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AIFCHEM-94608838571 [0,2,0,0,0,0|2,0,0]=4 149 B13R0.267 CCOC(=O)C(C)CNC[C@@H](F)CO AIFCHEM-6483549995 [0,2,0,0,0,0|2,0,0]=4 150 B13R0.267 CCOC(=O)C(C)CNC[C@H](C)OC AIFCHEM-94588782477 [0,2,0,0,0,0|2,0,0]=4 151 B13R0.267 CCOC(=O)C(C)CNC[C@H](F)CO AIFCHEM-94577438751 [0,2,0,0,0,0|2,0,0]=4 152 B13R0.1171 CCCCCCN(C)C(=O)CCOC AIFCHEM-6013768761 [0,2,0,0,0,0|2,0,0]=4 153 B13R0.1171 CCCOC(=O)[C@H](C)NCCCSC AIFCHEM-94546184481 [0,2,0,0,0,0|2,0,0]=4 154 B13R0.23 CCOC(=O)CCNC(CC)COC AIFCHEM-6011644445 [0,2,0,0,0,0|2,0,0]=4 155 B13R0.113 CCCOC(=O)CNCCC(C)SC AIFCHEM-94602831118 [0,2,0,0,0,0|2,0,0]=4 156 B13R0.119 CCOCC(=O)NCCCCN(C)C AIFCHEM-94602194098 [0,2,0,0,0,0|2,0,0]=4 157 B13R0.154 CCCCCCNC(=O)CCC(=O)C AIFCHEM-94571769068 [0,2,0,0,0,0|2,0,0]=4 158 B13R0.154 CCCCCCNC(=O)COC(=O)C AIFCHEM-94571769813 [0,2,0,0,0,0|1,0,1]=4 159 B13R0.154 CCCCCCNC(=O)COC(C)C AIFCHEM-94571773150 [0,2,0,0,0,0|1,0,0]=3 160 B13R0.154 COCCCCCC(=O)NCC(C)C AIFCHEM-94563731226 [0,2,0,0,0,0|2,0,0]=4 161 B13R0.195 CCCCNC(C)CC(=O)NCCO AIFCHEM-94570972136 [0,2,0,0,0,0|2,0,0]=4 162 B13R0.338 CC#CCNC(=O)CCCCCCC AIFCHEM-5694245286 [0,2,0,0,0,0|1,0,0]=3 163 B13R0.338 CCCCCCNC(=O)CCCCC AIFCHEM-94585545880 [0,2,0,0,0,0|2,0,0]=4 164 B13R0.338 COCCCCCC(=O)NCCOC AIFCHEM-94534408900 [0,2,0,0,0,0|2,0,0]=4 165 B13R0.338 COCCCCCC(=O)NCCSC AIFCHEM-94534419058 [0,2,0,0,0,0|2,0,0]=4 166 B13R0.1521 CCOC(=O)CC(C)NCC(O)CC AIFCHEM-94544057894 [0,2,0,0,0,0|1,0,0]=3 167 B13R0.1521 CCOC(=O)CC(C)NC[C@H](O)CC AIFCHEM-94544057892 [0,2,0,0,0,0|1,0,0]=3 168 B13R0.91 CCOC(=O)CCCNC(C)C(C)O AIFCHEM-94547074744 [0,2,0,0,0,0|1,0,0]=3 169 B13R0.1115 CCOC(=O)CCCNC(CO)CO AIFCHEM-94606752890 [0,2,0,0,0,0|2,0,0]=4 170 B13R0.1115 CCOC(=O)CCNCC(OC)OC AIFCHEM-6011885263 [0,2,0,0,0,0|2,0,0]=4 171 B13R0.21 CCOC(=O)CCNCCC(F)(F)F AIFCHEM-6036949547 [0,2,0,0,0,0|2,0,0]=4 172 B11R1.24 CCCNC1CCNC(=O)C1 AIFCHEM-94569013012 [1,0,0,1,0,0|2,0,0]=4 173 B11R1.135 CCCN1CCNC(=O)CC1 AIFCHEM-94569015196 [1,0,0,1,0,0|2,0,0]=4 174 B11R1.289 CCOC(=O)CNC1CCC1 AIFCHEM-94576055917 [1,0,0,1,0,0|1,0,0]=3 175 B11R1.290 CCOC(=O)CNCC1CC1 AIFCHEM-5643711363 [1,0,0,1,0,0|1,0,0]=3 176 B11R1.18 CCCNC1CCCC1CC AIFCHEM-5875578081 [1,0,0,1,0,0|2,0,0]=4 177 B11R1.28 CCCCNC1CCOCC1 AIFCHEM-94523036609 [1,0,0,1,0,0|1,0,1]=4 178 B11R1.41 CCCN1CCCCC1CC AIFCHEM-94569012819 [1,0,0,1,0,0|2,0,0]=4 179 B11R1.47 CCCCCCCN1CCC1 AIFCHEM-94604918926 [1,0,0,1,0,0|2,0,0]=4 180 B11R1.47 CCOCCCNC1CCC1 AIFCHEM-94576056023 [1,0,0,1,0,0|1,0,1]=4 181 B11R1.203 CCNCC1CCCCCC1 AIFCHEM-94532085883 [1,0,0,1,0,0|1,0,1]=4 182 B11R1.1 CCCNC1CCS(=O)CC1 AIFCHEM-94521367617 [1,0,0,1,0,0|2,0,0]=4 183 B11R1.13 CCCN1CCNC(=O)C1C AIFCHEM-94569016072 [1,0,0,1,0,0|2,0,0]=4 184 B11R1.13 CCCN1CCNC(=O)[C@@H]1C AIFCHEM-94569022530 [1,0,0,1,0,0|2,0,0]=4 185 B11R1.13 CCCN1CCNC(=O)[C@H]1C AIFCHEM-94569024217 [1,0,0,1,0,0|2,0,0]=4 186 B11R1.25 O=C(CO)NCC1CCCC1 AIFCHEM-94532683931 [1,0,0,1,0,0|2,0,0]=4 187 B11R1.27 CCCCNC1CNC(=O)C1 AIFCHEM-94570972996 [1,0,0,1,0,0|2,0,0]=4 188 B11R1.27 CCCCN[C@H]1CNC(=O)C1 AIFCHEM-94523033306 [1,0,0,1,0,0|2,0,0]=4 189 B11R1.27 CCCNCC1CCC(=O)N1 AIFCHEM-94569009564 [1,0,0,1,0,0|2,0,0]=4 190 B11R1.27 CCCNC[C@@H]1CCC(=O)N1 AIFCHEM-94569015803 [1,0,0,1,0,0|2,0,0]=4 191 B11R1.27 CCCNC[C@H]1CCC(=O)N1 AIFCHEM-94569013841 [1,0,0,1,0,0|2,0,0]=4 192 B11R1.115 CCCN1CCC1C(=O)OC AIFCHEM-94569013447 [1,0,0,1,0,0|1,0,0]=3 193 B11R1.236 COC(=O)CNCC1CCC1 AIFCHEM-6212836390 [1,0,0,1,0,0|1,0,0]=3 194 B11R1.237 COC(=O)CCCNC1CC1 AIFCHEM-94592437840 [1,0,0,1,0,0|1,0,0]=3 195 B11R1.237 COC(=O)CCNCC1CC1 AIFCHEM-6173958767 [1,0,0,1,0,0|1,0,0]=3 196 B13R1.6 CCCCCNC1CCOC(C1)C AIFCHEM-94522650433 [0,1,0,1,0,0|1,0,1]=4 197 B13R1.6 COCCCNC1CCNC(=O)C1 AIFCHEM-5663233885 [0,1,0,1,0,0|2,0,0]=4 198 B13R1.6 CSCCCNC1CCNC(=O)C1 AIFCHEM-94546177154 [0,1,0,1,0,0|2,0,0]=4 199 B13R1.42 CC#CC(=O)NCC1CCCCC1 AIFCHEM-5761015218 [0,1,0,1,0,0|1,0,1]=4 200 B13R1.42 CCNC(=O)CNC1CCCCC1 AIFCHEM-94601795877 [0,1,0,1,0,0|1,0,0]=3 201 B13R1.208 CCCN1CCC[C@H]1C(=O)NCC AIFCHEM-94569020237 [0,1,0,1,0,0|1,0,0]=3 202 B13R1.404 CCNC(=O)CNCC1CCCC1 AIFCHEM-5868831623 [0,1,0,1,0,0|1,0,0]=3 203 B13R1.453 CCOC(=O)CCCNCC1CC1 AIFCHEM-5907652030 [0,1,0,1,0,0|0,0,0]=2 204 B13R1.464 CC#CC(=O)N1CCCCC1CC AIFCHEM-5790636266 [0,1,0,1,0,0|1,0,1]=4 205 B13R1.470 COCC(=O)NC1CCCCC1C AIFCHEM-5678733978 [0,1,0,1,0,0|2,0,0]=4 206 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@@H]1C AIFCHEM-94605795246 [0,1,0,1,0,0|2,0,0]=4 207 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@H]1C AIFCHEM-5773632243 [0,1,0,1,0,0|2,0,0]=4 208 B13R1.470 COCC(=O)N[C@H]1CCCC[C@H]1C AIFCHEM-5852277946 [0,1,0,1,0,0|2,0,0]=4 209 B13R1.654 CCCCCCNC1CCOC1C AIFCHEM-94571764482 [0,1,0,1,0,0|1,0,1]=4 210 B13R1.654 O=C1OCCC1NCCOCCO AIFCHEM-94548312634 [0,1,0,1,0,0|2,0,0]=4 211 B13R1.654 O=C1OCC[C@@H]1NCCOCCO AIFCHEM-94552937813 [0,1,0,1,0,0|2,0,0]=4 212 B13R1.654 O=C1OCC[C@H]1NCCOCCO AIFCHEM-94543697956 [0,1,0,1,0,0|2,0,0]=4 213 B13R1.1464 COCC(=O)N1CCCCCCC1 AIFCHEM-6028407560 [0,1,0,1,0,0|2,0,0]=4 214 B13R1.1575 CSCC(=O)NC1CCCCCC1 AIFCHEM-5670437882 [0,1,0,1,0,0|2,0,0]=4 215 B13R1.2851 CCCNCC1CC1C(=O)OCC AIFCHEM-5792751350 [0,1,0,1,0,0|0,0,0]=2 216 B13R1.2851 CCOC(=O)C1CC1CNCCO AIFCHEM-94577777403 [0,1,0,1,0,0|1,0,0]=3 217 B13R1.201 CC(C)NC(=O)C1CCCCC1C AIFCHEM-94520549840 [0,1,0,1,0,0|1,0,0]=3 218 B13R1.348 CC(C)NC(=O)CC1CCOCC1 AIFCHEM-94520551470 [0,1,0,1,0,0|2,0,0]=4 219 B13R1.3574 CCCCCNCC(=O)NC1CC1 AIFCHEM-94551435782 [0,1,0,1,0,0|2,0,0]=4 220 B13R1.7456 CC(C)NC(=O)C1CCCCCC1 AIFCHEM-94520545179 [0,1,0,1,0,0|1,0,0]=3 221 B13R1.554 CCN(C)C(=O)COC1CCCC1 AIFCHEM-94563270900 [0,1,0,1,0,0|2,0,0]=4 222 B13R1.3572 CCCCCCNC(=O)C1CCC1 AIFCHEM-94575443708 [0,1,0,1,0,0|2,0,0]=4 223 B13R1.3572 CCCCCCNC(=O)C1CCO1 AIFCHEM-6129515072 [0,1,0,1,0,0|1,0,0]=3 224 B13R1.3572 CCCCCCNC(=O)C1COC1 AIFCHEM-94571768534 [0,1,0,1,0,0|2,0,0]=4 225 B13R1.3572 CCCCCCNC(=O)[C@@H]1CCO1 AIFCHEM-6103351409 [0,1,0,1,0,0|1,0,0]=3 226 B13R1.3573 CCCCCCNC(=O)C1(CC1)C AIFCHEM-6122474146 [0,1,0,1,0,0|2,0,0]=4 227 B13R1.18 CCCCC(=O)N1CCOC(=O)C1 AIFCHEM-94534108139 [0,1,0,1,0,0|1,0,1]=4 228 B13R1.153 CCCOC(=O)CNC1CCOC1 AIFCHEM-94602831955 [0,1,0,1,0,0|2,0,0]=4 229 B13R1.153 CCSCC(=O)NCC1CCCC1 AIFCHEM-94573927037 [0,1,0,1,0,0|1,1,0]=4 230 B13R1.454 CCOC(=O)[C@@H]1C[C@@H](CN1CC)O AIFCHEM-94537415378 [0,1,0,1,0,0|1,0,0]=3 231 B13R1.454 CCOC(=O)[C@@H]1C[C@H](CN1CC)O AIFCHEM-94537420428 [0,1,0,1,0,0|1,0,0]=3 232 B13R1.686 CCCCC(=O)NC1CCOC1=O AIFCHEM-94548317722 [0,1,0,1,0,0|1,0,1]=4 233 B13R1.686 CCCCC(=O)N[C@@H]1CCOC1=O AIFCHEM-94543703044 [0,1,0,1,0,0|1,0,1]=4 234 B13R1.686 CCCCC(=O)N[C@H]1CCOC1=O AIFCHEM-94534105549 [0,1,0,1,0,0|1,0,1]=4 235 B13R1.3130 CCOC(=O)CCC(C)N1CCC1 AIFCHEM-94604922945 [0,1,0,1,0,0|1,0,0]=3 236 B13R1.3132 CCOC(=O)CCC(=O)NC1CC1 AIFCHEM-94573319350 [0,1,0,1,0,0|1,0,1]=4 237 B13R1.66 CCNC(=O)[C@H](C)NC1CCCC1 AIFCHEM-94541530455 [0,1,0,1,0,0|2,0,0]=4 238 B13R1.66 CCSC(=O)[C@H](C)NC1CCCC1 AIFCHEM-94541521335 [0,1,0,1,0,0|1,1,0]=4 239 B13R1.44 CCCNC(=O)CC1CCCOC1 AIFCHEM-94521372519 [0,1,0,1,0,0|2,0,0]=4 240 B13R1.674 C#CCNC(=O)C1CCCCC1C AIFCHEM-6216316047 [0,1,0,1,0,0|1,0,1]=4 241 B13R1.674 CCC#CC(=O)N1CCCC[C@@H]1C AIFCHEM-5979324512 [0,1,0,1,0,0|2,0,0]=4 242 B13R1.674 CCC#CC(=O)N1CCCC[C@H]1C AIFCHEM-5712686847 [0,1,0,1,0,0|2,0,0]=4 243 B13R1.674 CCCCC(=O)N1CCCC[C@@H]1C AIFCHEM-94588088724 [0,1,0,1,0,0|2,0,0]=4 244 B13R1.674 CCCCC(=O)N1CCCC[C@H]1C AIFCHEM-94534104094 [0,1,0,1,0,0|2,0,0]=4 245 B13R1.683 CCCOC(=O)CNCC1CCC1 AIFCHEM-94602832430 [0,1,0,1,0,0|1,0,0]=3 246 B13R1.689 CCOC(=O)CC1CCN(C1)CC AIFCHEM-94537424817 [0,1,0,1,0,0|1,0,0]=3 247 B13R1.689 CCOC(=O)C[C@H]1CCN(C1)CC AIFCHEM-94537414534 [0,1,0,1,0,0|1,0,0]=3 248 B13R1.2845 CCOC(=O)CC(C)N[C@@H]1C[C@H]1C AIFCHEM-94544070809 [0,1,0,1,0,0|1,0,0]=3 249 B13R1.2846 CCOC(=O)CC(C)NC1CCC1 AIFCHEM-94537763490 [0,1,0,1,0,0|1,0,0]=3 250 B13R1.2846 CCOC(=O)C[C@H](C)NC1CCC1 AIFCHEM-94576049647 [0,1,0,1,0,0|1,0,0]=3 251 B13R1.15 CCC(C)CNC1CCNC(=O)C1 AIFCHEM-5806656814 [0,1,0,1,0,0|2,0,0]=4 252 B13R1.15 CCC(O)CNC1CCNC(=O)C1 AIFCHEM-6419832449 [0,1,0,1,0,0|2,0,0]=4 253 B13R1.599 CSC(C)CCNC1CCOC1=O AIFCHEM-94548312423 [0,1,0,1,0,0|2,0,0]=4 254 B13R1.599 CSC(C)CCN[C@@H]1CCOC1=O AIFCHEM-5740300485 [0,1,0,1,0,0|2,0,0]=4 255 B13R1.599 CSC(C)CCN[C@H]1CCOC1=O AIFCHEM-94552937602 [0,1,0,1,0,0|2,0,0]=4 256 B13R1.1463 CCCC(C)N1CCNC(=O)CC1 AIFCHEM-94519744891 [0,1,0,1,0,0|2,0,0]=4 257 B13R1.149 CC(O)CCNC1CCNC(=O)C1 AIFCHEM-94577736089 [0,1,0,1,0,0|2,0,0]=4 258 B13R1.149 C[C@H](O)CCNC1CCNC(=O)C1 AIFCHEM-94544714355 [0,1,0,1,0,0|2,0,0]=4 259 B13R1.1496 CCOC(=O)CCNC(=O)C1CC1 AIFCHEM-6037857208 [0,1,0,1,0,0|1,0,1]=4 260 B13R2.3152 O=C1OCCC1NCC2CCC2 AIFCHEM-94548313735 [0,0,0,2,0,0|1,0,0]=3 261 B13R2.3152 O=C1OCC[C@@H]1NCC2CCC2 AIFCHEM-94552938914 [0,0,0,2,0,0|1,0,0]=3 262 B13R2.3152 O=C1OCC[C@H]1NCC2CCC2 AIFCHEM-5740244616 [0,0,0,2,0,0|1,0,0]=3 263 B13R2.11172 O=C1CCN(CCN1)C2CCC2 AIFCHEM-94519745245 [0,0,0,2,0,0|2,0,0]=4