0 B13R0.2 CCCCCCCCCC(=O)OCC CHEBI:87430 [0,0,0,0,0,0|0,0,0]=0 1 B13R0.2 CCCCCCCCCC(C)CCC CHEBI:132281 [0,0,0,0,0,0|2,0,1]=3 2 B13R0.2 CCCCCCC\C=C\C(=O)OCC CHEBI:87324 [0,0,0,0,0,0|0,0,2]=2 3 B13R0.2 CCOC(=O)CCCCCCCC=C CHEBI:87338 [0,0,0,0,0,0|0,0,2]=2 4 B12R0.1 CCCCCCCCC(=O)OCC CHEBI:87501 [1,0,0,0,0,0|0,0,0]=1 5 B12R0.1 CCCCC\C=C\CC(=O)OCC CHEBI:87312 [1,0,0,0,0,0|0,0,2]=3 6 B12R0.5 CCCCCCCCCCCCC CHEBI:35998 [1,0,0,0,0,0|1,0,1]=3 7 B12R0.5 CCCCCCCCCCCCO CHEBI:28878 [1,0,0,0,0,0|2,0,1]=4 8 B12R0.5 CCCCCCCCCC\C=C\C CHEBI:87590 [1,0,0,0,0,0|1,0,2]=4 9 B12R0.5 CCCCCCCCC\C=C\C=O CHEBI:133741 [1,0,0,0,0,0|2,0,1]=4 10 B12R0.248 CCCCCCCCCC(=O)NO CHEBI:32350 [1,0,0,0,0,0|2,0,0]=3 11 B12R0.248 CCCCCCCCCC(=O)OC CHEBI:87658 [1,0,0,0,0,0|0,0,0]=1 12 B12R0.248 CCCCCCCCCC(C)CI CHEBI:84222 [1,0,0,0,0,0|2,0,1]=4 13 B12R0.248 [*]SC(=O)CCCCCCCCC CHEBI:4349 [1,0,0,0,0,0|1,1,0]=3 14 B14R0.391 CCCCCCCCCC(=O)CC(=O)O CHEBI:18037 [0,1,0,0,0,0|2,0,1]=4 15 B14R0.391 CCCCCCCCCC(=O)CC(=O)[O-] CHEBI:29743 [0,1,0,0,0,0|2,0,1]=4 16 B14R0.493 CCCCCCCCCC(=O)NCCO CHEBI:85301 [0,1,0,0,0,0|1,0,0]=2 17 B14R0.493 CCCCCCCCCC(=O)OCCC CHEBI:86973 [0,1,0,0,0,0|0,0,0]=1 18 B11R0.3 CCCCCCCCCCCC CHEBI:28817 [2,0,0,0,0,0|0,0,1]=3 19 B11R0.3 CCCCCCCCCCCO CHEBI:87499 [2,0,0,0,0,0|1,0,1]=4 20 B11R0.4 CCCCCCCC(=O)OCC CHEBI:87426 [2,0,0,0,0,0|0,0,0]=2 21 B11R0.4 CCCCCCOC(=O)CCC CHEBI:87559 [2,0,0,0,0,0|2,0,0]=4 22 B11R0.4 CCCCC\C=C\C(=O)OCC CHEBI:87325 [2,0,0,0,0,0|0,0,2]=4 23 B11R0.4 CCC\C=C\CCC(=O)OCC CHEBI:87575 [2,0,0,0,0,0|0,0,2]=4 24 B11R0.40 CCCCCCC#CC(=O)OC CHEBI:51749 [2,0,0,0,0,0|0,0,2]=4 25 B11R0.40 CCCCCCCCC(=O)OC CHEBI:44499 [2,0,0,0,0,0|0,0,0]=2 26 B11R0.148 C(CCCC=O)CCCC(=O)O CHEBI:78700 [2,0,0,0,0,0|1,0,1]=4 27 B11R0.148 C(CCCCN)CCCC(=O)O CHEBI:73740 [2,0,0,0,0,0|1,0,0]=3 28 B11R0.148 C(CCCCO)CCCC(=O)O CHEBI:79121 [2,0,0,0,0,0|1,0,0]=3 29 B11R0.148 C=CCCCCCCCC(=O)O CHEBI:32381 [2,0,0,0,0,0|0,0,2]=4 30 B11R0.148 CCCCCCCCCC(=O)C CHEBI:17700 [2,0,0,0,0,0|0,0,0]=2 31 B11R0.148 CCCCCCCCCC(=O)N CHEBI:38833 [2,0,0,0,0,0|1,0,0]=3 32 B11R0.148 CCCCCCCCCC(=O)O CHEBI:30813 [2,0,0,0,0,0|0,0,0]=2 33 B11R0.148 CCCCCCCCCC(=O)[O-] CHEBI:27689 [2,0,0,0,0,0|0,0,1]=3 34 B11R0.148 CCCCCCCCCC(C)O CHEBI:77930 [2,0,0,0,0,0|0,0,2]=4 35 B11R0.148 CCCCCCCCOC(=O)C CHEBI:87495 [2,0,0,0,0,0|1,0,0]=3 36 B11R0.148 CCCCCCCCSC(=O)C CHEBI:87547 [2,0,0,0,0,0|1,0,0]=3 37 B11R0.148 CCCCCCC\C=C/C(=O)O CHEBI:50466 [2,0,0,0,0,0|0,0,2]=4 38 B11R0.148 CCCCCCC\C=C\C(=O)O CHEBI:50465 [2,0,0,0,0,0|0,0,2]=4 39 B11R0.148 CCCCCCC\C=C\C(=O)O CHEBI:50467 [2,0,0,0,0,0|0,0,2]=4 40 B11R0.148 CCCCCC\C=C\CC(=O)O CHEBI:37809 [2,0,0,0,0,0|0,0,2]=4 41 B11R0.148 CCCCCC\C=C\CC(=O)O CHEBI:61200 [2,0,0,0,0,0|0,0,2]=4 42 B11R0.148 CCCCCOCCOC(=O)C CHEBI:87270 [2,0,0,0,0,0|2,0,0]=4 43 B11R0.148 CCCCC\C=C/CCC(=O)O CHEBI:32380 [2,0,0,0,0,0|0,0,2]=4 44 B11R0.148 CS(=O)CCCCCCCCN CHEBI:91158 [2,0,0,0,0,0|2,0,0]=4 45 B13R0.54 CCCCCCCCCCCC(C)C CHEBI:84277 [1,1,0,0,0,0|1,0,1]=4 46 B13R0.165 CCCCCCC(CCCCCC)O CHEBI:87311 [1,1,0,0,0,0|1,0,1]=4 47 B13R0.336 CCCCCCCCCCCCCC CHEBI:41253 [1,1,0,0,0,0|1,0,1]=4 48 B15R0.366 CCCCCCCCCCCC(=O)OCC CHEBI:87427 [0,2,0,0,0,0|0,0,0]=2 49 B15R0.366 CCCCCCCCC\C=C/C(=O)OCC CHEBI:87152 [0,2,0,0,0,0|0,0,0]=2 50 B15R0.88 CCCCCCCCCC(=O)NCC(=O)O CHEBI:74430 [0,2,0,0,0,0|1,0,1]=4 51 B15R0.88 CCCCCCCCCC(=O)OCC(C)C CHEBI:87570 [0,2,0,0,0,0|0,0,0]=2 52 B15R0.322 CCCCOC(=O)CCCCCCCC=C CHEBI:87291 [0,2,0,0,0,0|0,0,2]=4