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CCOC(=O)CCCCC(=O)N[C@H](C)COC AIFCHEM-94601274615 [0,1,0,0,0,1|2,0,0]=4 128 B16R0.183 CCCCCCC(=O)NCCCC(=O)OCC AIFCHEM-94521990632 [0,1,0,0,0,1|0,0,0]=2 129 B16R0.183 CCCCCCC(C)NCCCC(=O)OCC AIFCHEM-5907705271 [0,1,0,0,0,1|1,0,1]=4 130 B16R0.183 CCCCCCN(C)CCCCC(=O)OCC AIFCHEM-6039839521 [0,1,0,0,0,1|2,0,0]=4 131 B16R0.183 CCOC(=O)CCCCC(=O)NCCCOC AIFCHEM-94540963599 [0,1,0,0,0,1|1,0,0]=3 132 B16R0.183 CCOC(=O)CCCCN(C)CCCCCO AIFCHEM-6408184705 [0,1,0,0,0,1|2,0,0]=4 133 B16R0.591 CCCCCC(CC)NCCCC(=O)OCC AIFCHEM-94563182392 [0,1,0,0,0,1|1,0,1]=4 134 B16R0.3162 C#CCCCC(=O)N(C)CCCC(=O)OCC AIFCHEM-5899663083 [0,1,0,0,0,1|0,0,2]=4 135 B16R0.3162 CC/C=C/CC(=O)N(C)CCCC(=O)OCC AIFCHEM-5929574005 [0,1,0,0,0,1|0,0,2]=4 136 B16R0.5780 CCOC(=O)CCCCC(=O)NCC(C)OC AIFCHEM-94540969484 [0,1,0,0,0,1|2,0,0]=4 137 B16R0.5780 CCOC(=O)CCCCC(=O)NC[C@@H](C)OC AIFCHEM-94540971312 [0,1,0,0,0,1|2,0,0]=4 138 B16R0.5780 CCOC(=O)CCCCC(=O)NC[C@H](C)OC AIFCHEM-94540971311 [0,1,0,0,0,1|2,0,0]=4 139 B16R0.2842 CCCC(=O)CCCC(=O)NCCCC(C)C AIFCHEM-5699543479 [0,2,0,0,0,0|1,0,0]=3 140 B16R0.2842 CCCC(=O)CCCC(=O)NCCCN(C)C AIFCHEM-5785021425 [0,2,0,0,0,0|2,0,0]=4 141 B16R0.3139 CCNC(=O)CNC(=O)CCCC(=O)OCC AIFCHEM-5822052518 [0,2,0,0,0,0|1,0,1]=4 142 B16R0.3278 CCCCOCC(=O)NC(C)CC(=O)OCC AIFCHEM-5744938816 [0,2,0,0,0,0|1,0,0]=3 143 B16R0.3278 CCCCOCC(=O)N[C@@H](C)CC(=O)OCC AIFCHEM-6054264992 [0,2,0,0,0,0|1,0,0]=3 144 B16R0.3278 CCOC(=O)CC(C)NC(=O)CCCCCO AIFCHEM-5715269247 [0,2,0,0,0,0|1,0,0]=3 145 B16R0.3278 CCOC(=O)C[C@H](C)NC(=O)CCCCCO AIFCHEM-6056505263 [0,2,0,0,0,0|1,0,0]=3 146 B16R0.5205 CCCC(=O)CCCC(=O)NCCCCC#N AIFCHEM-94558548953 [0,2,0,0,0,0|1,0,1]=4 147 B16R0.5205 CCCC(=O)CCCC(=O)NCCCOCC AIFCHEM-6281155883 [0,2,0,0,0,0|1,0,0]=3 148 B16R0.5205 CCCCCCCN(C)CCCC(=O)OCC AIFCHEM-94589463163 [0,2,0,0,0,0|2,0,0]=4 149 B16R0.5205 CCCCCCNC(=O)CCCC(=O)CCC AIFCHEM-94571773391 [0,2,0,0,0,0|1,0,0]=3 150 B16R0.5205 CCCCCCNC(C)CCCC(=O)OCC AIFCHEM-94575432831 [0,2,0,0,0,0|1,0,1]=4 151 B16R0.5205 CCOC(=O)CCCC(C)NCCCCCO AIFCHEM-94560925072 [0,2,0,0,0,0|1,0,1]=4 152 B16R0.5205 CCOCCCNC(=O)CCCC(=O)OCC AIFCHEM-6209082751 [0,2,0,0,0,0|0,0,0]=2 153 B16R0.5205 CCOCCCNC(C)CCCC(=O)OCC AIFCHEM-94560929643 [0,2,0,0,0,0|1,0,1]=4 154 B16R0.6103 CCCC[C@@H](C)NC(C)CCCC(=O)OCC AIFCHEM-94560930469 [0,2,0,0,0,0|1,0,1]=4 155 B16R0.809 CCCC(=O)CCCC(=O)N(C)CC(C)CC AIFCHEM-6094971847 [0,2,0,0,0,0|2,0,0]=4 156 B16R0.1230 CCOC(=O)CCN(C)C(=O)C(O)CCSC AIFCHEM-5961717773 [0,2,0,0,0,0|2,0,0]=4 157 B16R0.3038 CCCCC(CC)C(=O)NCCC(=O)OCC AIFCHEM-6011900584 [0,2,0,0,0,0|1,0,0]=3 158 B16R0.3038 CCOC(=O)CCCC(=O)N(CC)CCOC AIFCHEM-98076064250 [0,2,0,0,0,0|2,0,0]=4 159 B16R0.3038 CCOC(=O)CCCC(=O)N(CC)CCSC AIFCHEM-98076142456 [0,2,0,0,0,0|2,0,0]=4 160 B16R0.317 CCOC(=O)CCN(C)C(=O)COCC(C)C AIFCHEM-5975197000 [0,2,0,0,0,0|2,0,0]=4 161 B16R0.2846 CCCC(=O)CCCC(=O)NCCC(C)(C)C AIFCHEM-6283832899 [0,2,0,0,0,0|2,0,0]=4 162 B16R0.3125 CCCOCC(=O)NCCC(=O)OC(C)(C)C AIFCHEM-5690588665 [0,2,0,0,0,0|2,0,0]=4 163 B16R0.3125 COCCNC(=O)CCCC(=O)OC(C)(C)C AIFCHEM-6058479933 [0,2,0,0,0,0|2,0,0]=4 164 B16R0.5762 CCCC(C)CC(=O)N(C)CCC(=O)OCC AIFCHEM-5948701672 [0,2,0,0,0,0|1,0,0]=3 165 B16R0.5762 CCOC(=O)CCN(C)C(=O)CC(C)SCC AIFCHEM-5948324078 [0,2,0,0,0,0|2,0,0]=4 166 B16R0.1467 CCOC(=O)CCCN(CCCSC)C(=O)C AIFCHEM-99350713033 [0,2,0,0,0,0|2,0,0]=4 167 B16R0.1987 CCOC(=O)CCN(C)C(=O)CCC(C)CC AIFCHEM-5975169856 [0,2,0,0,0,0|1,0,0]=3 168 B16R0.6344 CCCCCC(=O)N(CC)CCC(=O)OCC AIFCHEM-97004746586 [0,2,0,0,0,0|1,0,0]=3 169 B16R0.6344 CCCOCC(=O)N(CC)CCC(=O)OCC AIFCHEM-97623983827 [0,2,0,0,0,0|2,0,0]=4 170 B14R1.612 CCOC(=O)CCCNCC1CCC1 AIFCHEM-5929063268 [1,0,0,1,0,0|1,0,0]=3 171 B14R1.635 CCCCN1CCC[C@@H]1C(=O)OCC AIFCHEM-94523030734 [1,0,0,1,0,0|1,0,1]=4 172 B14R1.635 CCCCN1CCC[C@H]1C(=O)OCC AIFCHEM-94523039475 [1,0,0,1,0,0|1,0,1]=4 173 B14R1.955 CCOC(=O)CCCCCNC1CC1 AIFCHEM-6109340047 [1,0,0,1,0,0|1,0,1]=4 174 B14R1.965 CCOC(=O)CC1CCCCN1CC AIFCHEM-94537419556 [1,0,0,1,0,0|1,0,1]=4 175 B14R1.2523 CCCCC(=O)N1CCC(=O)CC1C AIFCHEM-94534102606 [1,0,0,1,0,0|2,0,0]=4 176 B14R1.2523 CCCCC(=O)N1CCC(=O)C[C@@H]1C AIFCHEM-94534111147 [1,0,0,1,0,0|2,0,0]=4 177 B14R1.2523 CCCCC(=O)N1CCC(=O)C[C@H]1C AIFCHEM-94534103080 [1,0,0,1,0,0|2,0,0]=4 178 B14R1.2529 CCOC(=O)[C@@H]1C[C@H]1C(=O)NCCF AIFCHEM-5861865836 [1,0,0,1,0,0|2,0,0]=4 179 B14R1.7176 CCCC(=O)CCCC(=O)NC1CC1 AIFCHEM-94573324470 [1,0,0,1,0,0|2,0,0]=4 180 B14R1.19202 CCOC(=O)CCNC(=O)C1CC1F AIFCHEM-6074612203 [1,0,0,1,0,0|2,0,0]=4 181 B14R1.19202 CCOC(=O)CCNC(=O)[C@@H]1C[C@@H]1F AIFCHEM-6038853456 [1,0,0,1,0,0|2,0,0]=4 182 B14R1.19202 CCOC(=O)CCNC(=O)[C@@H]1C[C@H]1F AIFCHEM-94593659553 [1,0,0,1,0,0|2,0,0]=4 183 B14R1.19202 CCOC(=O)CCNC(=O)[C@H]1C[C@@H]1F AIFCHEM-6017181425 [1,0,0,1,0,0|2,0,0]=4 184 B14R1.19202 CCOC(=O)CCNC(=O)[C@H]1C[C@H]1F AIFCHEM-6038465703 [1,0,0,1,0,0|2,0,0]=4 185 B14R1.19 CCCCNC(=O)C1CCC(=O)NC1 AIFCHEM-94570980194 [1,0,0,1,0,0|2,0,0]=4 186 B14R1.729 CCC(=O)NCCC(=O)N1CCCC1 AIFCHEM-94526509544 [1,0,0,1,0,0|2,0,0]=4 187 B14R1.729 COC(=O)CCNC(=O)C1CCCC1 AIFCHEM-6130472649 [1,0,0,1,0,0|1,0,0]=3 188 B14R1.888 CCCCCN1CCC(C1)C(=O)OC AIFCHEM-94551439261 [1,0,0,1,0,0|2,0,0]=4 189 B14R1.888 CCCCCN1CC[C@@H](C1)C(=O)OC AIFCHEM-94551423657 [1,0,0,1,0,0|2,0,0]=4 190 B14R1.888 CCCCCN1CC[C@H](C1)C(=O)OC AIFCHEM-94592519008 [1,0,0,1,0,0|2,0,0]=4 191 B14R1.3022 CCCCNC(=O)C1CCC(=O)N1C AIFCHEM-5745387770 [1,0,0,1,0,0|2,0,0]=4 192 B14R1.3022 CCCCNC(=O)[C@@H]1CCC(=O)N1C AIFCHEM-5726249953 [1,0,0,1,0,0|2,0,0]=4 193 B14R1.7739 CCC(=O)CCCC(=O)N1CCC1C AIFCHEM-94552433612 [1,0,0,1,0,0|1,0,0]=3 194 B14R1.7739 CCC(=O)CCCC(=O)N1CC[C@@H]1C AIFCHEM-94552445703 [1,0,0,1,0,0|1,0,0]=3 195 B14R1.7739 CCC(=O)CCCC(=O)N1CC[C@H]1C AIFCHEM-94552444191 [1,0,0,1,0,0|1,0,0]=3 196 B14R1.158 CCCCCC(=O)NC1CCOCC1 AIFCHEM-94585545096 [1,0,0,1,0,0|1,0,1]=4 197 B14R1.20 CCCCNC(=O)C1CCNC(=O)C1 AIFCHEM-5695841659 [0,0,0,1,1,0|2,0,0]=4 198 B14R1.100 CCOC(=O)CNC(=O)C1CCCC1 AIFCHEM-5644366461 [0,0,0,1,1,0|1,0,0]=3 199 B14R1.100 CCOC(=O)CNC(=O)C1CCCO1 AIFCHEM-5617308056 [0,0,0,1,1,0|2,0,0]=4 200 B14R1.100 CCOC(=O)CNC(=O)[C@@H]1CCCO1 AIFCHEM-5593917916 [0,0,0,1,1,0|2,0,0]=4 201 B14R1.100 CCOC(=O)CNC(=O)[C@H]1CCCO1 AIFCHEM-5616870228 [0,0,0,1,1,0|2,0,0]=4 202 B14R1.3708 CCOC(=O)CCC(=O)NC1CC1F AIFCHEM-94597364284 [0,0,0,1,1,0|2,0,0]=4 203 B14R1.3708 CCOC(=O)CCC(=O)N[C@@H]1C[C@@H]1F AIFCHEM-6011031868 [0,0,0,1,1,0|2,0,0]=4 204 B14R1.3708 CCOC(=O)CCC(=O)N[C@H]1C[C@@H]1F AIFCHEM-6076588053 [0,0,0,1,1,0|2,0,0]=4 205 B14R1.3709 CCOC(=O)CCC(=O)NC1CCC1 AIFCHEM-94537769175 [0,0,0,1,1,0|1,0,0]=3 206 B14R1.3709 CCOC(=O)CNC(=O)CN1CCC1 AIFCHEM-5663754597 [0,0,0,1,1,0|2,0,0]=4 207 B14R1.3710 CCOC(=O)CNC(=O)CCC1CC1 AIFCHEM-5655813195 [0,0,0,1,1,0|1,0,0]=3 208 B16R1.916 CCOC(=O)CCCNC(C)C1CCCC1 AIFCHEM-5973490270 [0,0,0,1,0,1|1,0,1]=4 209 B16R1.15155 CCOC(=O)CCCCC(=O)NC1COC1 AIFCHEM-94539442869 [0,0,0,1,0,1|2,0,0]=4 210 B16R1.15155 CCOC(=O)CCCNC(=O)CN1CCC1 AIFCHEM-5907393329 [0,0,0,1,0,1|1,0,0]=3 211 B16R1.15156 CCOC(=O)CCCCC(=O)NCC1CC1 AIFCHEM-94540969600 [0,0,0,1,0,1|1,0,0]=3 212 B16R1.91316 CCOC(=O)CCNC1C(CCCC1C)C AIFCHEM-6074503996 [0,0,0,1,0,1|1,0,1]=4 213 B16R1.929 CCCC(=O)CCCC(=O)N1CCSCC1 AIFCHEM-6009955548 [0,1,0,1,0,0|2,0,0]=4 214 B16R1.929 CCOC(=O)CCCN(C)C1CCCCC1 AIFCHEM-94601797933 [0,1,0,1,0,0|2,0,0]=4 215 B16R1.929 CCOC(=O)CCNC(=O)C1CCCCO1 AIFCHEM-6074541309 [0,1,0,1,0,0|1,0,0]=3 216 B16R1.929 CCOC(=O)CCNC(=O)C1CCSCC1 AIFCHEM-6038585744 [0,1,0,1,0,0|1,0,0]=3 217 B16R1.929 CCOC(=O)CCNC(=O)C1SCCCS1 AIFCHEM-6057280597 [0,1,0,1,0,0|2,0,0]=4 218 B16R1.1544 CCOC(=O)CCCC(=O)NC1CCCC1 AIFCHEM-94542379847 [0,1,0,1,0,0|0,0,0]=2 219 B16R1.1544 CCOC(=O)CCCC(=O)NC1CCOC1 AIFCHEM-94559755732 [0,1,0,1,0,0|1,0,0]=3 220 B16R1.1544 CCOC(=O)CCCC(=O)N[C@@H]1CCOC1 AIFCHEM-94564369111 [0,1,0,1,0,0|1,0,0]=3 221 B16R1.1544 CCOC(=O)CCCC(=O)N[C@H]1CCOC1 AIFCHEM-5813379756 [0,1,0,1,0,0|1,0,0]=3 222 B16R1.1544 CCOC(=O)CCNC(=O)CC1CCCO1 AIFCHEM-6037648439 [0,1,0,1,0,0|1,0,0]=3 223 B16R1.2112 CCOC(=O)CCCC(C)NCC1CCC1 AIFCHEM-94560927571 [0,1,0,1,0,0|1,0,1]=4 224 B16R1.4593 CCSCCNC(=O)CCN1CCOC1=O AIFCHEM-94566129447 [0,1,0,1,0,0|2,0,0]=4 225 B16R1.15191 CCOC(=O)CCCC(C)N1CCCC1C AIFCHEM-94560931095 [0,1,0,1,0,0|1,0,1]=4 226 B16R1.15191 CCOC(=O)CCCC(C)N1CCC[C@@H]1C AIFCHEM-94560922679 [0,1,0,1,0,0|1,0,1]=4 227 B16R1.15191 CCOC(=O)CCCC(C)N1CCC[C@H]1C AIFCHEM-94560920607 [0,1,0,1,0,0|1,0,1]=4 228 B16R1.26545 CCCCOCC(=O)N1CCCC(=O)CC1 AIFCHEM-5676617870 [0,1,0,1,0,0|2,0,0]=4 229 B16R1.26545 O=C1CCN(CCN1)C(=O)CCCCCO AIFCHEM-94519752180 [0,1,0,1,0,0|2,0,0]=4 230 B16R1.26599 CCOC(=O)[C@@H]1C[C@H]1C(=O)NCCCOC AIFCHEM-94598897249 [0,1,0,1,0,0|1,0,0]=3 231 B16R1.928 CCOC(=O)CCCC(=O)N1CCC(C1)C AIFCHEM-5613971494 [0,1,0,1,0,0|1,0,0]=3 232 B16R1.928 CCOC(=O)CCCC(=O)N1CCC(C1)F AIFCHEM-6138674017 [0,1,0,1,0,0|1,0,0]=3 233 B16R1.928 CCOC(=O)CCCC(=O)N1CC[C@@H](C1)C AIFCHEM-5657920138 [0,1,0,1,0,0|1,0,0]=3 234 B16R1.928 CCOC(=O)CCCC(=O)N1CC[C@@H](C1)F AIFCHEM-5625321005 [0,1,0,1,0,0|1,0,0]=3 235 B16R1.928 CCOC(=O)CCCC(=O)N1CC[C@H](C1)C AIFCHEM-5854959322 [0,1,0,1,0,0|1,0,0]=3 236 B16R1.928 CCOC(=O)CCCC(=O)N1CC[C@H](C1)F AIFCHEM-5602241665 [0,1,0,1,0,0|1,0,0]=3 237 B16R1.928 CCOC(=O)CCNC(=O)C1CCC(C1)C AIFCHEM-6038982100 [0,1,0,1,0,0|1,0,0]=3 238 B16R1.928 CCOC(=O)CCNC(=O)[C@@H]1CCC(=O)C1 AIFCHEM-6038918013 [0,1,0,1,0,0|1,0,1]=4 239 B16R1.928 CCOC(=O)CCNC(=O)[C@H]1CCC(=O)C1 AIFCHEM-6038417036 [0,1,0,1,0,0|1,0,1]=4 240 B16R1.15507 CCOC(=O)CCCC(=O)N(C)CC1CC1 AIFCHEM-94594896460 [0,1,0,1,0,0|1,0,0]=3 241 B16R1.15507 CCOC(=O)CCNC(=O)[C@H](O)CC1CC1 AIFCHEM-6074701276 [0,1,0,1,0,0|1,0,0]=3 242 B16R1.40265 CCCCC(C)C(=O)N1CCCC(=O)CC1 AIFCHEM-5642653189 [0,1,0,1,0,0|2,0,0]=4 243 B16R1.40318 CCOC(=O)[C@@H]1C[C@H]1C(=O)N(C)CCOC AIFCHEM-6019314092 [0,1,0,1,0,0|2,0,0]=4 244 B16R1.15193 CCCC(=O)CCCC(=O)NC1CC(C1)C AIFCHEM-6141000424 [0,1,0,1,0,0|2,0,0]=4 245 B16R1.69867 CCOC(=O)CCCC(=O)NC1(CCC1)C AIFCHEM-6270927759 [0,1,0,1,0,0|1,0,0]=3 246 B16R1.1533 CCOC(=O)CCN(C)C(=O)C1CCCC1 AIFCHEM-5975261508 [0,1,0,1,0,0|1,0,0]=3 247 B16R1.3563 CCCCCC(=O)N1CC(C1)C(=O)OCC AIFCHEM-94585553374 [0,1,0,1,0,0|1,0,0]=3 248 B16R1.21850 CCCCCC(=O)N1CCC(=O)N(CC1)C AIFCHEM-94585552528 [0,1,0,1,0,0|2,0,0]=4 249 B16R1.40119 CCC(C)CCC(=O)N1CCCC(=O)CC1 AIFCHEM-5675348121 [0,1,0,1,0,0|2,0,0]=4 250 B16R1.68923 CCOC(=O)[C@@H]1C[C@H]1C(=O)NCC(C)CC AIFCHEM-94534481369 [0,1,0,1,0,0|1,0,0]=3 251 B16R1.1481 CCCNC(=O)CCCC(=O)N1CCCC1 AIFCHEM-94521379277 [0,1,0,1,0,0|2,0,0]=4 252 B16R2.253 O=C1CC(CCN1)NC(=O)C2CCCC2 AIFCHEM-5800313034 [0,0,0,2,0,0|2,0,0]=4 253 B16R2.11918 C[C@@H]1C[C@H]1NC(=O)CC2CCCC(=O)C2 AIFCHEM-94559017715 [0,0,0,2,0,0|2,0,0]=4 254 B16R2.14525 O=C1CCN(CCN1)C(=O)C2CCCC2 AIFCHEM-94519756572 [0,0,0,2,0,0|2,0,0]=4 255 B16R2.92353 O=C(CCN1CCOC1=O)NC2CCC2 AIFCHEM-94537777521 [0,0,0,2,0,0|2,0,0]=4 256 B16R2.160469 CCOC(=O)[C@@H]1C[C@H]1C(=O)NCC2CC2 AIFCHEM-94592480251 [0,0,0,2,0,0|1,0,0]=3 257 B16R2.433540 CCOC(=O)[C@@H]1C[C@H]1C(=O)NC2CSC2 AIFCHEM-5972035154 [0,0,0,2,0,0|2,0,0]=4 258 B16R2.159673 CCOC(=O)CCNC(=O)C1CC12CC2 AIFCHEM-6057227811 [0,0,0,2,0,0|1,0,0]=3 259 B16R2.159673 CCOC(=O)CCNC(=O)[C@H]1CC12CC2 AIFCHEM-6038505899 [0,0,0,2,0,0|1,0,0]=3 260 B16R2.159253 CCOC(=O)CC1CN(C1)CC2CCC2 AIFCHEM-94567988741 [0,0,0,2,0,0|2,0,0]=4 261 B12R0.101 CCCCC(=O)NCC(=O)OCC AIFCHEM-94534109690 [1,0,0,0,1,0|1,0,0]=3 262 B12R0.101 CCOC(=O)CNC(=O)CCOC AIFCHEM-5593292951 [1,0,0,0,1,0|2,0,0]=4 263 B12R0.142 CCCCCC(=O)NCC(=O)CC AIFCHEM-94585545762 [1,0,0,0,1,0|1,0,0]=3 264 B12R0.142 CCCCNC(=O)CNC(=O)OC AIFCHEM-5696124669 [1,0,0,0,1,0|2,0,0]=4 265 B16R0.299 CC/C=C/CC(=O)NCCCCC(=O)OCC AIFCHEM-6175834693 [0,0,0,0,0,2|0,0,2]=4 266 B16R0.299 CCCCCC(=O)NCCCCC(=O)OCC AIFCHEM-94585552221 [0,0,0,0,0,2|0,0,0]=2 267 B16R0.299 CCCCCC(C)NCCCCC(=O)OCC AIFCHEM-94564407586 [0,0,0,0,0,2|1,0,1]=4 268 B16R0.299 CCCCCN(C)CCCCCC(=O)OCC AIFCHEM-6102856779 [0,0,0,0,0,2|2,0,0]=4 269 B16R0.299 CCCOCC(=O)NCCCCC(=O)OCC AIFCHEM-6154697753 [0,0,0,0,0,2|1,0,0]=3 270 B16R0.299 CCOC(=O)CCCCCC(=O)NCCSC AIFCHEM-5865821464 [0,0,0,0,0,2|2,0,0]=4