0 B19R0.149 CC(=O)OCCCCCC\C=C/CC\C=C\CCCC Amb22740017 [0,0,0,0,0,0|2,0,2]=4 1 B19R0.149 CCCCCC#CC\C=C/CCCCCCCC(O)=O Amb21928954 [0,0,0,0,0,0|1,0,2]=3 2 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl Amb16232724 [0,0,0,0,0,0|1,0,2]=3 3 B19R0.149 CCCCCCCCCCCCCCCCCC(C)N Amb21953726 [0,0,0,0,0,0|1,0,3]=4 4 B19R0.149 CCCCCCCCCCCCCCCCCC(N)=S Amb22359769 [0,0,0,0,0,0|0,1,2]=3 5 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22336663 [0,0,0,0,0,0|1,0,2]=3 6 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22352822 [0,0,0,0,0,0|1,0,2]=3 7 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22353520 [0,0,0,0,0,0|1,0,2]=3 8 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22360658 [0,0,0,0,0,0|1,0,2]=3 9 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22360670 [0,0,0,0,0,0|1,0,2]=3 10 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22731026 [0,0,0,0,0,0|1,0,2]=3 11 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22735002 [0,0,0,0,0,0|1,0,2]=3 12 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb20246452 [0,0,0,0,0,0|1,0,2]=3 13 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb21962914 [0,0,0,0,0,0|1,0,2]=3 14 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22045499 [0,0,0,0,0,0|1,0,2]=3 15 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22052433 [0,0,0,0,0,0|1,0,2]=3 16 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22168327 [0,0,0,0,0,0|1,0,2]=3 17 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22276139 [0,0,0,0,0,0|1,0,2]=3 18 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22360648 [0,0,0,0,0,0|1,0,2]=3 19 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22552492 [0,0,0,0,0,0|1,0,2]=3 20 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22729061 [0,0,0,0,0,0|1,0,2]=3 21 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22729091 [0,0,0,0,0,0|1,0,2]=3 22 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22730641 [0,0,0,0,0,0|1,0,2]=3 23 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22730931 [0,0,0,0,0,0|1,0,2]=3 24 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22731292 [0,0,0,0,0,0|1,0,2]=3 25 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22731742 [0,0,0,0,0,0|1,0,2]=3 26 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22732275 [0,0,0,0,0,0|1,0,2]=3 27 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22732705 [0,0,0,0,0,0|1,0,2]=3 28 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22733869 [0,0,0,0,0,0|1,0,2]=3 29 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22733890 [0,0,0,0,0,0|1,0,2]=3 30 B19R0.149 CCCCCCCCCCCCCCCCC[13C](=O)O Amb17620144 [0,0,0,0,0,0|1,0,2]=3 31 B19R0.149 CCCCCCCCCCCCCCCCC[14C](O)=O Amb22352519 [0,0,0,0,0,0|1,0,2]=3 32 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl Amb19944676 [0,0,0,0,0,0|2,0,2]=4 33 B19R0.149 CCCCCCCCCCCCCCCCSC(C)=O Amb22345982 [0,0,0,0,0,0|2,0,2]=4 34 B19R0.149 CCCCCCCCCCCCCCCC[13CH2]C(O)=O Amb22367350 [0,0,0,0,0,0|1,0,2]=3 35 B19R0.149 CCCCCCCCCCCCCCCC[13CH2][13C](O)=O Amb22367511 [0,0,0,0,0,0|1,0,2]=3 36 B19R0.149 CCCCCCCCCCCCSCCCCC(=O)O Amb1150949 [0,0,0,0,0,0|2,0,2]=4 37 B19R0.149 CCCCCCCCC\C=C/CCCCCCC(O)=O Amb21928953 [0,0,0,0,0,0|1,0,2]=3 38 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)N Amb17618835 [0,0,0,0,0,0|0,0,0]=0 39 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22337682 [0,0,0,0,0,0|1,0,0]=1 40 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22351280 [0,0,0,0,0,0|1,0,0]=1 41 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22360659 [0,0,0,0,0,0|1,0,0]=1 42 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22432561 [0,0,0,0,0,0|1,0,0]=1 43 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22730958 [0,0,0,0,0,0|1,0,0]=1 44 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22733375 [0,0,0,0,0,0|1,0,0]=1 45 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22734450 [0,0,0,0,0,0|1,0,0]=1 46 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb19960036 [0,0,0,0,0,0|1,0,0]=1 47 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb20246443 [0,0,0,0,0,0|1,0,0]=1 48 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb21520391 [0,0,0,0,0,0|1,0,0]=1 49 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22338064 [0,0,0,0,0,0|1,0,0]=1 50 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22349267 [0,0,0,0,0,0|1,0,0]=1 51 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22729194 [0,0,0,0,0,0|1,0,0]=1 52 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22729375 [0,0,0,0,0,0|1,0,0]=1 53 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22729952 [0,0,0,0,0,0|1,0,0]=1 54 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22730357 [0,0,0,0,0,0|1,0,0]=1 55 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22730716 [0,0,0,0,0,0|1,0,0]=1 56 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22731019 [0,0,0,0,0,0|1,0,0]=1 57 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22733452 [0,0,0,0,0,0|1,0,0]=1 58 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22733454 [0,0,0,0,0,0|1,0,0]=1 59 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22734062 [0,0,0,0,0,0|1,0,0]=1 60 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22734215 [0,0,0,0,0,0|1,0,0]=1 61 B19R0.149 CCCCCCCC\C=C/CCCCCCC[13C](=O)O Amb17618858 [0,0,0,0,0,0|1,0,0]=1 62 B19R0.149 CCCCCCCC\C=C/CCCCCCOC(C)=O Amb22740020 [0,0,0,0,0,0|2,0,0]=2 63 B19R0.149 CCCCCCCC\C=C/C\C=C/CCCCC(O)=O Amb21928932 [0,0,0,0,0,0|1,0,2]=3 64 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)Cl Amb20001478 [0,0,0,0,0,0|1,0,0]=1 65 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(O)=O Amb22369201 [0,0,0,0,0,0|1,0,0]=1 66 B19R0.149 CCCCCCCC\[13CH]=[13CH]/CCCCCCC[13C](O)=O Amb22353961 [0,0,0,0,0,0|1,0,0]=1 67 B19R0.149 CCCCCCCC\[13CH]=[13CH]/[13CH2][13CH2]CCC[13CH2][13CH2][13C](O)=O Amb22353878 [0,0,0,0,0,0|1,0,0]=1 68 B19R0.149 CCCCCCC\C=C\C=C\CCCCCCC(O)=O Amb21928936 [0,0,0,0,0,0|1,0,2]=3 69 B19R0.149 CCCCCCC\C=C\CCCCCCCCC(=O)Cl Amb22051697 [0,0,0,0,0,0|1,0,2]=3 70 B19R0.149 CCCCCCC\C=C\CCCCCCCCC(O)=O Amb22040077 [0,0,0,0,0,0|1,0,2]=3 71 B19R0.149 CCCCCC\C=C/C=C\CCCCCCCC(O)=O Amb21928933 [0,0,0,0,0,0|1,0,2]=3 72 B19R0.149 CCCCCC\C=C\C=C/CCCCCCCC(O)=O Amb21928935 [0,0,0,0,0,0|1,0,2]=3 73 B19R0.149 CCCCCC\C=C\C=C\CCCCCCCC(O)=O Amb21928938 [0,0,0,0,0,0|1,0,2]=3 74 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O Amb22730266 [0,0,0,0,0,0|1,0,2]=3 75 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O Amb22730426 [0,0,0,0,0,0|1,0,2]=3 76 B19R0.149 CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O Amb22735127 [0,0,0,0,0,0|1,0,2]=3 77 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)Cl Amb22732770 [0,0,0,0,0,0|1,0,2]=3 78 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(=O)[O-] Amb16224872 [0,0,0,0,0,0|1,0,2]=3 79 B19R0.149 CCCCC\C=C\C\C=C\CCCCCCCC(O)=O Amb22359883 [0,0,0,0,0,0|1,0,2]=3 80 B19R0.149 CCCC\C=C\CC\C=C/CCCCCCOC(C)=O Amb21965170 [0,0,0,0,0,0|2,0,2]=4 81 B19R0.149 ICCCCCCCCCCCCCCCCC(=O)O Amb10071542 [0,0,0,0,0,0|2,0,2]=4 82 B19R0.149 OC(=O)CCCCCCCCCCCCCCCCBr Amb19887564 [0,0,0,0,0,0|2,0,2]=4 83 B19R0.149 [13CH3]C[13CH2]C[13CH2]C[13CH2]C\[13CH]=C/[13CH2]C[13CH2]C[13CH2]C[13CH2]C([O-])=O Amb22367644 [0,0,0,0,0,0|1,0,0]=1 84 B19R0.149 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O Amb22353668 [0,0,0,0,0,0|1,0,2]=3 85 B19R0.149 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]\[13CH]=[13CH]/[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]C(O)=O Amb21928779 [0,0,0,0,0,0|1,0,0]=1 86 B19R0.149 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]\[13CH]=[13CH]/[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O Amb22366940 [0,0,0,0,0,0|1,0,0]=1 87 B19R0.149 [13CH3][13CH2][13CH2][13CH2][13CH2]\[13CH]=[13CH]/[13CH2]\[13CH]=[13CH]/[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C]([O-])=O Amb22353864 [0,0,0,0,0,0|1,0,2]=3 88 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl Amb20672053 [1,0,0,0,0,0|1,0,1]=3 89 B18R0.176 CCCCCCCCCCCCCCCCC(C)=O Amb22350513 [1,0,0,0,0,0|1,0,1]=3 90 B18R0.176 CCCCCCCCCCCCCCCCC(O)=O Amb22338458 [1,0,0,0,0,0|1,0,1]=3 91 B18R0.176 CCCCCCCCCCCCCCCCC([O-])=O Amb22357986 [1,0,0,0,0,0|1,0,1]=3 92 B18R0.176 CCCCCCCCCCCCCCCCC([O-])=O Amb22728751 [1,0,0,0,0,0|1,0,1]=3 93 B18R0.176 CCCCCCCCCCCCCCCOC(C)=O Amb22350236 [1,0,0,0,0,0|2,0,1]=4 94 B18R0.176 CCCCCC\C=C\CCCCCCCCC(O)=O Amb21928721 [1,0,0,0,0,0|1,0,2]=4 95 B18R0.176 OC(=O)CCCCCCCCCCCCCCCS Amb22336970 [1,0,0,0,0,0|2,0,1]=4 96 B18R0.221 CCCCCCCCCCCCCCCCCC=O Amb17673738 [1,0,0,0,0,0|0,0,2]=3 97 B18R0.221 CCCCCCCCCCCCCCCCCCN Amb22730201 [1,0,0,0,0,0|0,0,3]=4 98 B18R0.221 CCCCCCCCCCCCCCCCNC=O Amb22052666 [1,0,0,0,0,0|1,0,2]=4 99 B18R0.221 CCCCCCCC\C=C/CCCCCCCCBr Amb22349638 [1,0,0,0,0,0|1,0,1]=3 100 B18R0.221 CCCCCCCC\C=C/CCCCCCCCCl Amb22730180 [1,0,0,0,0,0|1,0,1]=3 101 B18R0.221 CCCCCCCC\C=C/CCCCCCCCO Amb22337889 [1,0,0,0,0,0|0,0,2]=3 102 B18R0.221 CCCCCCC\C=C\CCCCCCCCCN Amb23453297 [1,0,0,0,0,0|0,0,3]=4 103 B20R0.68 CCCCCCCCC(C)CCCCCCCCC(O)=O Amb21928871 [0,1,0,0,0,0|1,0,2]=4 104 B20R0.90 CCCCCCC(=O)C\C=C/CCCCCCCC(O)=O Amb21928976 [0,1,0,0,0,0|1,0,1]=3 105 B20R0.90 CCCCCCC(O)C\C=C/CCCCCCCC([O-])=O Amb22732852 [0,1,0,0,0,0|1,0,0]=2 106 B20R0.90 CCCCCCC(O)C\C=C\CCCCCCCC(O)=O Amb22350077 [0,1,0,0,0,0|1,0,0]=2 107 B20R0.90 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O Amb22348318 [0,1,0,0,0,0|1,0,0]=2 108 B20R0.90 CCCCCC[C@@H](O)C\C=C/CCCCCCCC([O-])=O Amb22799892 [0,1,0,0,0,0|1,0,0]=2 109 B20R0.90 CCCCCC[C@@H](O)C\C=C/CCCCCCCC([O-])=O Amb22800227 [0,1,0,0,0,0|1,0,0]=2 110 B20R0.90 CCCCCC[C@@H](O)C\C=C/CCCCCCCC([O-])=O Amb22800949 [0,1,0,0,0,0|1,0,0]=2 111 B20R0.90 CCCCCC[C@@H](O)C\C=C/CCCCCCCC([O-])=O Amb22801355 [0,1,0,0,0,0|1,0,0]=2 112 B20R0.484 CCCC(O)C\C=C/C\C=C/CCCCCCCC(O)=O Amb19747077 [0,1,0,0,0,0|1,0,2]=4 113 B20R0.2931 CCCCCCCCCCCCCCCC(C)CC(O)=O Amb21935949 [0,1,0,0,0,0|1,0,2]=4 114 B20R0.2931 CCCCCCCCCCCCCCCC(O)CC(O)=O Amb22832001 [0,1,0,0,0,0|1,0,2]=4 115 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)C=C Amb21928895 [0,1,0,0,0,0|1,0,2]=4 116 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)CC Amb21618725 [0,1,0,0,0,0|1,0,2]=4 117 B20R0.3034 CCCCCCCCCCCCCCCCC[13C](=O)OC Amb17617764 [0,1,0,0,0,0|1,0,2]=4 118 B20R0.3034 CCCCCCCCCSCCCCCCCC(=O)OC Amb22352249 [0,1,0,0,0,0|2,0,1]=4 119 B20R0.3034 CCCCCCCC\C=C/CCCCCCC[13C](=O)OC Amb17618859 [0,1,0,0,0,0|1,0,0]=2 120 B20R0.3034 CCCCCCCC\C=C/CC\C=C/CCCC(=O)OC Amb21928943 [0,1,0,0,0,0|1,0,2]=4 121 B20R0.3034 CCCCCCCC\C=C/C\C=C/CCCCC(=O)OC Amb21928940 [0,1,0,0,0,0|1,0,2]=4 122 B20R0.3034 CCCCCCC\C=C\C=C\CCCCCCC(=O)OC Amb21928941 [0,1,0,0,0,0|1,0,2]=4 123 B20R0.3034 CCCCCC\C=C\C=C/CCCCCCCC(=O)OC Amb21928875 [0,1,0,0,0,0|1,0,2]=4 124 B20R0.3034 CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC Amb10807622 [0,1,0,0,0,0|1,0,2]=4 125 B20R0.3037 C#CCCCCCC\C=C/CCCCCCC(C(=O)O)O Amb17615652 [0,1,0,0,0,0|1,0,2]=4 126 B20R0.3037 CCCCCCCCCCCCCCCCC(O)C(O)=O Amb21520312 [0,1,0,0,0,0|1,0,2]=4 127 B20R0.3037 CCCCCCCCCCCCCCCC[C@@H](O)C(O)=O Amb22801224 [0,1,0,0,0,0|1,0,2]=4 128 B20R0.3037 CCCCCCCC\C=C/CCCCCCC(O)C(O)=O Amb22055483 [0,1,0,0,0,0|1,0,0]=2 129 B20R0.22238 CCCCCCCCCCCCC(CCCCC(=O)O)O Amb10810452 [0,1,0,0,0,0|1,0,2]=4 130 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(O)=O Amb21928872 [0,1,0,0,0,0|1,0,2]=4 131 B20R0.31940 CCCCCC=CCC\C=C/CCCCCCOC(C)=O Amb22731846 [0,1,0,0,0,0|2,0,1]=4 132 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)Cl Amb22360628 [0,1,0,0,0,0|1,0,2]=4 133 B20R0.31940 CCCCCCCCCCCCCCCCCCC([O-])=O Amb22357987 [0,1,0,0,0,0|1,0,2]=4 134 B20R0.31940 CCCCCCCCCCCCCCCCCOC(C)=O Amb24325170 [0,1,0,0,0,0|1,0,2]=4 135 B20R0.31940 CCCCCCCC\C=C/CCCCCCCCC(O)=O Amb21520326 [0,1,0,0,0,0|1,0,0]=2 136 B20R0.32990 CCCCC[C@@H](O)\C=C/C=C/CCCCCCCC(O)=O Amb22800421 [0,1,0,0,0,0|1,0,2]=4 137 B20R0.35227 CC(C)CCCCCCCCCCCCCCCC(O)=O Amb21928873 [0,1,0,0,0,0|1,0,2]=4 138 B17R0.43 BrCCCCCCCCCCCCCCC(=O)O Amb16231526 [2,0,0,0,0,0|2,0,0]=4 139 B17R0.43 CCCCCCCCCCCCCCCC(=O)S Amb22056243 [2,0,0,0,0,0|1,0,0]=3 140 B17R0.43 CCCCCCCCCCCCCCCC(=S)O Amb15691801 [2,0,0,0,0,0|1,0,1]=4 141 B17R0.43 CCCCCCCCCCCCCCCC(O)=O Amb22348427 [2,0,0,0,0,0|1,0,0]=3 142 B17R0.43 CCCCCCCCCCCCCCCC(O)=O Amb22349954 [2,0,0,0,0,0|1,0,0]=3 143 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22350518 [2,0,0,0,0,0|1,0,0]=3 144 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22361255 [2,0,0,0,0,0|1,0,0]=3 145 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22730103 [2,0,0,0,0,0|1,0,0]=3 146 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22732179 [2,0,0,0,0,0|1,0,0]=3 147 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22732274 [2,0,0,0,0,0|1,0,0]=3 148 B17R0.43 CCCCCCCCCCCCCCC[13C](O)=O Amb21928730 [2,0,0,0,0,0|1,0,0]=3 149 B17R0.43 CCCCCCCCCCCCCCC[13C]([O-])=O Amb22338989 [2,0,0,0,0,0|1,0,0]=3 150 B17R0.43 CCCCCCCCCCCCCCC[14C](O)=O Amb22352207 [2,0,0,0,0,0|1,0,0]=3 151 B17R0.43 CCCCCCCCCCCCCCOC(=O)Cl Amb22002450 [2,0,0,0,0,0|2,0,0]=4 152 B17R0.43 CCCCCCCCCCCCCC[13CH2]C(O)=O Amb22337967 [2,0,0,0,0,0|1,0,0]=3 153 B17R0.43 CCCCCCCCCCCCCC[13CH2][13C](O)=O Amb22363190 [2,0,0,0,0,0|1,0,0]=3 154 B17R0.43 CCCCCCCCCCCCOCCC(=S)N Amb13953231 [2,0,0,0,0,0|1,1,0]=4 155 B17R0.43 CCCCCCCCCCCCSCCC(=O)N Amb1150923 [2,0,0,0,0,0|1,0,0]=3 156 B17R0.43 CCCCCCCCCCCCSCCC(=O)O Amb1038996 [2,0,0,0,0,0|2,0,0]=4 157 B17R0.43 CCCCCCCCCCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22369000 [2,0,0,0,0,0|1,0,0]=3 158 B17R0.43 CCCCCCCCSCCCCCCC(=O)O Amb1038998 [2,0,0,0,0,0|2,0,0]=4 159 B17R0.43 CCCCCCCC\C=C/CCCCCC(O)=O Amb21928726 [2,0,0,0,0,0|1,0,0]=3 160 B17R0.43 CCCCCCCC\C=C\CCCCOC(C)=O Amb22731395 [2,0,0,0,0,0|2,0,0]=4 161 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)Cl Amb22734795 [2,0,0,0,0,0|1,0,0]=3 162 B17R0.43 CCCCCC\C=C\CCCCCCCC(O)=O Amb22729016 [2,0,0,0,0,0|1,0,0]=3 163 B17R0.43 CCCCCC\C=C\CCCCCCOC(C)=O Amb22730262 [2,0,0,0,0,0|2,0,0]=4 164 B17R0.43 OC(=O)CCCCCCCCCCCCCCS Amb22336885 [2,0,0,0,0,0|2,0,0]=4 165 B17R0.43 [13CH3]CCCCCCCCCCCCCCC(O)=O Amb22367411 [2,0,0,0,0,0|1,0,0]=3 166 B17R0.43 [13CH3]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C(O)=O Amb22367412 [2,0,0,0,0,0|1,0,0]=3 167 B17R0.43 [13CH3]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C([O-])=O Amb22362703 [2,0,0,0,0,0|1,0,0]=3 168 B17R0.43 [13CH3][13CH2]CCCCCCCCCCCCCC(O)=O Amb22367398 [2,0,0,0,0,0|1,0,0]=3 169 B17R0.43 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O Amb22353663 [2,0,0,0,0,0|1,0,0]=3 170 B17R0.117 CCCCCCCCCCCCCCCCC=C Amb22730877 [2,0,0,0,0,0|1,0,1]=4 171 B17R0.117 CCCCCCCCCCCCCCCCC=O Amb17939324 [2,0,0,0,0,0|0,0,1]=3 172 B17R0.117 CCCCCCCCCCCCCCCCCN Amb17674227 [2,0,0,0,0,0|0,0,2]=4 173 B17R0.117 CCCCCCCC\C=C\CCCCCCCC Amb20240675 [2,0,0,0,0,0|0,0,1]=3 174 B17R0.117 OCCCCCCC\C=C/CCCCCCCO Amb22641808 [2,0,0,0,0,0|1,0,1]=4 175 B19R0.35 CCCCCCCCCCCCCCC(O)CC(O)=O Amb21928750 [1,1,0,0,0,0|1,0,1]=4 176 B19R0.148 CCCCCCCCCCCCCCCCC(=O)C=C Amb10562279 [1,1,0,0,0,0|1,0,1]=4 177 B19R0.443 CC(C)CCCCCCCCCCCCCCC(O)=O Amb21928808 [1,1,0,0,0,0|1,0,1]=4 178 B19R0.443 CC(CCCCCCCCCCCCCCC(=O)O)Br Amb10071513 [1,1,0,0,0,0|1,0,1]=4 179 B19R0.21384 CCC(C)CCCCCCCCCCCCCC(O)=O Amb21928806 [1,1,0,0,0,0|1,0,1]=4 180 B19R0.36 OCCCCCCCC\C=C/CCCCCCCCO Amb21928952 [1,1,0,0,0,0|0,0,2]=4 181 B19R0.18065 CCCCCC[C@@H](O)C\C=C/CCCCCCCCO Amb22800973 [1,1,0,0,0,0|0,0,2]=4 182 B21R0.9111 [2H]\C(\CCCCCCCC(O)=O)=C(/[2H])\CCCCCCCC Amb21928934 [0,2,0,0,0,0|1,0,0]=3 183 B21R0.21192 CCCCCCC(O)C\C=C\CCCCCCCC(=O)OC Amb22350251 [0,2,0,0,0,0|1,0,0]=3 184 B21R0.2907 CCCCCCCC/C=C/CCCCCCCC(=O)OC=C Amb17672569 [0,2,0,0,0,0|1,0,0]=3 185 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)NCO Amb22002301 [0,2,0,0,0,0|0,0,2]=4 186 B21R0.2929 CCCCCCCCCC(=O)CCCCCCCC(=O)OC Amb22336641 [0,2,0,0,0,0|1,0,1]=4 187 B21R0.36766 CNC(=O)CNCCCCCCCCCCCCCCCC Amb19967290 [0,2,0,0,0,0|0,0,2]=4 188 B21R0.22911 CC(=O)CCCCCC\C=C/CCCCCCC(C(=O)O)O Amb17615661 [0,2,0,0,0,0|1,0,1]=4 189 B21R0.37123 CCCCCCCC\C=C/CCCCCCC(C(=O)O)(O)C Amb17615537 [0,2,0,0,0,0|1,0,0]=3 190 B21R0.81 CCCCCCCCCCCCCCCCNCCC(N)=O Amb20171942 [0,2,0,0,0,0|0,0,2]=4 191 B21R0.81 CCCCCCCCCC\C=C/CCCCCCCC(O)=O Amb21928704 [0,2,0,0,0,0|1,0,0]=3 192 B21R0.81 CCCCCCCC\C=C/CCCCCCCCCC(O)=O Amb22337523 [0,2,0,0,0,0|1,0,0]=3 193 B21R0.81 CCCCCCCC\C=C/CCCCCCCCOC(=O)N Amb10844664 [0,2,0,0,0,0|0,0,0]=2 194 B21R0.81 CCCCCCCC\C=C/CCCC\C=C/CCCC(O)=O Amb22055168 [0,2,0,0,0,0|1,0,0]=3 195 B21R0.81 CCCCCCCC\C=C\CCCCCCCCCC(=O)Cl Amb22729131 [0,2,0,0,0,0|1,0,0]=3 196 B21R0.81 CCCCCCCC\C=C\CCCCCCCCCC(O)=O Amb22361233 [0,2,0,0,0,0|1,0,0]=3 197 B21R0.81 CCCCCCC\C=C/C\C=C/CCCCCCCC(O)=O Amb21928667 [0,2,0,0,0,0|1,0,0]=3 198 B21R0.9014 OC(=O)CCCCCCC\C=C\CCCCCCCC(O)=O Amb21856100 [0,2,0,0,0,0|1,0,1]=4 199 B19R1.274 CCCCCCCCCCCCC[C@@H]1CCC(=O)O1 Amb24309496 [1,0,0,1,0,0|1,0,1]=4 200 B19R1.46541 CCCCCCC1CC1CCCCCCCC(O)=O Amb22731768 [1,0,0,1,0,0|1,0,1]=4 201 B19R1.27373 CCCCCCCCCCCCC1CCCCC1=O Amb23967660 [1,0,0,1,0,0|0,0,2]=4 202 B19R1.46528 CCCCCCCCCCCCCCC1CCC1=O Amb22731416 [1,0,0,1,0,0|0,0,2]=4 203 B21R1.17805 CCCCCCCCC=1CC1CCCCCCCC(O)=O Amb20240506 [0,1,0,1,0,0|1,0,0]=3 204 B21R1.4643069 OC(=O)CCCCCCCNC(=O)C1CCCCCCC1 Amb24941730 [0,1,0,1,0,0|2,0,0]=4