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[0,1,0,0,0,0|2,0,1]=4 14 B13R0.1 CN(CCCC(=O)O)CCOCCO AIFCHEM-94596084630 [0,1,0,0,0,0|3,0,0]=4 15 B13R0.1 COCCCNC(=O)CCCC(=O)C AIFCHEM-94598897230 [0,1,0,0,0,0|2,0,0]=3 16 B13R0.1 COCCCNC(=O)COCC(=O)N AIFCHEM-5592462304 [0,1,0,0,0,0|3,0,0]=4 17 B13R0.1 CSCCCNC(=O)CCCC(=O)C AIFCHEM-94529062071 [0,1,0,0,0,0|2,0,0]=3 18 B13R0.1 CSCCCNC(C)CCCC(=O)O AIFCHEM-94529053589 [0,1,0,0,0,0|2,0,1]=4 19 B13R0.194 CCC(=O)CCCC(=O)NCCOC AIFCHEM-94552433272 [0,1,0,0,0,0|3,0,0]=4 20 B13R0.194 CCCCNC(=O)CCCC(=O)CC AIFCHEM-94552440628 [0,1,0,0,0,0|2,0,0]=3 21 B13R0.194 CCCCNC(=O)CCCC(=O)OC AIFCHEM-5693350657 [0,1,0,0,0,0|1,0,0]=2 22 B13R0.196 CCCCCC(=O)NCCS(=O)(=O)O AIFCHEM-94585545673 [0,1,0,0,0,0|2,0,0]=3 23 B13R0.196 CCCCNC(=O)CCCS(=O)(=O)N AIFCHEM-94557518172 [0,1,0,0,0,0|2,0,1]=4 24 B13R0.196 CCCOCC(=O)NCCS(=O)(=O)O AIFCHEM-5783793682 [0,1,0,0,0,0|3,0,0]=4 25 B13R0.345 CCCCC(C)C(=O)NCCC(=O)C AIFCHEM-6218803003 [0,1,0,0,0,0|2,0,0]=3 26 B13R0.493 CCC(C)CNC(=O)CCNC(=O)C AIFCHEM-94534481279 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CC(=O)NCCC(=O)N1CCCC1 AIFCHEM-94535598622 [0,0,0,1,0,0|3,0,0]=4 40 B13R1.658 CCCCCN1CCC(C1)C(=O)N AIFCHEM-94551435523 [0,0,0,1,0,0|3,0,0]=4 41 B13R1.658 CCCCCN1CCC(C1)C(=O)O AIFCHEM-94551439082 [0,0,0,1,0,0|2,0,0]=3 42 B13R1.658 CCCCCN1CC[C@@H](C1)C(=O)O AIFCHEM-94551436335 [0,0,0,1,0,0|2,0,0]=3 43 B13R1.658 CCCCCN1CC[C@H](C1)C(=O)O AIFCHEM-94551436336 [0,0,0,1,0,0|2,0,0]=3 44 B13R1.1047 CC(=O)CCCC(=O)NC1CCC1 AIFCHEM-94537773835 [0,0,0,1,0,0|2,0,0]=3 45 B13R1.1047 CC(CCCC(=O)O)NC1CCC1 AIFCHEM-5687998363 [0,0,0,1,0,0|2,0,1]=4 46 B13R1.1048 CC(=O)CCNC(=O)CCC1CC1 AIFCHEM-6193925774 [0,0,0,1,0,0|2,0,0]=3 47 B13R1.1048 CC(=O)SCCC(=O)NCC1CC1 AIFCHEM-5888959354 [0,0,0,1,0,0|3,0,0]=4 48 B13R1.1048 CC(CCCC(=O)O)NCC1CC1 AIFCHEM-94592471750 [0,0,0,1,0,0|2,0,1]=4 49 B13R1.3699 CC(CCCC(=O)O)N1CCC1C AIFCHEM-6128050730 [0,0,0,1,0,0|2,0,1]=4 50 B13R1.3699 CC(CCCC(=O)O)N1CC[C@@H]1C AIFCHEM-5760278976 [0,0,0,1,0,0|2,0,1]=4 51 B13R1.3699 CC(CCCC(=O)O)N1CC[C@H]1C AIFCHEM-6261044650 [0,0,0,1,0,0|2,0,1]=4 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O=COCNC(=O)C1CCCC1 AIFCHEM-94595114979 [1,0,0,1,0,0|2,0,0]=4 118 B12R1.29 CCCNC(=O)[C@@H]1CNC(=O)O1 AIFCHEM-94521380666 [1,0,0,1,0,0|2,0,0]=4 119 B12R1.462 CCCNC(=O)CC1CC(=O)C1 AIFCHEM-5853495189 [1,0,0,1,0,0|2,0,0]=4 120 B12R1.1357 NC(=O)CCNC(=O)C1CCC1 AIFCHEM-94572523167 [1,0,0,1,0,0|2,0,0]=4 121 B12R1.1359 CC(=O)CCNC(=O)CC1CC1 AIFCHEM-6194525074 [1,0,0,1,0,0|2,0,0]=4 122 B12R1.1359 CN(CCCC(=O)O)CC1CC1 AIFCHEM-94596084147 [1,0,0,1,0,0|2,0,0]=4 123 B12R1.75 CCN1CCCCC1CC(=O)O AIFCHEM-94537417690 [1,0,0,1,0,0|1,0,1]=4 124 B12R1.255 NC(=O)CCCNC1CCCC1 AIFCHEM-94541520042 [1,0,0,1,0,0|2,0,0]=4 125 B12R1.255 O=C(O)CCNCC1CCCC1 AIFCHEM-5845910100 [1,0,0,1,0,0|1,0,1]=4 126 B12R1.257 NC(=O)CCCNCC1CCC1 AIFCHEM-5938747486 [1,0,0,1,0,0|2,0,0]=4 127 B12R1.522 CCCCCN1CCC1C(=O)O AIFCHEM-94551430732 [1,0,0,1,0,0|1,0,0]=3 128 B12R1.522 CCCCCN1CC[C@@H]1C(=O)O AIFCHEM-94551436850 [1,0,0,1,0,0|1,0,0]=3 129 B12R1.522 CCCCCN1CC[C@H]1C(=O)O AIFCHEM-94551429848 [1,0,0,1,0,0|1,0,0]=3 130 B12R1.147 CC(=O)CCC(=O)N[C@@H]1C[C@H]1C AIFCHEM-94559013153 [0,0,0,1,1,0|2,0,0]=4 131 B12R1.551 CC(=O)CNC(=O)CC1CCC1 AIFCHEM-6038726956 [0,0,0,1,1,0|2,0,0]=4 132 B14R1.20 CCCCNC(=O)C1CCNC(=O)C1 AIFCHEM-5695841659 [0,0,0,1,0,1|2,0,0]=4 133 B14R1.148 C[C@@H]1CCCC(C1)NCCCC(=O)O AIFCHEM-94588390319 [0,0,0,1,0,1|1,0,1]=4 134 B14R1.418 CC(=O)OCCNC(=O)C1CCCC1 AIFCHEM-5607131522 [0,0,0,1,0,1|2,0,0]=4 135 B14R1.418 O=C(O)NCCNC(=O)C1CCCC1 AIFCHEM-94535754949 [0,0,0,1,0,1|1,0,0]=3 136 B14R1.418 O=C(O)NCCNC(=O)C1CCOC1 AIFCHEM-94535758628 [0,0,0,1,0,1|2,0,0]=4 137 B14R1.418 O=C(O)NCCNC(=O)[C@@H]1CCOC1 AIFCHEM-94535757253 [0,0,0,1,0,1|2,0,0]=4 138 B14R1.418 O=C(O)NCCNC(=O)[C@H]1CCOC1 AIFCHEM-94535752458 [0,0,0,1,0,1|2,0,0]=4 139 B14R1.886 CCCCCN1CCC(C1)CC(=O)O AIFCHEM-94551437117 [0,0,0,1,0,1|2,0,0]=4 140 B14R1.899 CCCCCN1CCOC(C1)C(=O)O AIFCHEM-94605797917 [0,0,0,1,0,1|2,0,0]=4 141 B14R1.899 CCCCCN1CCO[C@@H](C1)C(=O)O AIFCHEM-94601026195 [0,0,0,1,0,1|2,0,0]=4 142 B14R1.899 CCCCCN1CCO[C@H](C1)C(=O)O AIFCHEM-94551424853 [0,0,0,1,0,1|2,0,0]=4 143 B14R1.1039 CCCCNC(=O)CCC1CC(=O)C1 AIFCHEM-5736516994 [0,0,0,1,0,1|2,0,0]=4 144 B14R1.1039 CCCOCC(=O)NCC1CC(=O)C1 AIFCHEM-5696142587 [0,0,0,1,0,1|2,0,0]=4 145 B14R1.6343 O=C(O)CCCNC1CCCCCC1 AIFCHEM-94529614221 [0,0,0,1,0,1|1,0,1]=4 146 B14R1.6366 O=C(O)NCCNC(=O)CC1COC1 AIFCHEM-94535751228 [0,0,0,1,0,1|2,0,0]=4 147 B14R1.6367 CC(=O)CCCCC(=O)NCC1CC1 AIFCHEM-94592480233 [0,0,0,1,0,1|2,0,0]=4 148 B14R1.6367 CC(=O)NCCCC(=O)NCC1CC1 AIFCHEM-94592480162 [0,0,0,1,0,1|2,0,0]=4 149 B14R1.37 CCCCCNC(=O)C1CCC(=O)C1 AIFCHEM-94522665975 [0,1,0,1,0,0|1,0,0]=3 150 B14R1.37 CCCCCNC(=O)C1CCC(=O)N1 AIFCHEM-94522658761 [0,1,0,1,0,0|1,0,0]=3 151 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)C1 AIFCHEM-94522657984 [0,1,0,1,0,0|1,0,0]=3 152 B14R1.37 CCCCCNC(=O)[C@@H]1CCC(=O)N1 AIFCHEM-94552833540 [0,1,0,1,0,0|1,0,0]=3 153 B14R1.37 CCCCCNC(=O)[C@@H]1CNC(=O)O1 AIFCHEM-94552832348 [0,1,0,1,0,0|1,0,0]=3 154 B14R1.37 CCCCCNC(=O)[C@@H]1CSC(=O)N1 AIFCHEM-94552827543 [0,1,0,1,0,0|2,0,0]=4 155 B14R1.37 CCCCCNC(=O)[C@H]1CCC(=O)C1 AIFCHEM-94522664311 [0,1,0,1,0,0|1,0,0]=3 156 B14R1.37 CCCCCNC(=O)[C@H]1CCC(=O)N1 AIFCHEM-94552829842 [0,1,0,1,0,0|1,0,0]=3 157 B14R1.37 CSCCCNC(=O)[C@@H]1CNC(=O)O1 AIFCHEM-94529065355 [0,1,0,1,0,0|2,0,0]=4 158 B14R1.220 CCCCCNC1CCC(C1)C(=O)O AIFCHEM-94601240663 [0,1,0,1,0,0|1,0,1]=4 159 B14R1.220 CCCCCNC1CC[C@@H](C1)C(=O)O AIFCHEM-94522655244 [0,1,0,1,0,0|1,0,1]=4 160 B14R1.220 CCCCCNC1CC[C@H](C1)C(=O)O AIFCHEM-94552818416 [0,1,0,1,0,0|1,0,1]=4 161 B14R1.220 CCCCCN[C@@H]1CC[C@@H](C1)C(=O)O AIFCHEM-94551436256 [0,1,0,1,0,0|1,0,1]=4 162 B14R1.220 CCCCCN[C@@H]1CC[C@H](C1)C(=O)O AIFCHEM-94567617040 [0,1,0,1,0,0|1,0,1]=4 163 B14R1.220 CCCCCN[C@H]1CC[C@H](C1)C(=O)O AIFCHEM-94551433603 [0,1,0,1,0,0|1,0,1]=4 164 B14R1.420 CC(=O)CCNC(=O)C1CCCOC1 AIFCHEM-6194872997 [0,1,0,1,0,0|2,0,0]=4 165 B14R1.420 CC(=O)CCNC(=O)C1CCSCC1 AIFCHEM-6235065329 [0,1,0,1,0,0|2,0,0]=4 166 B14R1.420 CC(=O)CCNC(=O)[C@H]1CCCOC1 AIFCHEM-6218524870 [0,1,0,1,0,0|2,0,0]=4 167 B14R1.420 CC(=O)NCCC(=O)N1CCCCC1 AIFCHEM-94535592193 [0,1,0,1,0,0|2,0,0]=4 168 B14R1.420 CN(CCCC(=O)O)C1CCOCC1 AIFCHEM-94596085734 [0,1,0,1,0,0|2,0,0]=4 169 B14R1.760 CCCCN1CC(=O)NCC1C(=O)O AIFCHEM-94523033835 [0,1,0,1,0,0|1,0,0]=3 170 B14R1.760 CCCCN1C[C@@H](CC[C@H]1C(=O)O)O AIFCHEM-94523042026 [0,1,0,1,0,0|0,0,2]=4 171 B14R1.760 CCCCN1C[C@H](CC[C@H]1C(=O)O)O AIFCHEM-94525602228 [0,1,0,1,0,0|0,0,2]=4 172 B14R1.1469 CC(=O)CCCC(=O)NCC1CCC1 AIFCHEM-5699085235 [0,1,0,1,0,0|1,0,0]=3 173 B14R1.1469 CC(=O)SCCC(=O)NCC1CCC1 AIFCHEM-94536874242 [0,1,0,1,0,0|2,0,0]=4 174 B14R1.1470 CC(=O)SCCC(=O)NCCC1CC1 AIFCHEM-5784326487 [0,1,0,1,0,0|2,0,0]=4 175 B14R1.1470 CC(CCCC(=O)O)NCCC1CC1 AIFCHEM-5715952760 [0,1,0,1,0,0|1,0,1]=4 176 B14R1.4488 CC(=O)CCCC(=O)N1CCCC1C AIFCHEM-5763140897 [0,1,0,1,0,0|1,0,0]=3 177 B14R1.4488 CC(=O)CCCC(=O)N1CCC[C@@H]1C AIFCHEM-94569872626 [0,1,0,1,0,0|1,0,0]=3 178 B14R1.4488 CC(=O)CCCC(=O)N1CCC[C@H]1C AIFCHEM-6034870124 [0,1,0,1,0,0|1,0,0]=3 179 B14R1.4488 CC(=O)CCNC(=O)C1CCCN1C AIFCHEM-94583572223 [0,1,0,1,0,0|2,0,0]=4 180 B14R1.4488 CC(=O)CCNC(=O)[C@@H]1CCCN1C AIFCHEM-6194497634 [0,1,0,1,0,0|2,0,0]=4 181 B14R1.4488 CC(=O)CCNC(=O)[C@H]1CCCN1C AIFCHEM-94566556364 [0,1,0,1,0,0|2,0,0]=4 182 B14R1.4488 CC1CCCN1C(=O)COCC(=O)N AIFCHEM-94592642986 [0,1,0,1,0,0|2,0,0]=4 183 B14R1.4488 C[C@@H]1CCCN1C(=O)COCC(=O)N AIFCHEM-6077938014 [0,1,0,1,0,0|2,0,0]=4 184 B14R1.4488 C[C@H]1CCCN1C(=O)COCC(=O)N AIFCHEM-5642983655 [0,1,0,1,0,0|2,0,0]=4 185 B14R1.5888 CC(=O)CCCC(=O)NC[C@@H]1C[C@H]1C AIFCHEM-94599425090 [0,1,0,1,0,0|1,0,0]=3 186 B14R1.19 CCCCNC(=O)C1CCC(=O)NC1 AIFCHEM-94570980194 [0,1,0,1,0,0|2,0,0]=4 187 B14R1.729 COC(=O)CCNC(=O)C1CCCC1 AIFCHEM-6130472649 [0,1,0,1,0,0|1,0,0]=3 188 B14R1.888 CCCCCN1CCC(C1)C(=O)OC AIFCHEM-94551439261 [0,1,0,1,0,0|2,0,0]=4 189 B14R1.888 CCCCCN1CC[C@@H](C1)C(=O)OC AIFCHEM-94551423657 [0,1,0,1,0,0|2,0,0]=4 190 B14R1.888 CCCCCN1CC[C@H](C1)C(=O)OC AIFCHEM-94592519008 [0,1,0,1,0,0|2,0,0]=4 191 B14R1.3022 CCCCNC(=O)C1CCC(=O)N1C AIFCHEM-5745387770 [0,1,0,1,0,0|2,0,0]=4 192 B14R1.3022 CCCCNC(=O)[C@@H]1CCC(=O)N1C AIFCHEM-5726249953 [0,1,0,1,0,0|2,0,0]=4 193 B14R1.7739 CCC(=O)CCCC(=O)N1CCC1C AIFCHEM-94552433612 [0,1,0,1,0,0|2,0,0]=4 194 B14R1.7739 CCC(=O)CCCC(=O)N1CC[C@@H]1C AIFCHEM-94552445703 [0,1,0,1,0,0|2,0,0]=4 195 B14R1.7739 CCC(=O)CCCC(=O)N1CC[C@H]1C AIFCHEM-94552444191 [0,1,0,1,0,0|2,0,0]=4 196 B14R1.6458 O=C(NCCS(=O)(=O)O)C1CCCC1 AIFCHEM-5744782199 [0,1,0,1,0,0|2,0,0]=4 197 B14R1.5035 CC(C)CCCC(=O)NC1CC(=O)C1 AIFCHEM-5968971750 [0,1,0,1,0,0|2,0,0]=4 198 B14R1.165 COCCN(C)C(=O)C1CCC(=O)O1 AIFCHEM-6044520983 [0,1,0,1,0,0|2,0,0]=4 199 B14R1.165 COCCN(C)C(=O)[C@H]1CCC(=O)O1 AIFCHEM-6084062578 [0,1,0,1,0,0|2,0,0]=4 200 B14R1.4268 CC(=O)CCCC(=O)N1CCC(C1)F AIFCHEM-6137257341 [0,1,0,1,0,0|2,0,0]=4 201 B14R1.4268 CC(=O)CCCC(=O)N1CC[C@@H](C1)F AIFCHEM-5634420705 [0,1,0,1,0,0|2,0,0]=4 202 B14R1.4268 CC(=O)CCCC(=O)N1CC[C@H](C1)F AIFCHEM-5656736245 [0,1,0,1,0,0|2,0,0]=4 203 B14R1.4268 CC(=O)CCNC(=O)C1CCC(=O)O1 AIFCHEM-6218635752 [0,1,0,1,0,0|1,0,1]=4 204 B14R1.4268 CC(=O)CCNC(=O)[C@@H]1CCC(=O)O1 AIFCHEM-6193343560 [0,1,0,1,0,0|1,0,1]=4 205 B14R1.4268 CC(=O)CCNC(=O)[C@H]1CCC(=O)O1 AIFCHEM-6194734381 [0,1,0,1,0,0|1,0,1]=4 206 B14R1.4268 CC(C)CCNC(=O)C1CCC(=O)N1 AIFCHEM-6135914742 [0,1,0,1,0,0|2,0,0]=4 207 B14R1.4268 CC(C)CCNC(=O)[C@@H]1CCC(=O)N1 AIFCHEM-6098918315 [0,1,0,1,0,0|2,0,0]=4 208 B14R1.4268 CC(C)CCNC(=O)[C@H]1CCC(=O)N1 AIFCHEM-6121562101 [0,1,0,1,0,0|2,0,0]=4 209 B14R1.4268 O=C1CCC(O1)C(=O)NCCC(F)F AIFCHEM-6214916466 [0,1,0,1,0,0|2,0,0]=4 210 B14R1.4268 O=C1CC[C@@H](O1)C(=O)NCCC(F)F AIFCHEM-6213185336 [0,1,0,1,0,0|2,0,0]=4 211 B14R1.4268 O=C1CC[C@H](O1)C(=O)NCCC(F)F AIFCHEM-6231571075 [0,1,0,1,0,0|2,0,0]=4 212 B14R1.4477 CCCCC(C)C(=O)NC1CC(=O)C1 AIFCHEM-5952644963 [0,1,0,1,0,0|2,0,0]=4 213 B14R1.162 CCC(F)CNC(=O)C1CCC(=O)N1 AIFCHEM-5870309461 [0,1,0,1,0,0|2,0,0]=4 214 B14R1.162 CCC(F)CNC(=O)[C@@H]1CCC(=O)N1 AIFCHEM-5870288513 [0,1,0,1,0,0|2,0,0]=4 215 B14R1.162 CCC(F)CNC(=O)[C@@H]1CNC(=O)O1 AIFCHEM-5821659491 [0,1,0,1,0,0|2,0,0]=4 216 B14R1.162 CCC(F)CNC(=O)[C@H]1CCC(=O)N1 AIFCHEM-5879518205 [0,1,0,1,0,0|2,0,0]=4 217 B14R1.4462 CCC(C)CNC(=O)CC1CC(=O)C1 AIFCHEM-94534478921 [0,1,0,1,0,0|2,0,0]=4 218 B14R2.4375 CC1CCN1C(=O)[C@@H]2CNC(=O)O2 AIFCHEM-6128964934 [0,0,0,2,0,0|2,0,0]=4 219 B14R2.4375 C[C@@H]1CCN1C(=O)[C@@H]2CNC(=O)O2 AIFCHEM-6275497775 [0,0,0,2,0,0|2,0,0]=4 220 B14R2.4375 C[C@H]1CCN1C(=O)[C@@H]2CNC(=O)O2 AIFCHEM-5752262288 [0,0,0,2,0,0|2,0,0]=4 221 B14R2.4396 O=C1CC[C@@H](O1)C(=O)NCC2CC2 AIFCHEM-5888617070 [0,0,0,2,0,0|1,0,0]=3 222 B14R2.4396 O=C1CC[C@H](O1)C(=O)NCC2CC2 AIFCHEM-94592479137 [0,0,0,2,0,0|1,0,0]=3 223 B14R2.4396 O=C1NC[C@H](O1)C(=O)NCC2CC2 AIFCHEM-5974379236 [0,0,0,2,0,0|2,0,0]=4 224 B14R2.20661 O=C1CCC(C1)C(=O)NC2CCC2 AIFCHEM-5766014627 [0,0,0,2,0,0|2,0,0]=4 225 B14R2.20661 O=C1CCN(C1)C(=O)CC2CCC2 AIFCHEM-5857937495 [0,0,0,2,0,0|2,0,0]=4 226 B14R2.20661 O=C1CC[C@@H](C1)C(=O)NC2CCC2 AIFCHEM-5738793347 [0,0,0,2,0,0|2,0,0]=4 227 B14R2.20661 O=C1CC[C@H](C1)C(=O)NC2CCC2 AIFCHEM-5739383736 [0,0,0,2,0,0|2,0,0]=4 228 B14R0.231 CCCOCC(=O)NCCCCC(=O)N AIFCHEM-5956120813 [0,0,0,0,0,2|2,0,0]=4