.64,;-8.71,.51,;-7.32,1.16,;.61,2.59,;.61,1.05,;1.95,.28,;3.28,1.05,;3.28,2.59,;1.95,3.36,;4.61,.28,;4.77,1.81,;6.02,.9,;7.05,-.24,;6.28,-1.58,;7.05,-2.91,;8.48,-2.91,;9.25,-4.24,;10.07,-5.67,;4.77,-1.26,)|

BDBM451785

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCC(F)(F)F)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.76,5.73,;-3.43,4.96,;-2.1,5.73,;-.76,4.96,;-.76,3.42,;-2.1,2.65,;-3.43,3.42,;-4.76,2.65,;-6.1,3.42,;-4.76,1.11,;-6.25,.72,;-6.65,-.77,;-8.14,-1.17,;-9.23,-.08,;-10.72,-.48,;-8.83,1.41,;-7.34,1.81,;.57,2.65,;.57,1.11,;1.9,.34,;3.24,1.11,;3.24,2.65,;1.9,3.42,;4.57,.34,;4.73,1.88,;5.98,.97,;7.01,-.17,;6.24,-1.51,;6.86,-2.91,;8.41,-2.91,;9.18,-4.25,;10.72,-4.25,;8.41,-5.58,;9.57,-5.73,;4.73,-1.19,)|

BDBM451773

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|

BDBM451779

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCF)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-4.27,4.96,;-2.93,4.19,;-1.6,4.96,;-.27,4.19,;-.27,2.65,;-1.6,1.88,;-2.93,2.65,;-4.27,1.88,;-5.6,2.65,;-4.27,.34,;-5.6,-.43,;-5.74,-1.96,;-7.13,-2.61,;-8.39,-1.73,;-9.6,-2.38,;-8.26,-.19,;-6.86,.46,;1.07,1.88,;1.07,.34,;2.4,-.43,;3.74,.34,;3.74,1.88,;2.4,2.65,;5.07,-.43,;5.23,1.11,;6.48,.2,;7.51,-.94,;6.74,-2.28,;7.36,-3.68,;8.89,-3.68,;9.6,-4.96,;5.23,-1.96,)|

BDBM451781

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-5.42,6.3,;-4.09,5.53,;-2.75,6.3,;-1.42,5.53,;-1.42,3.99,;-2.75,3.22,;-4.09,3.99,;-5.42,3.22,;-6.76,3.99,;-5.42,1.68,;-6.76,.91,;-6.89,-.63,;-8.29,-1.28,;-9.55,-.39,;-10.75,-1.04,;-9.41,1.14,;-8.02,1.79,;-.09,3.22,;-.09,1.68,;1.25,.91,;2.58,1.68,;2.58,3.22,;1.25,3.99,;3.91,.91,;4.07,2.44,;5.32,1.53,;6.35,.39,;5.58,-.94,;6.21,-2.35,;7.74,-2.34,;8.44,-3.63,;7.67,-4.96,;8.44,-6.3,;9.98,-6.3,;10.75,-4.96,;9.98,-3.63,;4.07,-.62,)|

BDBM451797

Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1F)N1CCNCC1 |r,wU:10.10,wD:13.14,(-2.44,3.85,;-1.1,3.08,;.23,3.85,;1.56,3.08,;1.56,1.54,;.23,.77,;-1.1,1.54,;-2.44,.77,;-2.44,-.77,;-3.77,1.54,;-5.1,.77,;-5.5,-.72,;-6.99,-1.12,;-8.08,-.03,;-9.57,-.43,;-7.68,1.46,;-6.19,1.86,;2.9,.77,;2.9,-.77,;4.23,-1.54,;5.57,-.77,;5.57,.77,;4.23,1.54,;4.23,3.08,;6.9,-1.54,;6.9,-3.08,;8.23,-3.85,;9.57,-3.08,;9.57,-1.54,;8.23,-.77,)|