SMILES for Tyrosine-protein phosphatase non-receptor type 11 [E76K]

N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1c(F)cccc1Cl |r,wD:1.0,(6.6,-1.58,;5.83,-2.91,;6.74,-4.16,;5.83,-5.4,;4.37,-4.93,;4.37,-3.39,;3.04,-4.16,;1.7,-3.39,;1.7,-1.85,;3.04,-1.08,;4.37,-1.85,;.37,-1.08,;.37,.46,;-.97,1.23,;-2.3,.46,;-3.76,.94,;-4.67,-.31,;-3.76,-1.55,;-2.3,-1.08,;-.97,-1.85,;-4.16,2.43,;-3.07,3.52,;-1.59,3.12,;-3.47,5,;-4.96,5.4,;-6.05,4.31,;-5.65,2.83,;-6.74,1.74,)|

BDBM384155

N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccnc1Cl |r|

BDBM384157

N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1 |r|

BDBM384158

N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cc(Cl)cc(Cl)c1 |r|

BDBM384159

N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccc(Cl)c(Cl)c1 |r|

BDBM384160

N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccc(F)c(Cl)c1 |r|

BDBM384161

N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(c1)C(F)(F)F |r|

BDBM384162

N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1F |r|

BDBM384163

COc1cccc(-c2n[nH]c3nc(cnc23)N2CCC3(CCC[C@H]3N)CC2)c1Cl |r|

BDBM384164

Cc1c(Cl)cccc1-c1n[nH]c2nc(cnc12)N1CCC2(CCC[C@H]2N)CC1 |r|

BDBM384165

COc1cc(Cl)cc(c1)-c1n[nH]c2nc(cnc12)N1CCC2(CCC[C@H]2N)CC1 |r|

BDBM384166

N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccnc1Cl |r|

BDBM384167

N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl |r|

BDBM384168

Cc1ncccc1-c1n[nH]c2nc(cnc12)N1CCC2(CCC[C@H]2N)CC1 |r|

BDBM384169

N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccncc1Cl |r|

BDBM384170

NC1(CO)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl

BDBM384171

NC1(CF)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl

BDBM384173

NCC1(O)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl

BDBM384174

NC1(CO)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl

BDBM384177

NC1[C@H](F)CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|

BDBM384178

NC1[C@@H](F)CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|

BDBM384179

NC1C(F)(F)CC[C@]11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|

BDBM384181

CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cn[nH]c1C(F)(F)F

BDBM384182

N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cn[nH]c1C(F)(F)F |r|

BDBM384183

CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cn[nH]c1C(F)(F)F

BDBM384184

CNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC(C)(CN)CC2)c1Cl

BDBM384185

CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(N)c1Cl

BDBM384186

CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl

BDBM384187

CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl

BDBM384188

N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(O)c1Cl |r|

BDBM384189

N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(O)c1Cl |r|

BDBM384190

NC1(CO)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(O)c1Cl

BDBM384191

CNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC3(CCC[C@H]3N)CC2)c1Cl |r|

BDBM384192

CNc1nccc(-c2n[nH]c3nc(cnc23)N2CCC(C)(N)CC2)c1Cl

BDBM384193

COc1ccc(CNc2nccc(C(=O)c3ncc(nc3Cl)N3CCC(C)(CC3)[C@@H](C)NS(=O)C(C)(C)C)c2Cl)cc1

BDBM384194

NCC1(O)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl

BDBM384195

NC1CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl

BDBM384196

N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|

BDBM384197

CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(O)c1Cl

BDBM384198

CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(O)c1Cl

BDBM384199

Nc1nccc(-c2n[nH]c3nc(cnc23)N2CCC(N)(CO)CC2)c1Cl

BDBM384200

NCC1(O)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(O)c1Cl

BDBM384201

NC1(CO)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1c(F)cccc1Cl |(5.6,-3.61,;4.12,-4.01,;5.45,-4.78,;6.99,-4.78,;2.78,-4.78,;1.45,-4.01,;1.45,-2.47,;2.78,-1.7,;4.12,-2.47,;.12,-1.7,;.12,-.16,;-1.22,.61,;-2.55,-.16,;-4.02,.32,;-4.92,-.93,;-4.02,-2.18,;-2.55,-1.7,;-1.22,-2.47,;-4.41,1.8,;-3.33,2.89,;-1.84,2.49,;-3.72,4.38,;-5.21,4.78,;-6.3,3.69,;-5.9,2.2,;-6.99,1.11,)|

BDBM384202

Cc1c(N)nccc1C(=N)c1ncc(nc1N)N1CCC2(CCC[C@H]2N)CC1 |r|

BDBM384203

Cc1c(N)nccc1-c1n[nH]c2nc(cnc12)N1CCC(C)(N)CC1

BDBM384204

Cc1c(N)nccc1-c1n[nH]c2nc(cnc12)N1CCC(C)(CN)CC1

BDBM384205

N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cc(N)ncc1Cl |r|

BDBM384206

N[C@@H]1C[C@@H](O)CC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|

BDBM384207

N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|

BDBM384208

N[C@@H]1CCCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(N)c1Cl |r|

BDBM384209

CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(N)c1Cl

BDBM384210

CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cc(N)ncc1Cl

BDBM384211

NCC1(O)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cc(N)ncc1Cl

BDBM384212

CCC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl

BDBM384213

NC1CC[C@]11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|

BDBM384215

N[C@@H]1COCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cc(N)ncc1Cl |r|

BDBM384216

CC1(N)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cc(N)ccc1Cl

BDBM475734

N[C@H]1[C@@H](F)CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|

BDBM475735

N[C@@H]1[C@@H](F)CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|

BDBM475736

N[C@@H]1C(F)(F)CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|

BDBM475737

N[C@H]1C(F)(F)CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|

BDBM475750

CC(N)C1(C)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl

BDBM475759

Cc1c(N)nccc1-c1n[nH]c2nc(cnc12)N1CCC2(CCC[C@H]2N)CC1 |r|

BDBM488470

Cc1nc2c(n[nH]c2nc1N1CCC(C)(N)CC1)-c1cccc(Cl)c1Cl

BDBM488471

CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1Br

BDBM488472

CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1O

BDBM488473

CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1C#N

BDBM488474

CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1-c1cc[nH]n1

BDBM488475

COc1nc2c(n[nH]c2nc1N1CCC(C)(N)CC1)-c1cccc(Cl)c1Cl

BDBM488476

CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1CO

BDBM488477

CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1C(N)=O

BDBM488478

CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1C=O

BDBM488479

CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1Cl

BDBM488480

CNc1nccc(-c2n[nH]c3nc(N4CCC(C)(N)CC4)c(CO)nc23)c1Cl

BDBM488481

CC(O)c1nc2c(n[nH]c2nc1N1CCC(C)(N)CC1)-c1cccc(Cl)c1Cl

BDBM488482

CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1C(=O)NO

BDBM488483

CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1C(F)F

BDBM488484

CC1(N)CCN(CC1)c1nc2[nH]nc(-c3cccc(Cl)c3Cl)c2nc1CF

BDBM488485

C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(Cl)c4Cl)c3nc2CO)[C@@H]1N |r|

BDBM488486

CCNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)c(CO)nc23)c1Cl |r|

BDBM488487

CCNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)c(C)nc23)c1Cl |r|

BDBM488488

CCNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)c(Cl)nc23)c1Cl |r|

BDBM488489

CNc1nccc(-c2n[nH]c3nc(N4CCC5(CO[C@@H](C)[C@H]5N)CC4)c(CO)nc23)c1Cl |r|

BDBM488490

C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4cccc(OC5COC5)c4Cl)c3nc2CO)[C@@H]1N |r|

BDBM488491

C[C@@H]1OCC2(CCN(CC2)c2nc3[nH]nc(-c4ccnc(OC5COC5)c4Cl)c3nc2CO)[C@@H]1N |r|

BDBM497001

Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(N)CC1 |(-2.21,2.67,;-1.44,1.33,;.1,1.33,;.87,,;.1,-1.33,;-1.46,-1.38,;-2.23,-2.72,;-2.21,,;-3.75,,;-4.52,1.33,;-6.06,1.33,;-6.83,,;-6.06,-1.33,;-6.83,-2.67,;-4.43,-1.41,;-3.64,-2.73,;2.41,,;3.18,-1.33,;4.72,-1.33,;5.49,,;6.83,-.77,;6.83,.77,;4.72,1.33,;3.18,1.33,)|

BDBM516906

C[C@@H]1OC2(C[C@@H]1N)CCN(CC2)c1cc(=O)n(c(C)n1)-c1cccc(Cl)c1Cl |r,wD:1.0,5.6,(14.64,1.9,;13.11,2.06,;12.08,.91,;10.67,1.54,;10.83,3.07,;12.34,3.39,;12.96,4.8,;10.67,,;9.34,-.77,;8,,;8,1.54,;9.34,2.31,;6.67,-.77,;6.67,-2.31,;5.33,-3.08,;5.33,-4.62,;4,-2.31,;4,-.77,;2.67,,;5.33,,;2.67,-3.08,;2.67,-4.62,;1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;1.33,-2.31,;1.33,-.77,)|

BDBM497007

Cc1nc(cc(=O)n1-c1cccc(Cl)c1Cl)N1CCC(C)(CN)CC1 |(-2.21,2.67,;-1.44,1.33,;.1,1.33,;.87,,;.1,-1.33,;-1.46,-1.38,;-2.23,-2.72,;-2.21,,;-3.75,,;-4.52,1.33,;-6.06,1.33,;-6.83,,;-6.06,-1.33,;-6.83,-2.67,;-4.43,-1.41,;-3.64,-2.73,;2.41,,;3.18,-1.33,;4.72,-1.33,;5.49,,;6.83,-.77,;6.83,.77,;6.83,2.31,;4.72,1.33,;3.18,1.33,)|

BDBM516911

CCC1(N)CCN(CC1)c1cc(=O)n(c(C)n1)-c1cccc(Cl)c1Cl |(6.49,-4.9,;4.95,-4.9,;4.18,-3.57,;5.72,-3.57,;2.85,-4.34,;1.51,-3.57,;1.51,-2.03,;2.85,-1.26,;4.18,-2.03,;.18,-1.26,;.18,.28,;-1.15,1.05,;-1.15,2.59,;-2.49,.28,;-2.49,-1.26,;-3.82,-2.03,;-1.15,-2.03,;-3.82,1.05,;-5.16,.28,;-6.49,1.05,;-6.49,2.59,;-5.16,3.36,;-5.16,4.9,;-3.82,2.59,;-2.49,3.36,)|

BDBM516912

C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2cccc(F)c2F)[C@@H]1N |r,wD:26.30,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-3.32,-1,;-4.65,-1.77,;-1.98,-1.77,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;4.76,-2.68,;5.08,-1.18,)|

BDBM516913

C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2ccc(Br)c(Cl)c2Cl)[C@@H]1N |r,wD:27.31,1.0,(7.99,-3.67,;6.45,-3.83,;5.68,-5.16,;4.18,-4.84,;4.02,-3.31,;2.68,-4.08,;1.35,-3.31,;1.35,-1.77,;2.68,-1,;4.02,-1.77,;.02,-1,;.02,.54,;-1.32,1.31,;-1.32,2.85,;-2.65,.54,;-2.65,-1,;-3.98,-1.77,;-1.32,-1.77,;-3.98,1.31,;-5.32,.54,;-6.65,1.31,;-6.65,2.85,;-7.99,3.62,;-5.32,3.62,;-5.32,5.16,;-3.98,2.85,;-2.65,3.62,;5.42,-2.68,;5.74,-1.18,)|

BDBM516914

COc1cccc(c1Cl)-n1c(C)nc(cc1=O)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r,wD:25.28,23.25,(-7.32,5.6,;-5.99,4.83,;-5.99,3.29,;-7.32,2.47,;-7.32,.93,;-5.99,.16,;-4.65,.93,;-4.65,2.47,;-3.32,3.24,;-3.32,.16,;-3.32,-1.38,;-4.65,-2.15,;-1.98,-2.15,;-.65,-1.38,;-.65,.16,;-1.98,.93,;-1.98,2.47,;.68,-2.15,;.68,-3.69,;2.02,-4.46,;3.35,-3.69,;3.51,-5.23,;5.02,-5.55,;5.79,-4.21,;7.32,-4.05,;4.76,-3.07,;5.08,-1.56,;3.35,-2.15,;2.02,-1.38,)|

BDBM516915

COc1cccc(c1Cl)-n1c(C)nc(cc1=O)N1CCC2(CO[C@@H](C)[C@H]2N)CC1 |r,wD:25.28,23.25,(-9.99,.93,;-8.65,.16,;-6.86,1.39,;-7.32,2.47,;-7.32,.93,;-5.99,.16,;-4.65,.93,;-4.65,2.47,;-3.32,3.24,;-3.32,.16,;-3.32,-1.38,;-4.65,-2.15,;-1.98,-2.15,;-.65,-1.38,;-.65,.16,;-1.98,.93,;-1.98,2.47,;.68,-2.15,;.68,-3.69,;2.02,-4.46,;3.35,-3.69,;3.51,-5.23,;5.02,-5.55,;5.79,-4.21,;7.32,-4.05,;4.76,-3.07,;5.08,-1.56,;3.35,-2.15,;2.02,-1.38,)|

BDBM516916

C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2cccc(Cl)c2Br)[C@@H]1N |r,wD:26.30,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-3.32,-1,;-4.65,-1.77,;-1.98,-1.77,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;4.76,-2.68,;5.08,-1.18,)|

BDBM516917

C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2Cl)[C@@H]1N |r,wD:27.31,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-1.98,-1.77,;-3.32,-1,;-4.65,-1.77,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-1.98,1.31,;-1.98,2.85,;-.65,.54,;.68,1.31,;4.76,-2.68,;5.08,-1.18,)|

BDBM497074

C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wD:27.31,1.0,(7.31,-3.02,;5.85,-3.49,;5.37,-4.96,;3.83,-4.96,;3.36,-3.49,;2.02,-4.26,;.69,-3.49,;.69,-1.95,;2.02,-1.18,;3.36,-1.95,;-.64,-1.18,;-.64,.36,;-1.98,1.13,;-1.98,2.67,;-3.31,.36,;-4.65,1.13,;-5.98,.36,;-7.31,1.13,;-7.31,2.67,;-5.98,3.44,;-5.98,4.98,;-4.65,2.67,;-3.31,3.44,;-3.31,-1.18,;-4.65,-1.95,;-1.98,-1.95,;-1.98,-3.49,;4.6,-2.59,;4.6,-1.05,)|

BDBM497029

C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2C(F)(F)F)[C@@H]1N |r,wD:30.34,1.0,(7.99,-2.9,;6.45,-3.06,;5.68,-4.39,;4.18,-4.07,;4.02,-2.54,;2.68,-3.31,;1.35,-2.54,;1.35,-1,;2.68,-.23,;4.02,-1,;.02,-.23,;.02,1.31,;-1.32,2.08,;-1.32,3.62,;-2.65,1.31,;-3.98,2.08,;-3.98,3.62,;-5.32,4.39,;-6.65,3.62,;-6.65,2.08,;-7.99,1.31,;-5.32,1.31,;-5.32,-.23,;-2.65,-.23,;-3.98,-1,;-1.32,-1,;-1.32,-2.54,;-1.32,-4.08,;-2.65,-3.31,;.02,-3.31,;5.42,-1.91,;5.74,-.41,)|

BDBM516921

C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3cccc(Cl)c3Cl)c(=O)c2Br)[C@@H]1N |r,wD:27.31,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-1.98,-1.77,;-3.32,-1,;-4.65,-1.77,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-1.98,1.31,;-1.98,2.85,;-.65,.54,;.68,1.31,;4.76,-2.68,;5.08,-1.18,)|

BDBM516923

C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2cccc(C)c2Cl)[C@@H]1N |r,wD:26.30,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-3.32,-1,;-4.65,-1.77,;-1.98,-1.77,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;4.76,-2.68,;5.08,-1.18,)|

BDBM516925

C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2cccc(c2Cl)C(F)(F)F)[C@@H]1N |r,wD:29.33,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-3.32,-1,;-4.65,-1.77,;-1.98,-1.77,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-5.99,3.62,;-4.65,2.85,;-3.32,3.62,;-5.99,5.16,;-7.32,5.93,;-4.65,5.93,;-4.65,4.39,;4.76,-2.68,;5.08,-1.18,)|

BDBM516927

C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2ccc(Oc3ccccc3)cc2)[C@@H]1N |r|

BDBM516929

C[C@@H]1OCC2(CCN(CC2)c2cc(=O)n(c(C)n2)-c2ccc(Oc3ccn(C)n3)c(Cl)c2Cl)[C@@H]1N |r,wD:33.38,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-.65,.54,;-1.98,1.31,;-1.98,2.85,;-3.32,.54,;-3.32,-1,;-4.65,-1.77,;-1.98,-1.77,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-8.65,3.62,;-9.99,2.85,;-10.15,1.32,;-11.65,1,;-12.42,2.33,;-13.96,2.49,;-11.39,3.48,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;4.76,-2.68,;5.08,-1.18,)|

BDBM516931

Cc3nc(N1CCC2(CC1)CO[C@@H](C)[C@H]2N)c(Cl)c(=O)n3c4ccnc(Cl)c4Cl

BDBM516932

C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc(Cc4ccn(C)n4)c(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wD:34.39,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-1.98,-1.77,;-3.32,-1,;-4.65,-1.77,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-8.65,3.62,;-9.99,2.85,;-10.15,1.32,;-11.65,1,;-12.42,2.33,;-13.96,2.49,;-11.39,3.48,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-1.98,1.31,;-1.98,2.85,;-.65,.54,;.68,1.31,;4.76,-2.68,;5.08,-1.18,)|

BDBM516934

CNC(=O)c1ccc(Oc2ccc(c(Cl)c2Cl)-n2c(C)nc(N3CCC4(CO[C@@H](C)[C@H]4N)CC3)c(C)c2=O)cc1 |r,wD:30.32,28.29,(-15.32,-1.77,;-13.99,-1,;-13.99,.54,;-15.32,1.31,;-12.65,1.31,;-12.65,2.85,;-11.32,3.62,;-9.99,2.85,;-8.65,3.62,;-7.32,2.85,;-7.32,1.31,;-5.99,.54,;-4.65,1.31,;-4.65,2.85,;-3.32,3.62,;-5.99,3.62,;-5.99,5.16,;-3.32,.54,;-3.32,-1,;-4.65,-1.77,;-1.98,-1.77,;-.65,-1,;.68,-1.77,;.68,-3.31,;2.02,-4.08,;3.35,-3.31,;3.51,-4.84,;5.02,-5.16,;5.79,-3.83,;7.32,-3.67,;4.76,-2.68,;5.08,-1.18,;3.35,-1.77,;2.02,-1,;-.65,.54,;.68,1.31,;-1.98,1.31,;-1.98,2.85,;-9.99,1.31,;-11.32,.54,)|

BDBM516935

C[C@@H]1OCC2(CCN(CC2)c2nc(C)n(-c3ccc(Oc4cc[nH]n4)c(Cl)c3Cl)c(=O)c2C)[C@@H]1N |r,wD:33.38,1.0,(7.32,-3.67,;5.79,-3.83,;5.02,-5.16,;3.51,-4.84,;3.35,-3.31,;2.02,-4.08,;.68,-3.31,;.68,-1.77,;2.02,-1,;3.35,-1.77,;-.65,-1,;-1.98,-1.77,;-3.32,-1,;-4.65,-1.77,;-3.32,.54,;-4.65,1.31,;-5.99,.54,;-7.32,1.31,;-7.32,2.85,;-8.65,3.62,;-9.99,2.85,;-10.15,1.32,;-11.65,1,;-12.42,2.33,;-11.39,3.48,;-5.99,3.62,;-5.99,5.16,;-4.65,2.85,;-3.32,3.62,;-1.98,1.31,;-1.98,2.85,;-.65,.54,;.68,1.31,;4.76,-2.68,;5.08,-1.18,)|

BDBM576022

CC1(CN)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl

BDBM576073

OCC1(O)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccccc1Cl

BDBM576074

N[C@@H]1[C@H](F)CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1cccc(Cl)c1Cl |r|

BDBM576090

C[C@@H](N)C1(C)CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|

BDBM576110

N[C@@H]1CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|

BDBM576111

N[C@H]1CCC11CCN(CC1)c1cnc2c(n[nH]c2n1)-c1ccnc(N)c1Cl |r|

BDBM714655

Nc1ccc(NC(=O)c2cc(-c3ccc(/C=C4Sc5ccccc5C4=O)o3)ccc2O)cc1

BDBM714656

O=C(Nc1ccccc1)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1O

BDBM714657

O=C1CCC/C1=Cc1ccc(-c2ccc(O)c(C(=O)Nc3ccccc3)c2)o1

BDBM714658

N/N=C(N)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1O

BDBM714659

N#Cc1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1O

BDBM714660

O=C1CCC/C1=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1

BDBM714661

O=C(O)c1cc(-c2ccc(/C=C3Oc4ccccc4C3=O)o2)ccc1O

BDBM714662

Nc1cccc(NC(=O)c2cc(-c3ccc(/C=C4Sc5ccccc5C4=O)o3)ccc2O)c1

BDBM714663

O=C(O)c1cc(-c2ccc(/C=C3Cc4ccccc4C3=O)o2)ccc1O

BDBM50564157

OC(=O)c1cc(ccc1O)-c1ccc(\C=C2/Sc3ccccc3C2=O)o1

BDBM714665

O=C(NNc1ccccc1)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1O

BDBM714666

O=C1/C(=C/c2ccc(-c3ccc(O)c(C(=O)N4CCCCC4)c3)o2)Sc2ccccc21

BDBM714667

CC(C)NC(=O)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1O

BDBM714668

O=C1CCCC/C1=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1

BDBM714669

O=C(Nc1ccccc1)c1cccc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)c1

BDBM714670

O=C(NCc1ccccc1)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1O

BDBM714671

O=C1/C(=C/c2ccc(-c3ccc(O)cc3)o2)Sc2ccccc21

BDBM714672

COc1ccc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)cc1C(=O)Nc1ccccc1

BDBM714673

O=C1/C(=C/c2ccc(-c3ccc(O)c(C(=O)N4CCNCC4)c3)o2)Sc2ccccc21

BDBM714674

CC(C)NC(=O)c1cccc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)c1

BDBM714675

O=C(Nc1ccccc1)c1cc(-c2ccco2)ccc1O

BDBM714676

O=C(NCCO)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1O

BDBM714677

CN1CCN(C(=O)c2cc(-c3ccc(/C=C4Sc5ccccc5C4=O)o3)ccc2O)CC1

BDBM714678

O=C(Nc1ccccc1)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1F

BDBM714679

O=C1/C(=C/c2ccc(-c3ccccc3)o2)Sc2ccccc21

BDBM714680

CC(C)NC(=O)c1cc(-c2ccc(/C=C3Oc4ccccc4C3=O)o2)ccc1O

BDBM714681

C/C=C1CC/C(=Cc2ccc(-c3ccc(O)c(C(=O)O)c3)o2)C1=O

BDBM714682

O=C(O)c1ccc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)cc1

BDBM714683

O=C(Nc1ccccc1)c1cc(F)cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)c1

BDBM714684

O=C(O)c1cccc(-c2cccc(/C=C3Sc4ccccc4C3=O)c2)c1

BDBM714685

O=C(O)c1cccc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)c1

BDBM714686

O=C(O)c1cc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)ccc1F

BDBM714687

COc1cccc(NC(=O)c2cccc(-c3ccc(/C=C4Sc5ccccc5C4=O)o3)c2)c1

BDBM714688

O=C(O)c1cccc(-c2ccc(/C=C3Cc4ccccc4C3=O)o2)c1

BDBM714689

COc1ccc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)cc1C(=O)O

BDBM714690

O=C1CCC/C1=Cc1ccc(-c2cccc(C(=O)O)c2)o1

BDBM714691

O=C(/C=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1)c1ccccc1

BDBM714692

O=C(Nc1ccc2ccccc2n1)c1cccc(-c2ccc(/C=C3Sc4ccccc4C3=O)o2)c1

BDBM714693

O=C1NC(=O)/C(=C/c2ccc(-c3cccc(C(=O)Nc4ccccc4)c3)o2)S1

BDBM714694

O=C1/C(=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)CCC/C1=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1

BDBM714695

O=C(/C=C/c1ccc(-c2cccc(C(=O)O)c2)o1)/C=C/c1ccc(-c2cccc(C(=O)O)c2)o1

BDBM714696

O=C1/C(=C/c2ccc(-c3cccc(C(=O)O)c3)o2)CC/C1=Cc1ccc(-c2cccc(C(=O)O)c2)o1

BDBM714697

O=C(/C=C/c1ccc(-c2ccc(O)c(C(=O)O)c2)o1)c1cccc(C(=O)/C=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)c1

BDBM714698

O=C1/C(=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)CC/C1=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1

BDBM714699

O=C(O)c1cccc(-c2ccc(/C=C/C(=O)c3cccc(C(=O)/C=C/c4ccc(-c5cccc(C(=O)O)c5)o4)c3)o2)c1

BDBM714700

N#Cc1cccc(-c2ccc(/C=C/C(=O)/C=C/c3ccc(-c4cccc(C#N)c4)o3)o2)c1

BDBM714701

O=C1/C(=C/c2ccc(O)c(C(=O)O)c2)CC/C1=Cc1ccc(O)c(C(=O)O)c1

BDBM714702

O=C(/C=C/c1ccc(Br)o1)c1cccc(C(=O)/C=C/c2ccc(Br)o2)c1