0 B19R0.149 CCCCCC#CC\C=C/CCCCCCCC(=O)O C07289 [0,0,0,0,0,0|0,0,4]=4 1 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O C08459 [0,0,0,0,0,0|0,0,2]=2 2 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O C01530 [0,0,0,0,0,0|0,0,0]=0 3 B19R0.149 CCCCCCCCCCCCCCCCCC(N)=O C13846 [0,0,0,0,0,0|1,0,0]=1 4 B19R0.149 CCCCCCCCCCC\C=C/CCCCC(=O)O C08363 [0,0,0,0,0,0|0,0,2]=2 5 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O C00712 [0,0,0,0,0,0|0,0,2]=2 6 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] C18601 [0,0,0,0,0,0|0,0,3]=3 7 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(N)=O C19670 [0,0,0,0,0,0|1,0,2]=3 8 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O C01712 [0,0,0,0,0,0|0,0,2]=2 9 B19R0.149 CCCCCC\C=C\C=C/CCCCCCCC(=O)O C04056 [0,0,0,0,0,0|0,0,4]=4 10 B19R0.149 CCCCCC\C=C\CCCCCCCCCC(=O)O C08367 [0,0,0,0,0,0|0,0,2]=2 11 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O C01595 [0,0,0,0,0,0|0,0,4]=4 12 B18R0.176 CCCCCCC\C=C\CCCCCCCC(=O)O C16536 [1,0,0,0,0,0|0,0,2]=3 13 B18R0.176 O=C(O)CCCCCCCCCCCCCCCF C13948 [1,0,0,0,0,0|1,0,0]=2 14 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO C18218 [1,0,0,0,0,0|1,0,0]=2 15 B18R0.176 O=CCCCCCCCCCCCCCCC(=O)O C19614 [1,0,0,0,0,0|1,0,1]=3 16 B18R0.221 CCCCCCCCCCCCCCCCCC=O C01838 [1,0,0,0,0,0|0,0,0]=1 17 B20R0.68 CCCCCCCCC(C)CCCCCCCCC(=O)O C16794 [0,1,0,0,0,0|0,0,0]=1 18 B20R0.68 CCCCCCCC[C@@H](O)CCCCCCCCC(=O)O C03195 [0,1,0,0,0,0|0,0,0]=1 19 B20R0.90 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)O C08365 [0,1,0,0,0,0|0,0,2]=3 20 B20R0.3034 CCCCCCCC\C=C/CCCCCCCC(=O)OC C03425 [0,1,0,0,0,0|0,0,2]=3 21 B20R0.3034 [*]SC(=O)CCCCCCCCCCCCCCCCC C04088 [0,1,0,0,0,0|0,1,0]=2 22 B20R0.3034 [*]SC(=O)CCCCCCC\C=C/CCCCCCCC C01203 [0,1,0,0,0,0|0,1,2]=4 23 B20R0.3034 [*]SC(=O)\C=C\CCCCCCCCCCCCCCC C16221 [0,1,0,0,0,0|0,1,2]=4 24 B20R0.3037 CCCCCCCCCCCCCCCCC(=O)C(=O)O C00869 [0,1,0,0,0,0|0,0,1]=2 25 B20R0.3037 CCCCCCCCCCCCCCCC[C@@H](O)C(=O)O C03042 [0,1,0,0,0,0|0,0,0]=1 26 B20R0.3037 CCCCCCCCCCCCCCCC[C@H](O)C(=O)O C03045 [0,1,0,0,0,0|0,0,0]=1 27 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O C16535 [0,1,0,0,0,0|0,0,0]=1 28 B20R0.31940 O=C(O)CCCCCCC\C=C/CCCCCCCCO C19616 [0,1,0,0,0,0|0,0,2]=3 29 B20R0.31940 O=CCCCCCCC\C=C/CCCCCCCC(=O)O C19617 [0,1,0,0,0,0|0,0,3]=4 30 B20R0.35227 CC(C)CCCCCCCCC\C=C/CCCCC(=O)O C13787 [0,1,0,0,0,0|0,0,2]=3 31 B20R1.31096 O=C(O)CCCCCCCCCCCC[C@@H]1C=CCC1 C08282 [0,0,0,1,0,0|0,0,2]=3 32 B20R1.34039 CCCCCCCCC1=C(CCCCCCC(=O)O)C1 C08321 [0,0,0,1,0,0|0,0,2]=3 33 B20R1.688472 O=C(O)CCCCCCCCCCC1CCCCCC1 C12103 [0,0,0,1,0,0|0,0,0]=1 34 B17R0.43 CCCCCCCCCCCCCCCC(=O)O C00249 [2,0,0,0,0,0|0,0,0]=2 35 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)O C08362 [2,0,0,0,0,0|0,0,2]=4 36 B19R0.59 O=C(O)CCCCCCCCC(O)CCCCCCO C08285 [1,1,0,0,0,0|1,0,0]=3 37 B19R0.443 CC(C)CCCCCCCCCCCCCCC(=O)O C20356 [1,1,0,0,0,0|0,0,0]=2 38 B19R0.443 O=C(O)CCCCCCCCCCCCCCC(=O)O C19615 [1,1,0,0,0,0|1,0,1]=4 39 B21R0.9111 CCCCCCCCC(O)C(O)CCCCCCCC(=O)O C19622 [0,2,0,0,0,0|0,0,0]=2 40 B21R0.9111 CCCCCCCC[C@@H](O)[C@H](O)CCCCCCCC(=O)O C08314 [0,2,0,0,0,0|0,0,0]=2 41 B21R0.9111 CCCCCCCC[C@H](O)[C@@H](O)CCCCCCCC(=O)O C15988 [0,2,0,0,0,0|0,0,0]=2 42 B21R0.9111 CCCCC\C=C/CC(O)C(O)CCCCCCCC(=O)O C14828 [0,2,0,0,0,0|0,0,2]=4 43 B21R0.9398 CCCCCCCC[C@@H](\C=C\CCCCCCC(=O)O)OO C20702 [0,2,0,0,0,0|0,0,2]=4 44 B21R0.37067 CCCCCC(O)C(O)C\C=C/CCCCCCCC(=O)O C14829 [0,2,0,0,0,0|0,0,2]=4 45 B21R0.36393 [*]SC(=O)CC(=O)CCCCCCCCCCCCCCC C16219 [0,2,0,0,0,0|0,1,1]=4 46 B21R0.36393 [*]SC(=O)C[C@H](O)CCCCCCCCCCCCCCC C16220 [0,2,0,0,0,0|0,1,0]=3 47 B21R0.36766 CCCCCCCCCCCCCCCCOCC(O)CO C13859 [0,2,0,0,0,0|0,0,2]=4 48 B21R0.18300 CCCCCCCC\C=C/[C@H](O)[C@H](O)CCCCCC(=O)O C07355 [0,2,0,0,0,0|0,0,2]=4 49 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O C06425 [0,2,0,0,0,0|0,0,0]=2 50 B21R0.81 CCCCCCCC\C=C/CCCCCCCCCC(=O)O C16526 [0,2,0,0,0,0|0,0,0]=2 51 B21R0.81 CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O C16525 [0,2,0,0,0,0|0,0,2]=4 52 B19R1.25715 O=C(O)CCCCCCCCCCC1CCCCC1 C12100 [1,0,0,1,0,0|0,0,0]=2 53 B21R1.17805 CCCCCCCCC1=C(CCCCCCCC(=O)O)C1 C08366 [0,1,0,1,0,0|0,0,1]=3 54 B21R1.17805 CCCCCCCCC1OC1CCCCCCCC(=O)O C19418 [0,1,0,1,0,0|0,0,0]=2 55 B21R1.17805 CCCCC\C=C/C[C@@H]1O[C@@H]1CCCCCCCC(=O)O C14825 [0,1,0,1,0,0|0,0,2]=4 56 B21R1.633376 CCCCC[C@@H]1O[C@@H]1C\C=C/CCCCCCCC(=O)O C08368 [0,1,0,1,0,0|0,0,2]=4 57 B21R1.633376 CCCCC[C@@H]1O[C@@H]1C\C=C/CCCCCCCC(=O)O C14826 [0,1,0,1,0,0|0,0,2]=4 58 B21R1.988145 [C@H]1(CCCCCC)C[C@H]1CCCCCCCCCC(=O)O C13838 [0,1,0,1,0,0|0,0,0]=2 59 B21R1.18637 CCCCCCCCCCC[C@@H]1O[C@@H]1CCCCC(=O)O C13791 [0,1,0,1,0,0|0,0,0]=2