0 B11R0.40 CCCCCCC#CC(=O)OC CHEBI:51749 [0,0,0,0,0,0|0,0,0]=0 1 B11R0.40 CCCCCCCCC(=O)OC CHEBI:44499 [0,0,0,0,0,0|0,0,2]=2 2 B10R0.4 C(CCCC(=O)O)CCCO CHEBI:79162 [1,0,0,0,0,0|1,0,2]=4 3 B10R0.4 CCCCCCCCC(=O)C CHEBI:77929 [1,0,0,0,0,0|0,0,2]=3 4 B10R0.4 CCCCCCCCC(=O)O CHEBI:29019 [1,0,0,0,0,0|0,0,2]=3 5 B10R0.4 CCCCCCCCC(=O)[O-] CHEBI:32361 [1,0,0,0,0,0|0,0,3]=4 6 B10R0.74 CCCCCCCC(=O)CC CHEBI:87309 [1,0,0,0,0,0|1,0,1]=3 7 B10R0.74 CCCCCCCC(=O)OC CHEBI:87432 [1,0,0,0,0,0|0,0,1]=2 8 B10R0.74 CCCCCCOC(=O)CC CHEBI:87549 [1,0,0,0,0,0|2,0,0]=3 9 B10R0.74 CC\C=C/CCOC(=O)OC CHEBI:132845 [1,0,0,0,0,0|1,0,2]=4 10 B10R0.74 [*]SC(=O)CCCCCCC CHEBI:7725 [1,0,0,0,0,0|1,1,1]=4 11 B12R0.1 CCCCCCCCC(=O)OCC CHEBI:87501 [0,1,0,0,0,0|0,0,2]=3 12 B12R0.1 CCCCC\C=C\CC(=O)OCC CHEBI:87312 [0,1,0,0,0,0|0,0,3]=4 13 B12R0.248 CCCCCCCCCC(=O)OC CHEBI:87658 [0,1,0,0,0,0|0,0,2]=3 14 B9R0.2 C(CCCO)CCC(=O)O CHEBI:79112 [2,0,0,0,0,0|1,0,1]=4 15 B9R0.2 CCCCCC#CC(=O)O CHEBI:60295 [2,0,0,0,0,0|0,0,0]=2 16 B9R0.2 CCCCCCCC(=O)C CHEBI:77927 [2,0,0,0,0,0|0,0,1]=3 17 B9R0.2 CCCCCCCC(=O)O CHEBI:28837 [2,0,0,0,0,0|0,0,1]=3 18 B9R0.2 CCCCCCCC(=O)[O-] CHEBI:132100 [2,0,0,0,0,0|0,0,2]=4 19 B9R0.2 CCCCCCCC(=O)[O-] CHEBI:25646 [2,0,0,0,0,0|0,0,2]=4 20 B9R0.2 CCCCCCOC(=O)C CHEBI:87510 [2,0,0,0,0,0|1,0,0]=3 21 B9R0.2 CCCCCSCC(=O)O CHEBI:65241 [2,0,0,0,0,0|1,0,1]=4 22 B9R0.2 CCCCC\C=C\C(=O)C CHEBI:133457 [2,0,0,0,0,0|0,0,2]=4 23 B9R0.2 CCCCC\C=C\C(=O)O CHEBI:86544 [2,0,0,0,0,0|0,0,2]=4 24 B9R0.2 CCOCCCOC(=O)C CHEBI:87294 [2,0,0,0,0,0|2,0,0]=4 25 B9R0.45 CCCCCCCCC=O CHEBI:84268 [2,0,0,0,0,0|0,0,2]=4 26 B9R0.45 CCCCCC\C=C\C=O CHEBI:61726 [2,0,0,0,0,0|0,0,2]=4 27 B9R0.46 CCCCCOC(=O)CC CHEBI:87373 [2,0,0,0,0,0|2,0,0]=4 28 B11R0.30 C[C@H](CCCCCCC(=O)O)O CHEBI:78839 [1,1,0,0,0,0|0,0,2]=4 29 B11R0.30 C[C@H](CCCC\C=C\C(=O)O)O CHEBI:78819 [1,1,0,0,0,0|0,0,2]=4 30 B11R0.42 CCCCCCCC(=O)C(=O)O CHEBI:55523 [1,1,0,0,0,0|0,0,2]=4 31 B11R0.42 CCCCCCCC(C(=O)O)O CHEBI:73753 [1,1,0,0,0,0|0,0,2]=4 32 B11R0.42 CCCCCCC[C@H](C(=O)O)O CHEBI:55538 [1,1,0,0,0,0|0,0,2]=4 33 B11R0.46 CCCCCC(\C=C\C(=O)O)O CHEBI:86180 [1,1,0,0,0,0|0,0,2]=4 34 B11R0.147 CCCCC(C)CCOC(=O)C CHEBI:87326 [1,1,0,0,0,0|1,0,1]=4 35 B11R0.148 C(CCCCN)CCCC(=O)O CHEBI:73740 [1,1,0,0,0,0|0,0,2]=4 36 B11R0.148 C(CCCCO)CCCC(=O)O CHEBI:79121 [1,1,0,0,0,0|0,0,2]=4 37 B11R0.148 C(CCCO)CC\C=C\C(=O)O CHEBI:79115 [1,1,0,0,0,0|0,0,2]=4 38 B11R0.148 CCCCCCCCCC(=O)C CHEBI:17700 [1,1,0,0,0,0|0,0,2]=4 39 B11R0.148 CCCCCCCCCC(=O)O CHEBI:30813 [1,1,0,0,0,0|0,0,2]=4 40 B11R0.148 CCCCCCCCOC(=O)C CHEBI:87495 [1,1,0,0,0,0|0,0,2]=4 41 B11R0.148 CCCCCCCCSC(=O)C CHEBI:87547 [1,1,0,0,0,0|0,0,2]=4 42 B11R0.148 CCCCCCC\C=C/C(=O)O CHEBI:50466 [1,1,0,0,0,0|0,0,2]=4 43 B11R0.148 CCCCCCC\C=C\C(=O)O CHEBI:50465 [1,1,0,0,0,0|0,0,2]=4 44 B11R0.148 CCCCCCC\C=C\C(=O)O CHEBI:50467 [1,1,0,0,0,0|0,0,2]=4 45 B11R0.148 CCCCCC\C=C\CC(=O)O CHEBI:37809 [1,1,0,0,0,0|0,0,2]=4 46 B11R0.148 CCCCCC\C=C\CC(=O)O CHEBI:61200 [1,1,0,0,0,0|0,0,2]=4 47 B11R0.148 CCCCCOCCOC(=O)C CHEBI:87270 [1,1,0,0,0,0|1,0,1]=4 48 B13R0.2 CCCCCCCCCC(=O)OCC CHEBI:87430 [0,2,0,0,0,0|0,0,2]=4 49 B13R0.2 CCCCCCC\C=C\C(=O)OCC CHEBI:87324 [0,2,0,0,0,0|0,0,2]=4 50 B13R0.147 CCCCCCCCCCC(=O)OC CHEBI:87527 [0,2,0,0,0,0|0,0,2]=4 51 B13R0.147 COC(=O)CCCCCCCCC=C CHEBI:87493 [0,2,0,0,0,0|0,0,2]=4 52 B11R1.92 C1CCCCC#CCCCC1 CHEBI:37818 [1,0,0,1,0,0|1,0,1]=4 53 B11R1.59 COC(=O)N1CCCC1CO CHEBI:70831 [1,0,0,1,0,0|2,0,0]=4