0 B19R0.149 CCCCCC#CC\C=C/CCCCCCCC(=O)O C07289 [0,0,0,0,0,0|0,0,2]=2 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|0,0,2]=2 3 B19R0.149 CCCCCCCCCCCCCCCCCC(N)=O C13846 [0,0,0,0,0,0|1,0,2]=3 4 B19R0.149 CCCCCCCCCCC\C=C/CCCCC(=O)O C08363 [0,0,0,0,0,0|0,0,4]=4 5 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)O C00712 [0,0,0,0,0,0|0,0,0]=0 6 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)[O-] C18601 [0,0,0,0,0,0|0,0,1]=1 7 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(N)=O C19670 [0,0,0,0,0,0|1,0,0]=1 8 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)O C01712 [0,0,0,0,0,0|0,0,0]=0 9 B19R0.149 CCCCCC\C=C\C=C/CCCCCCCC(=O)O C04056 [0,0,0,0,0,0|0,0,2]=2 10 B19R0.149 CCCCCC\C=C\CCCCCCCCCC(=O)O C08367 [0,0,0,0,0,0|0,0,4]=4 11 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC(=O)O C01595 [0,0,0,0,0,0|0,0,2]=2 12 B19R0.149 CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)O C06426 [0,0,0,0,0,0|0,0,4]=4 13 B19R0.149 CCCC\C=C/C=C/C=C\CCCCCCCC(=O)O C08364 [0,0,0,0,0,0|0,0,4]=4 14 B19R0.149 CCCC\C=C\C=C\C=C/CCCCCCCC(=O)O C08315 [0,0,0,0,0,0|0,0,4]=4 15 B19R0.149 CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)O C06427 [0,0,0,0,0,0|0,0,4]=4 16 B19R0.149 [*]C(=O)CCCCCCC\C=C/C\C=C/CCCCC C21529 [0,0,0,0,0,0|1,0,2]=3 17 B18R0.176 CCCCCCC\C=C\CCCCCCCC(=O)O C16536 [1,0,0,0,0,0|0,0,0]=1 18 B18R0.176 O=C(O)CCCCCCCCCCCCCCCF C13948 [1,0,0,0,0,0|1,0,1]=3 19 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO C18218 [1,0,0,0,0,0|1,0,1]=3 20 B18R0.176 O=CCCCCCCCCCCCCCCC(=O)O C19614 [1,0,0,0,0,0|1,0,2]=4 21 B18R0.221 CCCCCCCCCCCCCCCCCC=O C01838 [1,0,0,0,0,0|0,0,2]=3 22 B20R0.68 CCCCCCCCC(C)CCCCCCCCC(=O)O C16794 [0,1,0,0,0,0|0,0,2]=3 23 B20R0.68 CCCCCCCC[C@@H](O)CCCCCCCCC(=O)O C03195 [0,1,0,0,0,0|0,0,2]=3 24 B20R0.90 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)O C08365 [0,1,0,0,0,0|0,0,0]=1 25 B20R0.3034 CCCCCCCC\C=C/CCCCCCCC(=O)OC C03425 [0,1,0,0,0,0|0,0,0]=1 26 B20R0.3034 [*]SC(=O)CCCCCCCCCCCCCCCCC C04088 [0,1,0,0,0,0|0,1,2]=4 27 B20R0.3034 [*]SC(=O)CCCCCCC\C=C/CCCCCCCC C01203 [0,1,0,0,0,0|0,1,0]=2 28 B20R0.3034 [*]SC(=O)CCCCCCC\C=C/C\C=C/CCCCC C16160 [0,1,0,0,0,0|0,1,2]=4 29 B20R0.3037 CCCCCCCCCCCCCCCCC(=O)C(=O)O C00869 [0,1,0,0,0,0|0,0,3]=4 30 B20R0.3037 CCCCCCCCCCCCCCCC[C@@H](O)C(=O)O C03042 [0,1,0,0,0,0|0,0,2]=3 31 B20R0.3037 CCCCCCCCCCCCCCCC[C@H](O)C(=O)O C03045 [0,1,0,0,0,0|0,0,2]=3 32 B20R0.17440 CCCCC\C=C/C=C/C(=O)CCCCCCCC(=O)O C14766 [0,1,0,0,0,0|0,0,3]=4 33 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O C16535 [0,1,0,0,0,0|0,0,2]=3 34 B20R0.31940 O=C(O)CCCCCCC\C=C/CCCCCCCCO C19616 [0,1,0,0,0,0|0,0,0]=1 35 B20R0.31940 O=CCCCCCCC\C=C/CCCCCCCC(=O)O C19617 [0,1,0,0,0,0|0,0,1]=2 36 B20R0.31968 CCCCC\C=C/C\C=C/[C@H](O)CCCCCCC(=O)O C08318 [0,1,0,0,0,0|0,0,2]=3 37 B20R0.32990 CCCCCC(=O)\C=C\C=C/CCCCCCCC(=O)O C14765 [0,1,0,0,0,0|0,0,3]=4 38 B20R0.32990 CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(=O)O C14762 [0,1,0,0,0,0|0,0,2]=3 39 B20R1.34039 CCCCCCCCC1=C(CCCCCCC(=O)O)C1 C08321 [0,0,0,1,0,0|0,0,2]=3 40 B20R1.688472 O=C(O)CCCCCCCCCCC1CCCCCC1 C12103 [0,0,0,1,0,0|0,0,2]=3 41 B17R0.43 CCCCCCCCCCCCCCCC(=O)O C00249 [2,0,0,0,0,0|0,0,0]=2 42 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)O C08362 [2,0,0,0,0,0|0,0,0]=2 43 B19R0.59 O=C(O)CCCCCCCCC(O)CCCCCCO C08285 [1,1,0,0,0,0|1,0,1]=4 44 B19R0.443 CC(C)CCCCCCCCCCCCCCC(=O)O C20356 [1,1,0,0,0,0|0,0,1]=3 45 B21R0.9111 CCCCCCCCC(O)C(O)CCCCCCCC(=O)O C19622 [0,2,0,0,0,0|0,0,2]=4 46 B21R0.9111 CCCCCCCC[C@@H](O)[C@H](O)CCCCCCCC(=O)O C08314 [0,2,0,0,0,0|0,0,2]=4 47 B21R0.9111 CCCCCCCC[C@H](O)[C@@H](O)CCCCCCCC(=O)O C15988 [0,2,0,0,0,0|0,0,2]=4 48 B21R0.9398 CCCCCCCC[C@@H](\C=C\CCCCCCC(=O)O)OO C20702 [0,2,0,0,0,0|0,0,2]=4 49 B21R0.37067 CCCCCC(O)C(O)C\C=C/CCCCCCCC(=O)O C14829 [0,2,0,0,0,0|0,0,0]=2 50 B21R0.32984 CCCCC\C=C/C\C=C/[C@H](O)CC[C@@H](O)CCCC(=O)O C20186 [0,2,0,0,0,0|0,0,2]=4 51 B21R0.18300 CCCCCCCC\C=C/[C@H](O)[C@H](O)CCCCCC(=O)O C07355 [0,2,0,0,0,0|0,0,0]=2 52 B21R0.18300 CCCCC\C=C/C\C=C/[C@H](O)[C@@H](O)CCCCCC(=O)O C07354 [0,2,0,0,0,0|0,0,2]=4 53 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O C06425 [0,2,0,0,0,0|0,0,2]=4 54 B21R0.81 CCCCCCCC\C=C/CCCCCCCCCC(=O)O C16526 [0,2,0,0,0,0|0,0,0]=2 55 B21R0.81 CCCCC\C=C/C\C=C/CCCCCCCCCC(=O)O C16525 [0,2,0,0,0,0|0,0,2]=4 56 B21R0.81 CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)O C03242 [0,2,0,0,0,0|0,0,2]=4 57 B21R0.9014 O=C(O)CCCCCCC\C=C/CCCCCCCC(=O)O C19618 [0,2,0,0,0,0|0,0,1]=3 58 B21R0.18861 CCCCC\C=C/C\C=C/[C@@H](CCCCCCC(=O)O)OO C14831 [0,2,0,0,0,0|0,0,2]=4 59 B21R0.32153 CCCCC\C=C/[C@@H](\C=C/CCCCCCCC(=O)O)OO C07338 [0,2,0,0,0,0|0,0,2]=4 60 B21R0.36906 CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)OO C04717 [0,2,0,0,0,0|0,0,2]=4 61 B19R1.25715 O=C(O)CCCCCCCCCCC1CCCCC1 C12100 [1,0,0,1,0,0|0,0,1]=3 62 B21R1.17805 CCCCCCCCC1=C(CCCCCCCC(=O)O)C1 C08366 [0,1,0,1,0,0|0,0,0]=2 63 B21R1.17805 CCCCCCCCC1OC1CCCCCCCC(=O)O C19418 [0,1,0,1,0,0|0,0,2]=4 64 B21R1.18284 CCCCCCC1=CC=C(CCCCCCCC(=O)O)O1 C13798 [0,1,0,1,0,0|0,0,2]=4 65 B21R1.633376 CCCCC[C@@H]1O[C@@H]1C\C=C/CCCCCCCC(=O)O C08368 [0,1,0,1,0,0|0,0,0]=2 66 B21R1.633376 CCCCC[C@@H]1O[C@@H]1C\C=C/CCCCCCCC(=O)O C14826 [0,1,0,1,0,0|0,0,0]=2 67 B21R1.633376 CCCCC[C@H]1O\C1=C\C=C/CCCCCCCC(=O)O C04594 [0,1,0,1,0,0|0,0,2]=4 68 B21R1.988145 [C@H]1(CCCCCC)C[C@H]1CCCCCCCCCC(=O)O C13838 [0,1,0,1,0,0|0,0,2]=4 69 B21R1.18637 CCCCCCCCCCC[C@@H]1O[C@@H]1CCCCC(=O)O C13791 [0,1,0,1,0,0|0,0,2]=4