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113 SMILES Strings for Metabotropic glutamate receptor 5 (mGluR5)

Compound NameSMILES String
BDBM168300 F[C@H]1C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,1.0,wD:18.21,3.5,(-7.08,-3.45,;-5.75,-4.22,;-4.26,-3.82,;-3.86,-5.31,;-5.35,-5.71,;-2.53,-6.08,;-1.2,-6.85,;.14,-7.62,;.14,-9.16,;1.47,-9.93,;2.8,-9.16,;2.8,-7.62,;1.47,-6.85,;4.14,-6.85,;4.14,-5.31,;5.6,-4.83,;6.37,-3.5,;6.51,-6.08,;5.6,-7.33,;6,-8.81,;7.49,-9.21,;7.89,-10.7,;6.8,-11.79,;5.31,-11.39,;4.22,-12.48,;4.91,-9.9,)|
BDBM174171 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCn1ccnc1 |r|
BDBM174267 F[C@H]1C[C@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,1.0,wD:18.21,(-7.08,-3.45,;-5.75,-4.22,;-4.26,-3.82,;-3.86,-5.31,;-5.35,-5.71,;-2.53,-6.08,;-1.2,-6.85,;.14,-7.62,;.14,-9.16,;1.47,-9.93,;2.8,-9.16,;2.8,-7.62,;1.47,-6.85,;4.14,-6.85,;4.14,-5.31,;5.6,-4.83,;6.37,-3.5,;6.51,-6.08,;5.6,-7.33,;6,-8.81,;7.49,-9.21,;7.89,-10.7,;6.8,-11.79,;5.31,-11.39,;4.22,-12.48,;4.91,-9.9,)|
BDBM174231 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCn1cccn1 |r|
BDBM174091 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCC1 |r|
BDBM174092 CCSCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174100 CCCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174125 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CC1 |r|
BDBM174127 CC(C)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174129 CCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174131 C[C@H](O)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174133 CC(C)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174135 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCOCC1 |r|
BDBM174137 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCCCC1 |r|
BDBM174140 OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CCC1 |r|
BDBM174142 CCC(C)(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174143 COCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174144 OCCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174151 CCCC(C)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174156 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCOc1ccccc1 |r|
BDBM174158 Cc1ccn(CC#Cc2cncc(c2)[C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)n1 |r|
BDBM174159 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCn1cc(Cl)cn1 |r|
BDBM174162 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CC1(F)F |r|
BDBM174163 OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CCCCC1 |r|
BDBM174164 Cc1ccnn1CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174165 CCC(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174172 CC(C)(C)OCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174174 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCCC#N |r|
BDBM174175 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1CCOCC1 |r|
BDBM174176 COCC(O)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174177 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCOC1CCCCO1 |r|
BDBM174178 OC1(CCCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174179 CC(C)(O)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174180 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1CCCCC1 |r|
BDBM174181 CC(O)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174182 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCc1ccccc1 |r|
BDBM174184 CN(C)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174188 CC(=O)NCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174189 OC1(CC#Cc2cncc(c2)[C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)CCC1 |r|
BDBM174191 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1CCCC1=O |r|
BDBM174192 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCNC(=O)C(F)(F)F |r|
BDBM174193 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1N=CC2C=CC=CC12 |r,c:26,29,31|
BDBM174194 CC(C)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174195 CCCCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174201 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCOCC(F)(F)F |r|
BDBM174205 CCOCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174206 CC1CN(CC#Cc2cncc(c2)[C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)N=C1 |r,c:29|
BDBM174207 CCOCCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174210 CCCCC(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174229 COCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174230 CC(C)(C)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174232 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCCO1 |r|
BDBM174236 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCCOCC(F)(F)F |r|
BDBM174237 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1COC1 |r|
BDBM174238 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCO1 |r|
BDBM174239 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1CC(F)(F)C1 |r|
BDBM174240 Cc1cn(CC#Cc2cncc(c2)[C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)cn1 |r|
BDBM174241 OC(CC1CC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174271 O[C@H]1C[C@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,1.0,wD:18.21,(-7.49,4.51,;-6.15,3.74,;-4.66,4.14,;-4.27,2.65,;-5.75,2.26,;-2.93,1.88,;-1.6,1.11,;-.26,.34,;-.26,-1.2,;1.07,-1.97,;2.4,-1.2,;2.4,.34,;1.07,1.11,;3.74,1.11,;3.74,2.65,;5.2,3.13,;5.97,4.46,;6.11,1.88,;5.2,.64,;5.6,-.85,;7.09,-1.25,;7.49,-2.73,;6.4,-3.82,;4.91,-3.42,;3.82,-4.51,;4.51,-1.94,)|
BDBM174272 O[C@H]1C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,wD:18.21,1.0,(-7.49,4.51,;-6.15,3.74,;-5.75,2.26,;-4.27,2.65,;-4.66,4.14,;-2.93,1.88,;-1.6,1.11,;-.26,.34,;-.26,-1.2,;1.07,-1.97,;2.4,-1.2,;2.4,.34,;1.07,1.11,;3.74,1.11,;3.74,2.65,;5.2,3.13,;5.97,4.46,;6.11,1.88,;5.2,.64,;5.6,-.85,;7.09,-1.25,;7.49,-2.73,;6.4,-3.82,;4.91,-3.42,;3.82,-4.51,;4.51,-1.94,)|
BDBM174273 C[C@@]1(O)C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:14.15,4.6,1.1,wD:19.22,1.0,(-7.16,-3.91,;-5.68,-3.51,;-6.08,-2.02,;-5.28,-5,;-3.79,-4.6,;-4.19,-3.11,;-2.46,-5.37,;-1.12,-6.14,;.21,-6.91,;.21,-8.45,;1.54,-9.22,;2.88,-8.45,;2.88,-6.91,;1.54,-6.14,;4.21,-6.14,;4.21,-4.6,;5.68,-4.12,;6.45,-2.79,;6.58,-5.37,;5.68,-6.61,;6.07,-8.1,;7.56,-8.5,;7.96,-9.99,;6.87,-11.08,;5.38,-10.68,;4.3,-11.77,;4.99,-9.19,)|
BDBM174274 FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(c1)[N+]#[C-] |r|
BDBM174275 FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(Cl)c1 |r|
BDBM174276 Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
BDBM174244 CC1CC1C(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174245 OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CC1(F)F |r|
BDBM174248 CN(C)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174249 COc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cccc(c1)C#CC1CC1 |r|
BDBM174277 COc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
BDBM174278 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cc(cnc1F)C#CC1CC(F)(F)C1 |r|
BDBM174279 FC1(F)CC(C1)C#Cc1ccnc(c1)[C@H]1NC(=O)O[C@@H]1c1ccccc1 |r|
BDBM174280 FC1(F)CC(C1)C#Cc1cccc(n1)[C@H]1NC(=O)O[C@@H]1c1ccccc1 |r|
BDBM174281 FC1(F)CC(C1)C#Cc1cc(ccn1)[C@H]1NC(=O)O[C@@H]1c1ccccc1 |r|
BDBM174282 Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
BDBM174283 COc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cccc(c1)C#CC1CC(F)(F)C1 |r|
BDBM174284 Fc1cc(F)cc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
BDBM174250 Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCCC1 |r|
BDBM174251 Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC12CCC(CC1)CC2 |r|
BDBM174252 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCCC1 |r|
BDBM174253 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC12CCC(CC1)CC2 |r|
BDBM174254 OC1(CCCCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174255 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCC1 |r|
BDBM174256 CC1(CCCCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174257 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC1 |r|
BDBM174285 Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC(F)(F)C2)c(F)c1F |r|
BDBM174286 Fc1ccc(cc1F)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
BDBM174306 Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC(F)(F)C2)c(F)c1 |r|
BDBM174331 FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1ccc(Cl)cc1 |r|
BDBM174335 Fc1cc(F)c(cc1F)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
BDBM174391 Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC(F)(F)C2)c(Cl)c1 |r|
BDBM174392 FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(Cl)c1Cl |r|
BDBM174396 Clc1cccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC2)c1Cl |r|
BDBM174258 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCC1 |r|
BDBM174259 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC12CC1CCCC2 |r|
BDBM174260 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1(F)CCCCC1 |r|
BDBM174261 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCC(F)(F)CC1 |r|
BDBM174262 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCOCC1 |r|
BDBM174263 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCOC1 |r|
BDBM174264 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCO1 |r|
BDBM174265 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1COC1 |r|
BDBM174266 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
BDBM174268 Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCOCC1 |r|
BDBM174269 COC1(CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)OC |r|
BDBM174270 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(=O)C1 |r|
BDBM174157 CC(C)C(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174212 OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CC1 |r|
BDBM174242 OC(CC1CCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM179971 C[C@]1(O)C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:14.15,4.6,1.0,wD:19.22,1.1,(-7.16,-3.91,;-5.68,-3.51,;-6.08,-2.02,;-5.28,-5,;-3.79,-4.6,;-4.19,-3.11,;-2.46,-5.37,;-1.12,-6.14,;.21,-6.91,;.21,-8.45,;1.54,-9.22,;2.88,-8.45,;2.88,-6.91,;1.54,-6.14,;4.21,-6.14,;4.21,-4.6,;5.68,-4.12,;6.45,-2.79,;6.58,-5.37,;5.68,-6.61,;6.07,-8.1,;7.56,-8.5,;7.96,-9.99,;6.87,-11.08,;5.38,-10.68,;4.3,-11.77,;4.99,-9.19,)|
BDBM174146 CCC(O)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174136 CCCC(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174132 CC(O)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174246 CC1(C)CC1C(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
BDBM174233 Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCOC1 |r|