SMILES for Glutamate receptor 1

542 SMILES Strings for Glutamate receptor 1

Compound Name

SMILES String

BDBM50168962

OC(=O)[C@@H]1C[C@H]2C[C@@H](Cc3ccc(cc3)C(O)=O)CC[C@H]2CN1

BDBM86754

OC(=O)C1CC(F)(F)CN1C[C@H]1CC[C@H]2CN[C@@H](C[C@H]2C1)C(O)=O |r|

BDBM213888

c1ccc-2c(c1)NC(=O)c3n2c(nn3)S

BDBM426062

CC(=O)N1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc(O)cc1

BDBM426063

Cc1cc(O)ccc1-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(F)cc1 |(-3.64,-2.91,;-2.16,-3.3,;-1.76,-4.79,;-.27,-5.19,;.13,-6.68,;.82,-4.1,;.42,-2.61,;-1.07,-2.22,;-1.47,-.73,;-.56,.52,;-1.47,1.76,;-2.93,1.29,;-4.26,2.06,;-5.6,1.29,;-5.6,-.25,;-4.26,-1.02,;-2.93,-.25,;-4.26,3.6,;-2.93,4.37,;-2.93,5.91,;-4.26,6.68,;-5.6,5.91,;-5.6,4.37,;.98,.52,;1.75,-.82,;3.29,-.82,;4.06,.52,;5.6,.52,;3.29,1.85,;1.75,1.85,)|

BDBM426064

CC(C)(C)OC(=O)N1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc(O)cc1

BDBM426065

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)-c1cccc(F)c1

BDBM426066

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCNCC1)-c1ccc(F)cc1

BDBM426067

CN1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc(O)cc1

BDBM426068

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CC2(COC2)C1)-c1ccc(F)cc1

BDBM426069

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1

BDBM426070

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCCCC1)-c1ccc(F)cc1

BDBM426071

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]ncc2c1)N1CCOCC1

BDBM426072

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1

BDBM426073

CC(=O)N1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426074

CC(=O)N1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2[nH]ncc2c1

BDBM426075

CC(=O)N1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2[nH]c(=O)[nH]c2c1

BDBM426076

Oc1ccc(cc1)-c1c(Cc2ccccc2)nc2c(nccn12)N1CCOCC1

BDBM426077

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]ccc2c1)N1CCOCC1

BDBM426078

CC(=O)N1CCN(CC1)c1nccn2c(c(Cc3ccccc3)nc12)-c1ccc2NC(=O)Cc2c1

BDBM426079

CC(=O)N1CCN(CC1)c1nccn2c(c(Cc3ccccc3)nc12)-c1ccc2[nH]ncc2c1

BDBM426080

CC(=O)N1CCN(CC1)c1nccn2c(c(Cc3ccccc3)nc12)-c1ccc2[nH]c(=O)[nH]c2c1

BDBM426081

O=C1Cc2cc(ccc2N1)-c1c(Cc2ccccc2)nc2c(nccn12)N1CCOCC1

BDBM426082

C(c1nc2c(nccn2c1-c1ccc2[nH]ncc2c1)N1CCOCC1)c1ccccc1

BDBM426083

O=c1[nH]c2ccc(cc2[nH]1)-c1c(Cc2ccccc2)nc2c(nccn12)N1CCOCC1

BDBM426084

CC(=O)N1CCN(CC1)c1nccn2c(c(Cc3ccccc3)nc12)-c1ccc(O)cc1

BDBM426085

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CC2(COC2)C1

BDBM426086

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]ncc2c1)N1CC2(COC2)C1

BDBM426087

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]c(=O)[nH]c2c1)N1CC2(COC2)C1

BDBM426088

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCNC(=O)C1)-c1ccc(F)cc1

BDBM426089

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCC(F)(F)CC1)-c1ccc(F)cc1

BDBM426090

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCCC(F)(F)C1)-c1ccc(F)cc1

BDBM426091

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]nnc2c1)N1CCOCC1

BDBM426092

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]cnc2c1)N1CCOCC1

BDBM426093

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCNC(=O)C1

BDBM426094

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]ncc2c1)N1CCNC(=O)C1

BDBM426095

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]c(=O)[nH]c2c1)N1CCNC(=O)C1

BDBM426096

Fc1ccc(cc1F)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1

BDBM426097

CC(C)(C)OC(=O)N1CCN(CC1)c1nccn2c(c(Cc3ccccc3)nc12)-c1ccc2NC(=O)Cc2c1

BDBM426098

OC1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426099

O=C1Cc2cc(ccc2N1)-c1c(Cc2ccccc2)nc2c(nccn12)N1CCNC(=O)C1

BDBM426100

CC1COCCN1c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426101

Fc1ccc(cc1)-c1nc2c(NC3CCNC3=O)nccn2c1-c1ccc2NC(=O)Cc2c1

BDBM426102

OC1CCN(C1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426103

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCOC(C1)C(F)(F)F

BDBM426104

C[C@H]1COCCN1c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 |r|

BDBM426105

C[C@@H]1COCCN1c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 |r|

BDBM426106

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCCC1

BDBM426107

CN(C1CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426108

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCS(=O)(=O)CC1

BDBM426109

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCO[C@H](C1)C(F)(F)F |r|

BDBM426110

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCO[C@@H](C1)C(F)(F)F |r|

BDBM426111

CC1(C)COCCN1c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426112

CCN(CC)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426113

O[C@@H]1CCN(C1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 |r|

BDBM426114

O[C@H]1CCN(C1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 |r|

BDBM426115

OC1CCCN(C1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426116

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCC2(CC1)OCCO2

BDBM426117

O=C1Cc2cc(ccc2N1)-c1c(nc2c(nccn12)N1CCOCC1)C1CCCCC1

BDBM426118

O=C1Cc2cc(ccc2N1)-c1c(nc2c(nccn12)N1CCOCC1)C1CCCC1

BDBM426119

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCC1

BDBM426120

FC1CN(C1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426121

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CC(F)(F)C1

BDBM426122

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CC(Cl)C1

BDBM426123

CS(=O)(=O)C1CN(C1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426125

OCC1CN(C1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426126

O=C1Cc2cc(ccc2N1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccccc1

BDBM426127

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CC(C1)C#N

BDBM426128

CC1(O)CN(C1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426129

CC1(O)CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426130

OC1(CN(C1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1)C(F)(F)F

BDBM426131

O[C@@H]1CCN(C[C@H]1F)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 |r|

BDBM426132

OC1CCN(CC1(F)F)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426133

COC1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426134

O[C@H]1CCN(C[C@H]1F)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 |r|

BDBM426135

FC1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426136

FC1CCN(CC1)c1nccn2c(c(nc12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426137

FCC1CCN(CC1)c1nccn2c(c(nc12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426138

FCCC1CCN(CC1)c1nccn2c(c(nc12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426139

COC1CN(C1)c1nccn2c(c(nc12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426140

O=C1Cc2cc(ccc2N1)-c1c(nc2c(nccn12)N1CC2CC(C1)O2)-c1ccccc1 |THB:14:19:22:25|

BDBM426141

O=C1Cc2cc(ccc2N1)-c1c(nc2c(nccn12)N1CC2(CC2)C1)-c1ccccc1

BDBM426142

FC1CN(C1)c1nccn2c(c(nc12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426143

Fc1ccc(cc1)-c1nc2c(ncc(Cl)n2c1-c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1

BDBM426144

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(F)cc1

BDBM426145

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccccc1F

BDBM426146

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)C1CCCCC1

BDBM426147

CC(C)(C)c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1

BDBM426148

Nc1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2[nH]c(=O)[nH]c2c1

BDBM426149

CC(C)(C)c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCC(O)CC1

BDBM426150

FC1CN(C1)c1nccn2c(c(nc12)-c1ccncc1)-c1ccc2NC(=O)Cc2c1

BDBM426151

O=C1Cc2cc(ccc2N1)-c1c(nc2c(nccn12)N1CCOCC1)C1CCC1

BDBM426152

O=C1Cc2cc(ccc2N1)-c1c(nc2c(nccn12)N1CCOCC1)C1CC1

BDBM426153

CC(=O)N1CCCN(CC1)c1nccn2c(c(nc12)-c1ccc(Cl)cc1)-c1ccc(O)cc1

BDBM426154

CC(=O)NC1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(Cl)cc1)-c1ccc(O)cc1

BDBM426155

CC(=O)N1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(Cl)cc1)-c1ccc(O)cc1

BDBM426156

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(cc1)C#N

BDBM426157

Oc1ccc(cc1)-c1c(Cc2cccc(F)c2)nc2c(nccn12)N1CCOCC1

BDBM426158

N#Cc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]ncc2c1)N1CCOCC1

BDBM426159

CC(=O)N[C@H]1CCN(C1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2[nH]c(=O)[nH]c2c1 |r|

BDBM426160

COc1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2[nH]c(=O)[nH]c2c1

BDBM426161

CC(=O)N[C@@H]1CCN(C1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2[nH]c(=O)[nH]c2c1 |r|

BDBM426162

CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2[nH]c(=O)[nH]c2c1

BDBM426163

O=C1Cc2cc(ccc2N1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(cc1)C#N

BDBM426164

CC(=O)N1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(cc1)C#N)-c1ccc2[nH]ncc2c1

BDBM426165

CNc1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2[nH]c(=O)[nH]c2c1

BDBM426166

O=c1[nH]c2ccc(cc2[nH]1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(cc1)C#N

BDBM426167

CC(=O)N1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(cc1)C#N)-c1ccc2[nH]c(=O)[nH]c2c1

BDBM426168

CC(=O)N1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(cc1)C#N)-c1ccc2NC(=O)Cc2c1

BDBM426169

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NS(=O)(=O)Cc2c1)N1CC2(COC2)C1

BDBM426170

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCC(=O)CC1

BDBM426171

CN1CCN(CC1=O)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426172

CC1N(CCN(C)C1=O)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426173

CC(C)(C)OC(=O)N1CCN(CC1)c1ncc(Br)n2c(c(Cc3ccccc3)nc12)-c1ccc2NC(=O)Cc2c1

BDBM426174

CC(=O)N1CCN(CC1)c1ncc(Br)n2c(c(Cc3ccccc3)nc12)-c1ccc2NC(=O)Cc2c1

BDBM426175

CC(=O)N1CCN(CC1)c1ncc(C)n2c(c(Cc3ccccc3)nc12)-c1ccc2NC(=O)Cc2c1

BDBM426176

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]c(=O)oc2c1)N1CCOCC1

BDBM426177

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NS(=O)(=O)Cc2c1)N1CCOCC1

BDBM426178

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]c(=O)sc2c1)N1CCOCC1

BDBM426179

OC1CCN(CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NS(=O)(=O)Cc2c1

BDBM426180

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)NCc2c1)N1CCOCC1

BDBM426181

Nc1nc2cc(ccc2[nH]1)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(F)cc1

BDBM426182

Fc1c[nH]c2ccc(cc12)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(F)cc1

BDBM426183

FC1C(=O)Nc2ccc(cc12)-c1c(nc2c(nccn12)N1CCOCC1)-c1ccc(F)cc1

BDBM426184

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)OCc2c1)N1CCOCC1

BDBM426185

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2[nH]c(=O)ccc2c1)N1CCOCC1

BDBM426186

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCCC1)-c1ccc(F)cc1

BDBM426187

CS(=O)(=O)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426188

CS(=O)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426189

CC(C)Oc1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426190

CC(=O)N1CCC(=CC1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc(O)cc1 |c:6|

BDBM426191

O=C1Cc2cc(ccc2N1)-c1c(nc2c(nccn12)C1=CCOCC1)-c1ccccc1 |t:23|

BDBM426192

Fc1ccc(cc1)-c1nc2c(F)nccn2c1-c1ccc2NC(=O)Cc2c1

BDBM426193

Cc1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426194

O=C1Cc2cc(ccc2N1)-c1c(nc2cnccn12)-c1ccccc1

BDBM426195

Fc1ccc(cc1)-c1nc2cnccn2c1-c1ccc2NC(=O)Cc2c1

BDBM426196

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)C(F)(F)c2c1)N1CCOCC1

BDBM426197

O=C(Nc1ccccc1)c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1

BDBM426198

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)C(=O)Nc1ccccc1

BDBM426199

O=C(NCc1ccccc1)c1nc2c(nccn2c1-c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1

BDBM426200

O=C(Nc1ccccc1)c1nc2c(nccn2c1-c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1

BDBM426201

CN(C)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426202

O=C(NCc1ccccc1)c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1

BDBM426203

O=C(Nc1ccccc1)c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCNC(=O)C1

BDBM426204

CN(C)c1nccn2c(c(nc12)C(=O)Nc1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426205

CN(C(=O)c1nc2c(nccn2c1-c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1)c1ccccc1

BDBM426206

O=C(NC1CC1)c1nc2c(nccn2c1-c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1

BDBM426207

O=C(Nc1ccncc1)c1nc2c(nccn2c1-c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1

BDBM426208

CCCNC(=O)c1nc2c(nccn2c1-c1ccc(O)cc1)N1CCOCC1

BDBM426209

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)C(=O)c1ccc(F)cc1

BDBM426210

CC(=O)N[C@@H]1CCN(C1)c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1 |r|

BDBM426211

Oc1ccc(cc1)-c1c(nc2c(nccn12)N1CCOCC1)C(=O)c1ccccc1

BDBM426212

CN(C)c1nccn2c(c(nc12)C(=O)c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426213

O=C(c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1)c1ccccc1

BDBM426214

OC1CCN(CC1)c1nccn2c(c(nc12)C(=O)c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426215

[#8]\[#7]=[#6]-1/[#6]-[#6]-[#7](-[#6]-[#6]-1)-c1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2-[#7]-[#6](=O)-[#6]-c2c1

BDBM426216

O=C(c1nc2c(nccn2c1-c1ccc2[nH]c(=O)oc2c1)N1CCOCC1)c1ccccc1

BDBM426217

O=C(c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCS(=O)(=O)CC1)c1ccccc1

BDBM426218

CC(=O)N1CCN(CC1)c1nccn2c(c(nc12)C(=O)c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426219

O=C(c1nc2c(nccn2c1-c1ccc2NS(=O)(=O)Cc2c1)N1CCOCC1)c1ccccc1

BDBM426220

CNc1nccn2c(c(nc12)C(=O)c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426221

Fc1ccc(cc1)-c1nc2c(ncc(F)n2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1

BDBM426222

Fc1ccc(cc1)-c1nc2c(ncc(F)n2c1-c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1

BDBM426223

Fc1ccc(cc1)-c1nc2c(ncc(Cl)n2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1

BDBM426224

Fc1ccc(cc1)-c1nn2c(nccc2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1

BDBM426225

CC(C)(C)c1nn2cnccc2c1-c1ccc2NC(=O)Cc2c1

BDBM426226

OC1CCN(CC1)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426227

CNc1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426228

Fc1ccc(cc1)-c1nn2c(nccc2c1-c1ccc2NC(=O)Cc2c1)N1CCNC(=O)C1

BDBM426229

CN(C)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426230

Fc1ccc(cc1)-c1nn2c(nccc2c1-c1ccc2NC(=O)Cc2c1)N1CCS(=O)(=O)CC1

BDBM426231

CNc1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426232

CC(=O)N1CCN(CC1)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426233

Fc1ccc(cc1)-c1nn2c(nccc2c1-c1ccc2[nH]c(=O)oc2c1)N1CCOCC1

BDBM426234

Fc1ccc(cc1)-c1nn2c(nccc2c1-c1ccc2NC(=O)Cc2c1)N1CCC(=O)CC1

BDBM426235

Fc1ccc(cc1)-c1nn2cnccc2c1-c1ccc2NC(=O)Cc2c1

BDBM426236

Fc1ccc(cc1)-c1nn2c(nccc2c1-c1ccc2NC(=O)Cc2c1)N1CC(F)(F)C1

BDBM426237

CC1COCCN1c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426238

Fc1ccc(cc1)-c1nn2c(nccc2c1-c1ccc2NS(=O)(=O)Cc2c1)N1CCOCC1

BDBM426239

OC1CN(C1)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426240

OCC1CN(C1)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426241

CC(C)(C)c1nn2c(nccc2c1-c1ccc2NC(=O)Cc2c1)N1CCC(O)CC1

BDBM426242

CC(C)(C)c1nn2c(nccc2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1

BDBM426243

CC(C)(C)c1nn2c(nccc2c1-c1ccc2NC(=O)Cc2c1)N1CC(F)(F)C1

BDBM426244

CC1(O)CN(C1)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426245

Fc1ccc(cc1)-c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCC2(CC1)N=N2 |c:38|

BDBM426246

CC1(O)CCN(CC1)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426247

OC1CCN(CC1)c1nccc2c(c(nn12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426248

FC1CCN(CC1)c1nccc2c(c(nn12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426249

COC1CCN(CC1)c1nccc2c(c(nn12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426250

FC1CCN(CC1)c1nccc2c(c(nn12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426251

COC1CN(C1)c1nccc2c(c(nn12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426252

O=C1Cc2cc(ccc2N1)-c1c(nn2c(OC3CCCC3)nccc12)-c1ccccc1

BDBM426253

O[C@@H]1CCN(C[C@H]1F)c1nccc2c(c(nn12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1 |r|

BDBM426254

CC(C)Oc1nccc2c(c(nn12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426255

COC1CN(C1)c1nccc2c(c(nn12)C1CCCC1)-c1ccc2NC(=O)Cc2c1

BDBM426256

FC1CN(C1)c1nccc2c(c(nn12)C1CCCC1)-c1ccc2NC(=O)Cc2c1

BDBM426257

CO[C@H]1CCN(C1)c1nccc2c(c(nn12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1 |r|

BDBM426258

Cc1cc2c(c(nn2c(n1)N1CCOCC1)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426259

CC(C)(C)c1nn2c(nccc2c1-c1ccc2NC(=O)Cc2c1)N1CC2(COC2)C1

BDBM426260

FC1CN(C1)c1nccc2c(c(nn12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426261

O=C1Cc2cc(ccc2N1)-c1c(nn2c(nccc12)N1CCOCC1)-c1ccccc1

BDBM426262

CO[C@@H]1CCN(C1)c1nccc2c(c(nn12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1 |r|

BDBM426263

O=C1Cc2cc(ccc2N1)-c1c(nn2c(nccc12)N1CCOCC1)C1CCCC1

BDBM426264

O[C@@H]1CCN(C[C@@H]1F)c1nccc2c(c(nn12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1 |r|

BDBM426265

OC1CN(C1)c1nccc2c(c(nn12)C1CCCC1)-c1ccc2NC(=O)Cc2c1

BDBM426266

COc1nccc2c(c(nn12)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426267

Brc1cnc(N2CCOCC2)n2nc(c(-c3ccc4NC(=O)Cc4c3)c12)-c1ccccc1

BDBM426268

Cc1cnc(N2CCOCC2)n2nc(c(-c3ccc4NC(=O)Cc4c3)c12)-c1ccccc1

BDBM426269

O=C1CN(CCN1)c1nccn2c(c(nc12)-c1ccc(cc1)C#N)-c1ccc2[nH]ncc2c1

BDBM426270

O=C1Cc2cc(ccc2N1)-c1c(nc2c(nccn12)N1CCNC(=O)C1)-c1ccc(cc1)C#N

BDBM426271

O=C1CN(CCN1)c1nccn2c(c(nc12)-c1ccc(cc1)C#N)-c1ccc2[nH]c(=O)[nH]c2c1

BDBM426272

Cc1cnc(N2CCOCC2)n2nc(c(-c3ccc4[nH]ncc4c3)c12)-c1ccccc1

BDBM426273

COC1CCN(CC1)c1nccc2c(c(nn12)-c1ccccc1)-c1ccc2[nH]c(=O)sc2c1

BDBM426274

O=C(NC1CCCCC1)c1nc2c(nccn2c1-c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1

BDBM426275

OC1CCN(CC1)c1nccn2c(c(nc12)-c1ccncc1)-c1ccc2NC(=O)Cc2c1

BDBM426276

FC(F)(F)c1cn2c(c(nc2cn1)C1CC1)-c1ccc2[nH]c(=O)sc2c1

BDBM426278

FC(F)(F)c1cn2c(c(nc2cn1)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426279

FC(F)(F)c1cn2c(c(nc2cn1)C1CC1)-c1ccc2NC(=O)Cc2c1

BDBM426280

CC(C)(C)c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCC(=O)CC1

BDBM426281

O=C(Nc1ccccn1)c1nc2c(nccn2c1-c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1

BDBM426282

FC(F)(F)c1cc2c(c(nn2cn1)-c1ccccc1)-c1ccc2NC(=O)Cc2c1

BDBM426283

FC(F)(F)c1cc2c(c(nn2cn1)-c1ccccc1)-c1ccc2[nH]c(=O)oc2c1

BDBM426284

FC(F)(F)c1cc2c(c(nn2cn1)-c1ccccc1)-c1ccc2[nH]c(=O)sc2c1

BDBM426285

CC(C)(C)c1nn2cnc(cc2c1-c1ccc2NC(=O)Cc2c1)C(F)(F)F

BDBM426286

FC(F)(F)c1cc2c(c(nn2cn1)C1CCC1)-c1ccc2NC(=O)Cc2c1

BDBM426287

CC(C)c1nn2cnc(cc2c1-c1ccc2NC(=O)Cc2c1)C(F)(F)F

BDBM426288

FC(F)(F)c1cc2c(c(nn2cn1)C1CC1)-c1ccc2NC(=O)Cc2c1

BDBM426289

FC(F)(F)c1cc2c(c(nn2cn1)C1CCC1)-c1ccc2[nH]c(=O)sc2c1

BDBM426290

FC(F)(F)c1cc2c(c(nn2cn1)C1CC1)-c1ccc2[nH]c(=O)sc2c1

BDBM426291

CC(C)c1nn2cnc(cc2c1-c1ccc2[nH]c(=O)sc2c1)C(F)(F)F

BDBM426292

CC(C)(C)c1nn2cnc(cc2c1-c1ccc2[nH]c(=O)sc2c1)C(F)(F)F

BDBM426293

C1CN(CCO1)c1nccc2c(c(nn12)-c1ccccc1)-c1ccc2[nH]ncc2c1

BDBM426294

COC1CCN(CC1)c1nccc2c(c(nn12)-c1ccccc1)-c1ccc2[nH]ncc2c1

BDBM426295

CC(C)c1nn2c(ncc(F)c2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1

BDBM426296

CC(C)c1nn2c(ncc(F)c2c1-c1ccc2[nH]ncc2c1)N1CCOCC1

BDBM426297

COC1CCN(CC1)c1nccc2c(c(nn12)C(C)C)-c1ccc2[nH]ncc2c1

BDBM426298

CC(C)c1nn2c(nccc2c1-c1ccc2[nH]ncc2c1)N1CCOCC1

BDBM426299

CC(C)c1nn2c(ncc(C)c2c1-c1ccc2[nH]ncc2c1)N1CCOCC1

BDBM426300

CC(C)c1nn2c(nccc2c1-c1ccc2[nH]c(=O)sc2c1)N1CCOCC1

BDBM426301

COC1CCN(CC1)c1nccc2c(c(nn12)C(C)C)-c1ccc2[nH]c(=O)sc2c1

BDBM426302

O=c1[nH]c2ccc(cc2s1)-c1c(nn2c(nccc12)N1CCOCC1)-c1ccccc1

BDBM426303

CC(C)c1nn2c(ncc(C)c2c1-c1ccc2[nH]c(=O)sc2c1)N1CCOCC1

BDBM426304

CC(C)c1nn2c(ncc(C)c2c1-c1ccc2NC(=O)Cc2c1)N1CCOCC1

BDBM426305

FC(F)(F)c1cn2c(c(nc2cn1)-c1ccccc1)-c1ccc2[nH]c(=O)sc2c1

BDBM426306

O=C(c1nc2c(nccn2c1-c1ccc2NC(=O)Cc2c1)N1CCNC(=O)C1)c1ccccc1

BDBM426307

COc1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426308

Nc1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2NC(=O)Cc2c1

BDBM426309

Oc1nccn2c(c(nc12)-c1ccc(F)cc1)-c1ccc2[nH]c(=O)[nH]c2c1

BDBM50031703

C[C@@H](C[C@H](N)C(O)=O)C(O)=O

BDBM50031702

C[C@@H](C[C@@H](N)C(O)=O)C(O)=O

BDBM50031705

C[C@H](C[C@@H](N)C(O)=O)C(O)=O

BDBM50031704

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

BDBM50018843

C[N+](C)(CCCC[C@H](N)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12)CCCNC(=O)[C@@H](N)CCCNC(N)=N |r|

BDBM50018844

CN(CCCC[C@H](N)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12)CCCNC(=O)[C@@H](N)CCCNC(N)=N |r|

BDBM50018845

NCCCNCCCCNCCCNCCCN(O)CCCNC(=O)Cc1c[nH]c2ccccc12

BDBM50018846

N[C@@H](CCCCNCCCNC(=O)[C@@H](N)CCCNC(N)=N)C(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12 |r|

BDBM50002369

CC(=C)[C@H]1CN[C@@H]([C@H]1CC(=O)O)C(=O)O

BDBM50088216

COc1ccccc1\C=C\C[C@H](C[C@H](N)C(O)=O)C(O)=O

BDBM50088197

N[C@@H](C[C@@H](C\C=C\c1ccc(Cl)cc1)C(O)=O)C(O)=O

BDBM50107595

C1CC2=C(C1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N

BDBM50122079

CCCC(=O)NC(Cc1ccc(O)cc1)C(O)NCCCNCCCCCCCCN

BDBM50122078

CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCCCNCCCCN

BDBM50122080

CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCCNCCCCCN

BDBM50122077

CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCNCCCCCCN

BDBM50122081

CC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCCCCNCCCN

BDBM50122083

NCCCNCCCCCCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)CCc1ccccc1

BDBM50122084

NCCCNCCCCCCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccncc1

BDBM50122085

NCCCNCCCCCCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)c1cccnc1

BDBM50122086

CC(C)(C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCCCCNCCCN

BDBM50122087

NCCCNCCCCCCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCCC1

BDBM50122088

CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN

BDBM50122089

NCCCNCCCCCCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1

BDBM50122091

NCCCNCCCCCCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)\C=C\c1ccccc1

BDBM50122082

CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCCCCCNCCN

BDBM50122090

CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCCCCNCCCN

BDBM50122092

NCCCNCCCCCCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)Cc1ccccc1

BDBM50122093

CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCNCCCCCCCN

BDBM50122094

NCCCNCCCCCCCCNC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccn1

BDBM50122095

CCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCCCCNCCCN

BDBM50122096

CCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCCCCNCCCN

BDBM50126763

CC(C)(C)c1o[nH]c(=O)c1C[C@H](N)C(O)=O

BDBM50126761

CC(C)(C)c1s[nH]c(=O)c1C[C@H](N)C(O)=O

BDBM50126764

N[C@@H](CC1=CCCCc2o[nH]c(=O)c12)C(O)=O |t:3|

BDBM50128264

NC(Cc1o[nH]c(=O)c1Cl)C(O)=O

BDBM50002370

Cc1o[nH]c(=O)c1CC(N)C(O)=O

BDBM50017244

NC(Cc1o[nH]c(=O)c1Br)C(O)=O

BDBM50137125

OC(=O)c1ccc(Cl)cc1NC(=O)Nc1cccc(Br)c1

BDBM50137124

OC(=O)c1ccc(Cl)cc1NC(=O)Nc1ccc2ccccc2c1

BDBM50158556

Clc1ccc(-c2nnn[nH]2)c(NC(=O)Nc2cccc(Br)c2)c1

BDBM50158555

Clc1ccc(-c2nc(=O)o[nH]2)c(NC(=O)Nc2cccc(Br)c2)c1

BDBM50158554

OC(=O)Cc1ccc(Cl)cc1NC(=O)Nc1cccc(Br)c1

BDBM50158561

OS(=O)(=O)c1ccc(Cl)cc1NC(=O)Nc1cccc(Br)c1

BDBM50166286

CCn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O

BDBM50166285

CCCn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O

BDBM17662

Cc1o[nH]c(=O)c1C[C@H](N)C(O)=O

BDBM50166287

CC(C)n1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O

BDBM50166288

Cn1nnc(n1)-c1o[nH]c(=O)c1C[C@H](N)C(O)=O

BDBM50207594

c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2NC(=O)C(=O)N3)[N+](=O)[O-]

BDBM50194107

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCNCCCCCCN

BDBM50194109

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCNCCCCCCCCN

BDBM50194110

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCNCCCCN

BDBM50194111

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCNCCCCCCCCCCN

BDBM50194112

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCNCCCCCCCCCCCCN

BDBM50194115

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCNCCN

BDBM50194118

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCNCCCN

BDBM50194117

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCNCCCCCCCCCN

BDBM50194120

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCNCCCCCCN

BDBM50194121

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCNCCN

BDBM50194123

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCNCCCCCN

BDBM50194119

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCNCCCCCCCN

BDBM50194113

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCNCCCCN

BDBM50194126

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCNCCCCCCN

BDBM50194125

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCCCCCN

BDBM50194116

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCCCN

BDBM50194127

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCNCCCCCCCN

BDBM50194124

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCNCCCCCCN

BDBM50194114

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCNCCCCCCN

BDBM50194122

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCNCCCN

BDBM50194128

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCNCCCCCN

BDBM50194129

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCNCCCCCCN

BDBM50194108

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCNCCCCCCN

BDBM50211399

NC(Cc1c(o[nH]c1=O)-c1nnn(Cc2ccccc2)n1)C(O)=O

BDBM50304101

NC(Cc1cc(Cl)c(Cl)c(c1)-c1cccc(O)c1)C(O)=O

BDBM50142614

N[C@@H](Cc1cc(Cl)c(Cl)c(c1)-c1cncc(O)c1)C(O)=O |r|

BDBM50142615

N[C@H](Cc1cc(Cl)c(Cl)c(c1)-c1cncc(O)c1)C(O)=O |r|

BDBM50142617

N[C@@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O |r|

BDBM50142618

N[C@H](Cc1cccc(c1)-c1cccc(O)c1)C(O)=O |r|

BDBM50288204

OC(=O)C[C@H]1CN[C@@H]1C(O)=O

BDBM50159745

NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r|

BDBM50159746

CNCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r|

BDBM50159748

CCNCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r|

BDBM50159750

CC(C)NCc1cccc(Cn2nnc(n2)-c2onc(O)c2C[C@H](N)C(O)=O)c1 |r|

BDBM50159752

N[C@@H](Cc1c(O)noc1-c1nnn(Cc2ccncc2)n1)C(O)=O |r|

BDBM17657

C(CC(=O)O)[C@@H](C(=O)O)N

BDBM26431

N[C@H](CCC(O)=O)C(O)=O

BDBM50184410

c1ccc(cc1)N2C=C(C=C(C2=O)c3ccccc3C#N)c4ccccn4

BDBM50184411

CN(c1nc(cs1)-c1ccccn1)c1ccc(O)cc1

BDBM50184412

CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]ncc2c1

BDBM50184413

CN(c1ccn(n1)-c1ccccn1)c1ccc2[nH]ncc2c1

BDBM50184414

CN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1

BDBM50184415

CC(c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1

BDBM50184416

C[C@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1 |r|

BDBM50184417

C[C@@H](c1ccn(n1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1 |r|

BDBM50184418

Cn1ccc(CN(c2nc(cs2)-c2ccccn2)c2ccc3[nH]ncc3c2)n1

BDBM50184419

C[C@H](c1ccn(n1)-c1ccc(F)cn1)c1ccc2[nH]c(=O)sc2c1 |r|

BDBM50184441

C[C@H](c1ccn(n1)-c1ccc(CCC(C)(C)O)cn1)c1ccc2[nH]c(=O)sc2c1 |r|

BDBM50184442

C[C@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1 |r|

BDBM50184443

C[C@@H](c1ccn(n1)-c1ccc(CCO)cn1)c1ccc2[nH]c(=O)sc2c1 |r|

BDBM50184444

C[C@H](c1ccn(n1)-c1ccc(OCCO)cn1)c1ccc2[nH]c(=O)sc2c1 |r|

BDBM50184445

C[C@@H](c1ccn(n1)-c1ccc(OCCO)cn1)c1ccc2[nH]c(=O)sc2c1 |r|

BDBM50184446

CCOCCN(c1nc(cs1)-c1ccccn1)c1ccc2[nH]c(=O)sc2c1

BDBM50048386

CNC(=O)N1N=C(c2ccc(N)cc2)c2cc3OCOc3cc2CC1C |t:5|

BDBM50105843

NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O

BDBM50316373

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

BDBM50316374

NCCCNCCCCNCCCNC(=O)CCc1ccccc1

BDBM50094298

CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN

BDBM50002368

Cc1c(c(no1)C(=O)O)CC(C(=O)O)N

BDBM50316376

Cc1onc(C(O)=O)c1C[C@H](N)C(O)=O |r|

BDBM50060635

C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)F

BDBM50316377

NC(Cc1ccc(=O)[nH][n+]1[O-])C(O)=O

BDBM50192229

c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N[C@H](N2)[C@H]3C[C@@H]4C[C@H]3C=C4

BDBM50316375

CC(C)S(=O)(=O)NCC(C)C1CCC(CC1)c1ccc(cc1)C#N |(35.08,-18.3,;35.1,-19.84,;36.44,-20.59,;33.78,-20.62,;32.99,-21.94,;34.53,-21.94,;32.44,-19.86,;31.11,-20.63,;29.77,-19.86,;29.77,-18.32,;28.44,-20.63,;28.44,-22.17,;27.12,-22.94,;25.78,-22.17,;25.77,-20.64,;27.1,-19.86,;24.45,-22.95,;23.11,-22.18,;21.79,-22.95,;21.79,-24.5,;23.12,-25.27,;24.46,-24.5,;20.45,-25.27,;19.11,-26.03,)|

BDBM86751

OC(=O)[C@@H]1C[C@H]2C[C@@H](CCc3nnn[nH]3)CC[C@H]2CN1

BDBM50324455

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccccc2c1=O

BDBM50324456

OC(=O)c1cccc(c1)-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccccc2c1=O

BDBM50324457

OC(=O)c1ccccc1-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccccc2c1=O |(11.65,-9.49,;13.19,-9.48,;13.95,-8.15,;13.97,-10.83,;15.3,-10.06,;16.64,-10.83,;16.63,-12.37,;15.3,-13.14,;13.97,-12.36,;12.63,-13.12,;12.63,-14.68,;13.96,-15.45,;13.96,-16.99,;15.29,-17.76,;15.28,-19.3,;16.61,-20.07,;17.94,-19.31,;17.94,-17.76,;16.61,-16.99,;19.28,-20.08,;19.28,-21.62,;20.62,-19.32,;11.28,-15.45,;9.94,-14.68,;8.61,-15.44,;7.28,-14.67,;7.28,-13.12,;8.61,-12.35,;9.95,-13.12,;11.29,-12.34,;11.29,-10.8,)|

BDBM50324459

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O

BDBM50324458

OC(=O)c1cccc(c1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O

BDBM50324460

OC(=O)c1ccccc1-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O |(15.04,-25.16,;14.28,-26.5,;12.73,-26.51,;15.07,-27.84,;16.39,-27.06,;17.73,-27.83,;17.74,-29.37,;16.41,-30.14,;15.07,-29.37,;13.75,-30.15,;13.75,-31.7,;15.09,-32.47,;15.09,-34.01,;16.43,-34.78,;16.42,-36.31,;17.76,-37.08,;19.09,-36.3,;19.08,-34.75,;17.74,-34,;20.41,-33.97,;21.75,-34.74,;20.4,-32.43,;12.41,-32.48,;11.06,-31.71,;9.73,-32.48,;8.4,-31.71,;8.4,-30.16,;9.73,-29.4,;11.06,-30.16,;12.39,-29.37,;12.38,-27.83,)|

BDBM50324452

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

BDBM50324453

OC(=O)c1cccc(c1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

BDBM50324454

[O-][N+](=O)c1cccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)c1

BDBM50324461

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccccc2[N+]([O-])=O)nc2ccccc2c1=O

BDBM50324463

OC(=O)c1cccc(c1)-n1c(\C=C\c2ccccc2[N+]([O-])=O)nc2ccccc2c1=O

BDBM50324462

COc1ccc(cc1)-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccccc2c1=O

BDBM50324465

COc1cccc(c1)-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccccc2c1=O

BDBM50324464

COc1ccccc1-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccccc2c1=O |(25.66,-18.48,;25.66,-20.02,;27,-20.79,;28.33,-20.02,;29.66,-20.79,;29.66,-22.34,;28.33,-23.1,;27,-22.32,;25.66,-23.08,;25.66,-24.64,;26.99,-25.42,;26.99,-26.96,;28.32,-27.73,;29.64,-26.96,;30.97,-27.73,;30.97,-29.28,;29.63,-30.04,;28.3,-29.27,;32.31,-30.05,;32.31,-31.59,;33.65,-29.28,;24.31,-25.41,;22.97,-24.64,;21.64,-25.4,;20.31,-24.63,;20.31,-23.08,;21.64,-22.31,;22.98,-23.08,;24.31,-22.3,;24.31,-20.76,)|

BDBM50324466

COc1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O

BDBM50324468

COc1cccc(c1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O

BDBM50324467

COc1ccccc1-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O |(25.91,-32.56,;25.91,-34.1,;27.25,-34.87,;28.58,-34.1,;29.91,-34.87,;29.91,-36.42,;28.58,-37.18,;27.25,-36.4,;25.91,-37.16,;25.91,-38.72,;27.24,-39.5,;27.24,-41.04,;28.57,-41.81,;28.55,-43.35,;29.88,-44.12,;31.22,-43.35,;31.22,-41.81,;29.89,-41.04,;32.56,-41.04,;33.89,-41.8,;32.55,-39.49,;24.55,-39.49,;23.22,-38.72,;21.89,-39.48,;20.56,-38.71,;20.56,-37.17,;21.89,-36.39,;23.22,-37.16,;24.56,-36.38,;24.56,-34.84,)|

BDBM50324469

COc1ccc(cc1)-n1c(\C=C\c2ccccc2[N+]([O-])=O)nc2ccccc2c1=O

BDBM50324470

COc1cccc(c1)-n1c(\C=C\c2ccccc2[N+]([O-])=O)nc2ccccc2c1=O

BDBM50324471

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccccc2)nc2ccccc2c1=O

BDBM50324472

COc1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1

BDBM50324380

COc1cccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)c1

BDBM50324381

COc1ccccc1\C=C\c1nc2ccccc2c(=O)n1-c1ccc(cc1)C(O)=O

BDBM50324382

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(cc2)C(F)(F)F)nc2ccccc2c1=O

BDBM50324383

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)C(F)(F)F)nc2ccccc2c1=O

BDBM50324384

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccccc2C(F)(F)F)nc2ccccc2c1=O

BDBM50324385

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(O)cc2)nc2ccccc2c1=O

BDBM50324386

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(O)c2)nc2ccccc2c1=O

BDBM50324387

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccccc2O)nc2ccccc2c1=O

BDBM50324388

Cc1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1

BDBM50324389

Cc1cccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)c1

BDBM50324390

Cc1ccccc1\C=C\c1nc2ccccc2c(=O)n1-c1ccc(cc1)C(O)=O

BDBM50324391

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2cccc(Cl)c2c1=O

BDBM50324392

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(Cl)cc2c1=O

BDBM50324393

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2cc(Cl)ccc2c1=O

BDBM50324394

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2c(Cl)cccc2c1=O

BDBM50324395

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2c(Cl)cc(Cl)cc2c1=O

BDBM50324396

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2c(Cl)cc(Cl)cc2c1=O

BDBM50324397

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(F)cc2c1=O

BDBM50324398

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(Br)cc2c1=O

BDBM50324399

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(I)cc2c1=O

BDBM50324400

Cc1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

BDBM50324401

COc1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

BDBM50324402

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(cc2c1=O)[N+]([O-])=O

BDBM50324403

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(O)cc2c1=O

BDBM50324404

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(cc2c1=O)-c1ccccc1

BDBM50324405

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2cc3ccccc3cc2c1=O

BDBM50324406

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2cc3OCCOc3cc2c1=O

BDBM50324407

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2cc3OCOc3cc2c1=O

BDBM50324408

CC(C)c1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

BDBM50324409

CCCc1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

BDBM50324410

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(cc2c1=O)-c1cccs1

BDBM50324411

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(\C=C\c3ccccc3)cc2c1=O

BDBM50324412

COc1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3ccc(cc3)C#N)c(=O)c2c1

BDBM50324413

COc1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3ccc(cc3)C(N)=O)c(=O)c2c1

BDBM50324414

COC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(OC)cc2c1=O

BDBM50324415

COc1cccc(\C=C\c2nc3ccc(OC)cc3c(=O)n2-c2ccc(cc2)C(O)=O)c1

BDBM50324416

COc1ccc2nc(\C=C\c3cccc(c3)C(O)=O)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

BDBM50324417

COC(=O)c1cccc(\C=C\c2nc3ccc(OC)cc3c(=O)n2-c2ccc(cc2)C(O)=O)c1

BDBM50324418

COC(=O)c1ccc(\C=C\c2nc3ccc(OC)cc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1C(=O)OC

BDBM50324419

CSc1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1

BDBM50324420

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(cc2)C#N)nc2ccccc2c1=O

BDBM83250

CN(C)c1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1

BDBM50324422

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(OC(F)F)cc2)nc2ccccc2c1=O

BDBM50324423

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(OCC=C)cc2)nc2ccccc2c1=O

BDBM50324424

OC(=O)COc1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1

BDBM50324425

OC(=O)c1ccc(\C=C\c2nc3ccccc3c(=O)n2-c2ccc(cc2)C(O)=O)cc1

BDBM50324426

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccc(I)cc2c1=O

BDBM50324427

OC(=O)c1cccc(c1)-n1c(\C=C\c2ccc(cc2)[N+]([O-])=O)nc2ccc(I)cc2c1=O

BDBM50324428

OC(=O)c1cccc(c1)-n1c(\C=C\c2cccc(c2)[N+]([O-])=O)nc2ccc(I)cc2c1=O

BDBM50324429

COc1ccc2nc(\C=C\c3ccc(cc3)[N+]([O-])=O)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

BDBM50324430

COc1ccc2nc(\C=C\c3ccc(cc3)[N+]([O-])=O)n(-c3cccc(c3)C(O)=O)c(=O)c2c1

BDBM50324431

COc1ccc2nc(\C=C\c3cccc(c3)[N+]([O-])=O)n(-c3cccc(c3)C(O)=O)c(=O)c2c1

BDBM50324432

Cc1nc2ccc(I)cc2c(=O)n1-c1ccc(cc1)C(O)=O

BDBM50324433

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccccc2)nc2ccc(I)cc2c1=O

BDBM50324434

Cc1ccc2nc(\C=C\c3ccccc3)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

BDBM50324435

Cc1ccc2nc(CCc3ccccc3)n(-c3ccc(cc3)C(O)=O)c(=O)c2c1

BDBM50324436

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc3ccccc3c2)nc2ccccc2c1=O

BDBM50324437

COc1ccc2cc(\C=C\c3nc4ccccc4c(=O)n3-c3ccc(cc3)C(O)=O)ccc2c1

BDBM50324438

OC(=O)c1ccc(cc1)-n1c(\C=C\c2cccc3ccccc23)nc2ccccc2c1=O

BDBM50324439

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc(cc2)N2CCOCC2)nc2ccccc2c1=O

BDBM50324440

OC(=O)c1ccc(cc1)-n1c(\C=C\c2ccc3OCCOc3c2)nc2ccccc2c1=O

BDBM50324441

O=c1n(-c2ccccc2)c(\C=C\c2cccnc2)nc2ccccc12

BDBM50324442

Ic1ccc2nc(\C=C\c3cccnc3)n(-c3ccccc3)c(=O)c2c1

BDBM50324443

COc1ccc(cc1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

BDBM50324444

COc1cccc(c1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

BDBM50324445

COc1ccccc1-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O |(9.99,5.86,;9.99,4.32,;11.33,3.56,;12.66,4.34,;14.01,3.58,;14.01,2.04,;12.68,1.26,;11.34,2.03,;10.01,1.26,;10.02,-.29,;11.36,-1.06,;11.36,-2.6,;12.69,-3.36,;14.01,-2.58,;15.35,-3.34,;15.35,-4.89,;14.02,-5.66,;12.69,-4.9,;8.68,-1.07,;7.35,-.3,;6,-1.07,;4.67,-.3,;4.67,1.24,;3.34,2.01,;6,2.01,;7.34,1.24,;8.67,2.03,;8.66,3.57,)|

BDBM50324446

Cc1ccc(cc1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

BDBM50324447

Cc1cccc(c1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

BDBM50324448

Cc1ccccc1-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O |(9.99,-8.67,;11.33,-9.43,;12.66,-8.66,;14.01,-9.42,;14.01,-10.96,;12.68,-11.74,;11.34,-10.97,;10.01,-11.74,;10.02,-13.28,;11.36,-14.05,;11.36,-15.59,;12.69,-16.36,;14.01,-15.58,;15.35,-16.34,;15.35,-17.89,;14.02,-18.66,;12.69,-17.9,;8.68,-14.06,;7.35,-13.29,;6,-14.07,;4.67,-13.3,;4.67,-11.76,;3.34,-10.99,;6,-10.98,;7.34,-11.75,;8.67,-10.97,;8.66,-9.43,)|

BDBM50324449

[O-][N+](=O)c1ccc(cc1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

BDBM50324450

[O-][N+](=O)c1cccc(c1)-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O

BDBM50324451

[O-][N+](=O)c1ccccc1-n1c(\C=C\c2cccnc2)nc2ccc(I)cc2c1=O |(18.58,-22.91,;17.82,-24.26,;16.27,-24.27,;18.6,-25.6,;19.93,-24.82,;21.27,-25.58,;21.27,-27.12,;19.94,-27.9,;18.61,-27.13,;17.28,-27.9,;17.29,-29.45,;18.62,-30.22,;18.62,-31.76,;19.96,-32.52,;21.28,-31.74,;22.61,-32.5,;22.62,-34.05,;21.29,-34.82,;19.95,-34.06,;15.95,-30.22,;14.62,-29.45,;13.27,-30.23,;11.94,-29.46,;11.94,-27.92,;10.61,-27.15,;13.27,-27.14,;14.61,-27.91,;15.94,-27.13,;15.92,-25.59,)|

BDBM50324473

COc1ccccc1-n1c(\C=C\c2ccccc2[N+]([O-])=O)nc2ccccc2c1=O |(33.08,.19,;31.74,.96,;31.74,2.5,;33.07,3.27,;33.06,4.81,;31.73,5.58,;30.4,4.8,;30.4,3.27,;29.07,2.5,;29.08,.94,;30.41,.19,;30.42,-1.37,;31.76,-2.13,;33.07,-1.35,;34.41,-2.12,;34.42,-3.66,;33.09,-4.43,;31.75,-3.67,;30.42,-4.44,;29.08,-3.67,;30.42,-5.98,;27.74,.16,;26.4,.93,;25.05,.16,;23.72,.93,;23.72,2.47,;25.05,3.25,;26.39,2.48,;27.72,3.27,;27.71,4.81,)|

BDBM50330411

c1c2c(cc3c1OCCO3)O[C@@H]4CCCN4C2=O

BDBM50330417

CC(C)S(=O)(=O)NCCCCCCCCNS(=O)(=O)C(C)C

BDBM50330418

CC(C)S(=O)(=O)NCCCCCCCNS(=O)(=O)C(C)C

BDBM50330419

CC(C)S(=O)(=O)NCCCCCCCCCNS(=O)(=O)C(C)C

BDBM50094024

CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)-c1ccc(cc1)C#N

BDBM50034501

N[C@H](C(O)=O)c1cc(=O)[nH]o1

BDBM50027828

[O-]C(=O)C1[NH2+]CCc2c1o[nH]c2=O

BDBM50355329

NC(Cc1cc(Cl)c(cc1CCC(O)=O)[N+]([O-])=O)C(O)=O

BDBM50091474

CC(C)\C=C(/C[C@H](N)C(O)=O)C(O)=O

BDBM50088222

N[C@@H](C[C@@H](C\C=C\c1ccc2ccccc2c1)C(O)=O)C(O)=O

BDBM50091477

[#7]-[#6@@H](-[#6]\[#6](-[#6](-[#8])=O)=[#6]-1\[#6]-[#6]-[#6]-[#6]-1)-[#6](-[#8])=O

BDBM50091473

[#6]-[#6]\[#6](-[#6]-[#6])=[#6](/[#6]-[#6@H](-[#7])-[#6](-[#8])=O)-[#6](-[#8])=O

BDBM50091475

CC(C)\C=C(\C[C@H](N)C(O)=O)C(O)=O

BDBM50002360

C1CN(C[C@@H](N1)C(=O)O)CCCP(=O)(O)O

BDBM50004897

C(C[C@H](C(=O)O)N)CP(=O)(O)O

BDBM50010893

N[C@H](CC(=O)CP(O)(O)=O)C(O)=O

BDBM50004927

OC(=O)[C@@H]1C[C@H](CP(O)(O)=O)CCN1

BDBM50002363

NC(CCCCCP(O)(O)=O)C(O)=O

BDBM50060628

N[C@@H](Cn1nc(Cl)c(=O)[nH]c1=O)C(O)=O

BDBM50060631

C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)[N+](=O)[O-]

BDBM50060627

C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)I

BDBM17661

N[C@@H](Cn1ccc(=O)[nH]c1=O)C(O)=O

BDBM50060633

Cc1nn(C[C@H](N)C(O)=O)c(=O)[nH]c1=O

BDBM50060634

N[C@@H](Cn1ncc(=O)[nH]c1=O)C(O)=O

BDBM50060632

C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Cl

BDBM50060630

N[C@@H](Cn1nc(Br)c(=O)[nH]c1=O)C(O)=O

BDBM50060636

C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br

BDBM50060629

N[C@@H](Cn1nc(I)c(=O)[nH]c1=O)C(O)=O

BDBM50118701

OC(=O)[C@@H]1C[C@H]2C[C@@H](Cn3cnc(c3)C(O)=O)CC[C@H]2CN1

BDBM50059674

Cn1nnnc1-c1o[nH]c(=O)c1CC(N)C(O)=O

BDBM50373179

N[C@H]([C@H]1CC(O)=NO1)C(O)=O |c:5|

BDBM50373181

N[C@H]([C@@H]1CC(O)=NO1)C(O)=O |c:5|

BDBM50373180

N[C@@H]([C@@H]1CC(O)=NO1)C(O)=O |c:5|

BDBM50373182

N[C@@H]([C@H]1CC(O)=NO1)C(O)=O |c:5|

BDBM50373890

N[C@@H](Cc1ns[nH]c1=O)C(O)=O |r|

BDBM50373889

N[C@H](Cc1ns[nH]c1=O)C(O)=O |r|

BDBM50252920

C1C2=C(CS1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N

BDBM50252922

N[C@@H](Cn1c2ccsc2c(=O)[nH]c1=O)C(O)=O |r|

BDBM50252719

c1c2c(co1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N

BDBM50252923

N[C@@H](Cn1c2ccccc2c(=O)[nH]c1=O)C(O)=O |r|

BDBM50252921

CC1(C)Cc2c(C1)c(=O)[nH]c(=O)n2C[C@H](N)C(O)=O |r|

BDBM50252919

N[C@@H](CCn1c2CCCc2c(=O)n(CC[C@H](N)C(O)=O)c1=O)C(O)=O |r|

BDBM50252918

N[C@@H](CCn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|

BDBM50252917

N[C@H](Cn1c2CCCc2c(=O)[nH]c1=O)C(O)=O |r|

BDBM50252873

C1=C(C(=O)NC(=O)N1C[C@@H](C(=O)O)N)Br

BDBM50061058

C1=CN(C(=O)NC1=O)C[C@@H](C(=O)O)N

BDBM50295042

CC1CCC=C(C[C@H](N)C(O)=O)c2c1o[nH]c2=O |r,t:4|

BDBM50267951

Cc1cc(cc(C)c1N)C1=NN(CC2CC(Br)=NO2)C(=O)Cc2cc3OCCOc3cc12 |c:17,t:10|

BDBM50399430

NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2cccc(O)c12 |r|

BDBM50399431

NCCCNCCCCNCCC(=O)NCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2ccccc12 |r|

BDBM50399432

[#6]-[#6@H](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

BDBM50399433

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

BDBM50425988

N[C@H](CCN=C(N)N)C(=O)NCCCCCCCCNCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)c1c[nH]c2ccccc12 |r,wU:27.27,wD:1.0,(63.54,-116.3,;63.54,-117.84,;64.87,-118.62,;66.2,-117.85,;67.53,-118.62,;68.86,-117.85,;70.2,-118.61,;68.86,-116.31,;62.2,-118.61,;62.19,-120.15,;60.87,-117.83,;59.54,-118.61,;58.2,-117.84,;56.87,-118.62,;55.53,-117.85,;54.2,-118.63,;52.87,-117.86,;51.54,-118.64,;50.2,-117.87,;48.87,-118.65,;47.54,-117.87,;46.2,-118.64,;44.87,-117.86,;43.53,-118.63,;42.2,-117.85,;40.87,-118.62,;40.86,-120.16,;39.54,-117.84,;38.2,-118.61,;36.87,-117.83,;36.87,-116.29,;35.53,-118.6,;34.2,-117.82,;34.21,-116.27,;32.87,-115.5,;31.53,-116.27,;30.2,-115.5,;31.54,-117.81,;32.86,-118.59,;32.86,-120.13,;39.54,-116.3,;38.3,-115.39,;38.78,-113.92,;40.32,-113.93,;41.35,-112.8,;42.84,-113.12,;43.31,-114.59,;42.28,-115.72,;40.78,-115.39,)|

BDBM50425989

N[C@H](CCN=C(N)N)C(=O)NCCCCCCCCNCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)c1cnc[nH]1 |r,wU:27.27,wD:1.0,(63.95,-107.91,;63.94,-109.45,;65.27,-110.22,;66.61,-109.46,;67.94,-110.23,;69.27,-109.46,;70.6,-110.22,;69.26,-107.92,;62.6,-110.21,;62.6,-111.75,;61.27,-109.44,;59.94,-110.21,;58.61,-109.45,;57.27,-110.22,;55.94,-109.46,;54.61,-110.23,;53.27,-109.47,;51.94,-110.24,;50.6,-109.48,;49.27,-110.25,;47.94,-109.48,;46.6,-110.24,;45.27,-109.47,;43.94,-110.23,;42.61,-109.46,;41.27,-110.22,;41.26,-111.76,;39.94,-109.45,;38.6,-110.21,;37.27,-109.44,;37.28,-107.9,;35.94,-110.2,;34.6,-109.43,;34.61,-107.88,;33.27,-107.11,;31.94,-107.88,;30.6,-107.11,;31.94,-109.42,;33.27,-110.19,;33.26,-111.73,;39.94,-107.91,;38.7,-107,;39.18,-105.53,;40.72,-105.54,;41.19,-107,)|

BDBM50425990

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

BDBM50425991

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

BDBM50425992

N[C@H](CCN=C(N)N)C(=O)NCCCCCCCCNCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2ccccc12 |r,wU:27.31,wD:1.0,(63.09,-105.91,;63.08,-107.45,;64.41,-108.23,;65.75,-107.46,;67.08,-108.23,;68.41,-107.46,;69.75,-108.22,;68.4,-105.92,;61.74,-108.22,;61.74,-109.76,;60.41,-107.44,;59.08,-108.22,;57.75,-107.45,;56.42,-108.23,;55.08,-107.46,;53.75,-108.24,;52.41,-107.47,;51.08,-108.25,;49.74,-107.48,;48.41,-108.26,;47.08,-107.48,;45.75,-108.25,;44.42,-107.47,;43.08,-108.24,;41.75,-107.46,;40.41,-108.23,;40.41,-109.77,;39.08,-107.45,;39.09,-105.91,;40.42,-105.15,;41.75,-105.92,;40.43,-103.61,;37.74,-108.22,;36.41,-107.44,;36.42,-105.9,;35.08,-108.21,;33.75,-107.43,;32.33,-108.05,;31.3,-106.9,;32.08,-105.57,;31.61,-104.11,;32.64,-102.98,;34.15,-103.3,;34.61,-104.77,;33.58,-105.9,)|

BDBM50425993

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccccc1 |r|

BDBM50425994

BDBM50425995

BDBM50425996

N[C@H](CCN=C(N)N)C(=O)NCCCCCNCCCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)c1c[nH]c2ccccc12 |r,wU:27.27,wD:1.0,(64.28,-71.95,;64.27,-73.49,;65.6,-74.27,;66.94,-73.5,;68.27,-74.28,;69.6,-73.5,;70.93,-74.27,;69.59,-71.96,;62.93,-74.26,;62.93,-75.8,;61.6,-73.48,;60.27,-74.26,;58.93,-73.49,;57.6,-74.27,;56.27,-73.5,;54.94,-74.28,;53.6,-73.51,;52.27,-74.29,;50.93,-73.52,;49.6,-74.3,;48.27,-73.53,;46.93,-74.3,;45.6,-73.52,;44.26,-74.29,;42.93,-73.51,;41.59,-74.28,;41.59,-75.82,;40.26,-73.5,;38.93,-74.27,;37.6,-73.49,;37.6,-71.95,;36.26,-74.26,;34.93,-73.48,;34.93,-71.93,;33.6,-71.16,;32.26,-71.93,;30.93,-71.16,;32.26,-73.47,;33.59,-74.24,;33.59,-75.78,;40.27,-71.96,;39.03,-71.05,;39.51,-69.59,;41.05,-69.6,;42.08,-68.47,;43.57,-68.78,;44.05,-70.25,;43.01,-71.39,;41.52,-71.06,)|

BDBM50425997

N[C@H](CCN=C(N)N)C(=O)NCCCCCNCCCCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)c1cnc[nH]1 |r,wU:27.27,wD:1.0,(63.05,-61.46,;63.04,-63,;64.37,-63.77,;65.71,-63.01,;67.04,-63.78,;68.37,-63.01,;69.7,-63.78,;68.36,-61.47,;61.7,-63.76,;61.7,-65.3,;60.37,-62.99,;59.04,-63.76,;57.71,-63,;56.38,-63.77,;55.04,-63.01,;53.71,-63.78,;52.37,-63.02,;51.04,-63.79,;49.7,-63.03,;48.37,-63.8,;47.04,-63.04,;45.7,-63.8,;44.37,-63.03,;43.03,-63.79,;41.7,-63.02,;40.37,-63.78,;40.36,-65.32,;39.03,-63.01,;37.7,-63.77,;36.37,-63,;36.37,-61.46,;35.03,-63.76,;33.7,-62.99,;33.71,-61.44,;32.37,-60.67,;31.03,-61.44,;29.7,-60.67,;31.04,-62.98,;32.36,-63.75,;32.36,-65.29,;39.04,-61.47,;37.8,-60.56,;38.28,-59.1,;39.82,-59.11,;40.29,-60.57,)|

BDBM50425998

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

BDBM50425999

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

BDBM50426000

N[C@H](CCN=C(N)N)C(=O)NCCCCCNCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2ccccc12 |r,wU:27.31,wD:1.0,(62.02,-79.67,;62.01,-81.21,;63.34,-81.98,;64.68,-81.22,;66.01,-81.99,;67.34,-81.22,;68.68,-81.98,;67.34,-79.68,;60.68,-81.97,;60.67,-83.51,;59.35,-81.2,;58.02,-81.97,;56.68,-81.21,;55.35,-81.98,;54.01,-81.22,;52.68,-81.99,;51.34,-81.23,;50.01,-82,;48.68,-81.24,;47.35,-82.01,;46.01,-81.25,;44.67,-82.01,;43.34,-81.24,;42.01,-82,;40.68,-81.23,;39.34,-81.99,;39.33,-83.53,;38.01,-81.22,;38.01,-79.68,;39.35,-78.91,;40.68,-79.69,;39.36,-77.37,;36.67,-81.98,;35.34,-81.21,;35.35,-79.67,;34,-81.97,;32.67,-81.2,;31.26,-81.81,;30.23,-80.66,;31,-79.33,;30.54,-77.88,;31.57,-76.74,;33.07,-77.07,;33.54,-78.53,;32.5,-79.66,)|

BDBM50426001

[#7]-[#6@H](-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccccc1 |r|

BDBM50426002

BDBM50426003

BDBM50426004

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

BDBM50426005

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

BDBM50426006

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

BDBM50426007

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

BDBM50426008

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

BDBM50426009

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

BDBM50426010

[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6]-c1ccc(-[#8])cc1-[#8] |r|

BDBM50458948

CCN(CC)c1ccc(cc1)\N=N\c1ccc(cc1)C(=O)N[C@@H](CC(N)=O)C(=O)NCCCCCCCCNCCCCNC(=O)[C@@H](N)CCCNC(N)=N |r|

BDBM50512939

Cn1nnc(O)c1CC(N)C(O)=O

BDBM50512943

CCn1nc(O)c(CC(N)C(O)=O)n1

BDBM50512940

Cn1nc(O)c(CC(N)C(O)=O)n1

BDBM50059672

Cn1nnc(n1)-c1o[nH]c(=O)c1CC(N)C(O)=O

BDBM50512941

CCCn1nnc(O)c1CC(N)C(O)=O

BDBM50512944

CCn1nnc(O)c1CC(N)C(O)=O

BDBM50512946

CCCn1nc(O)c(CC(N)C(O)=O)n1

BDBM50512945

Cc1onc(O)c1C[C@H](N)C(O)=O |r|