0 B13R0.54 CCCCCCCCCCCC(=O)O C02679 [0,0,0,0,0,0|0,0,0]=0 1 B13R0.54 CCCCCCCCCCCC(N)=O C13831 [0,0,0,0,0,0|1,0,0]=1 2 B13R0.54 CCCCCCCCC\C=C/C(=O)O C21202 [0,0,0,0,0,0|0,0,2]=2 3 B13R0.54 NCCCCCCCCCCC(=O)O C19325 [0,0,0,0,0,0|1,0,0]=1 4 B12R0.5 CCCCCCCCCCCC=O C02278 [1,0,0,0,0,0|0,0,0]=1 5 B12R0.5 CCCCCCCCCCCCC C13834 [1,0,0,0,0,0|1,0,1]=3 6 B12R0.5 CCCCCCCCCCCCO C02277 [1,0,0,0,0,0|0,0,1]=2 7 B12R0.5 CSCCCCCCCC\C=N\O C17253 [1,0,0,0,0,0|2,0,1]=4 8 B12R0.234 C=CCCCCCCCCC(=O)O C13910 [1,0,0,0,0,0|0,0,2]=3 9 B12R0.234 CCCCCCCCCCC(=O)O C17715 [1,0,0,0,0,0|0,0,0]=1 10 B12R0.234 O=C(O)CCCCCCCCCO C02774 [1,0,0,0,0,0|1,0,0]=2 11 B12R0.234 O=CCCCCCCCCC(=O)O C02217 [1,0,0,0,0,0|1,0,1]=3 12 B14R0.68 CC(C)CCCCCCC\C=C/C(=O)O C18206 [0,1,0,0,0,0|0,0,2]=3 13 B14R0.231 CCCCCC(O)CCCCCC(=O)O C21080 [0,1,0,0,0,0|0,0,0]=1 14 B14R0.337 [*]SC(=O)CCCCCCCCCCC C05223 [0,1,0,0,0,0|0,1,0]=2 15 B14R0.337 [*]SC(=O)CCC\C=C/CCCCCC C20794 [0,1,0,0,0,0|0,1,2]=4 16 B14R0.337 [*]SC(=O)\C=C\CCCCCCCCC C05758 [0,1,0,0,0,0|0,1,2]=4 17 B14R0.340 CSCCCCCCCCC(=O)C(=O)O C17232 [0,1,0,0,0,0|1,0,1]=3 18 B14R0.340 CSCCCCCCCC[C@@H](N)C(=O)O C17233 [0,1,0,0,0,0|1,0,0]=2 19 B14R0.391 CCCCCCCCCC(=O)CC(=O)O C02367 [0,1,0,0,0,0|0,0,1]=2 20 B14R0.394 CCCCCCCCCCCCC(=O)O C17076 [0,1,0,0,0,0|0,0,0]=1 21 B14R0.394 O=C(O)CCCCCCCCCCCO C08317 [0,1,0,0,0,0|0,0,0]=1 22 B14R0.394 O=CC\C=C/CCCCCCCC(=O)O C16311 [0,1,0,0,0,0|0,0,3]=4 23 B14R0.394 O=C\C=C\CCCCCCCCC(=O)O C16309 [0,1,0,0,0,0|0,0,3]=4 24 B11R0.3 CCCCCCCCCCCC C08374 [2,0,0,0,0,0|0,0,1]=3 25 B11R0.3 CCCCCCCCSCCO C18863 [2,0,0,0,0,0|1,0,0]=3 26 B11R0.148 CCCCCCCCCC(=O)O C01571 [2,0,0,0,0,0|0,0,0]=2 27 B11R0.148 CCCCCCCCCC(C)=O C01875 [2,0,0,0,0,0|1,0,0]=3 28 B11R0.148 O=CCCCCCCCC(=O)O C16322 [2,0,0,0,0,0|1,0,1]=4 29 B13R0.2 CCCCCCCCCC(=O)CC=O C16947 [1,1,0,0,0,0|0,0,1]=3 30 B13R0.336 CCCCCCCCCCCCCO C14509 [1,1,0,0,0,0|0,0,1]=3 31 B13R0.150 CSCCCCCCCC(=O)C(=O)O C17228 [1,1,0,0,0,0|1,0,1]=4 32 B13R0.150 CSCCCCCCC[C@@H](N)C(=O)O C17229 [1,1,0,0,0,0|1,0,0]=3 33 B13R0.179 O=C(O)CCCCCCCCC(=O)O C08277 [1,1,0,0,0,0|1,0,1]=4 34 B15R0.84 CCCCCCCCCCC[C@H](N)C(=O)O C13795 [0,2,0,0,0,0|0,0,0]=2 35 B15R0.3221 [*]SC(=O)CC(=O)CCCCCCCCC C05756 [0,2,0,0,0,0|0,1,1]=4 36 B15R0.3221 [*]SC(=O)C[C@H](O)CCCCCCCCC C05757 [0,2,0,0,0,0|0,1,0]=3 37 B15R0.164 CCCCCCCCCCCCCC(=O)O C06424 [0,2,0,0,0,0|0,0,0]=2 38 B15R0.164 CCCCCCCCCCCCNC(=N)N C18723 [0,2,0,0,0,0|2,0,0]=4 39 B15R0.164 CCCC\C=C/CCCCCCCC(=O)O C08322 [0,2,0,0,0,0|0,0,0]=2 40 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O C02678 [0,2,0,0,0,0|0,0,1]=3 41 B13R1.279 O=C1CCCCCCCCCCO1 C13823 [1,0,0,1,0,0|1,0,0]=3 42 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 C08571 [1,0,0,1,0,0|0,0,0]=2 43 B15R1.7161 CCCC1CC=C[C@@H](O)CCCC(=O)O1 C08509 [0,1,0,1,0,0|0,0,2]=4 44 B15R1.3995 CC\C=C/C[C@@H]1[C@@H](O)CC[C@@H]1CC(=O)O C08482 [0,1,0,1,0,0|0,0,2]=4 45 B15R2.1428 [C@@H]12CCCC=C1C(=O)O[C@H]2CCCC C17002 [0,0,0,2,0,0|0,0,2]=4 46 B15R2.1428 [C@H]12CCC=C[C@H]1C(=O)O[C@H]2CCCC C16937 [0,0,0,2,0,0|0,0,2]=4