0 B18R0.176 C=CCCCCCCCCCCCCCCC(=O)O Amb10071540 [0,0,0,0,0,0|1,0,1]=2 1 B18R0.176 CC(C)CCCCCCCCCCCCCCCO Amb22348069 [0,0,0,0,0,0|2,0,1]=3 2 B18R0.176 CCCCCCCCCCCCCCCCC(=O)Cl Amb20672053 [0,0,0,0,0,0|2,0,0]=2 3 B18R0.176 CCCCCCCCCCCCCCCCC(C)=O Amb22350513 [0,0,0,0,0,0|2,0,0]=2 4 B18R0.176 CCCCCCCCCCCCCCCCC(C)C Amb22730065 [0,0,0,0,0,0|3,0,1]=4 5 B18R0.176 CCCCCCCCCCCCCCCCC(O)=O Amb22338458 [0,0,0,0,0,0|1,0,0]=1 6 B18R0.176 CCCCCCCCCCCCCCCCC([O-])=O Amb22357986 [0,0,0,0,0,0|1,0,1]=2 7 B18R0.176 CCCCCCCCCCCCCCCCC([O-])=O Amb22728751 [0,0,0,0,0,0|1,0,1]=2 8 B18R0.176 CCCCCCCCCCCCCCCOC(C)=O Amb22350236 [0,0,0,0,0,0|3,0,0]=3 9 B18R0.176 CCCCCC\C=C\CCCCCCCCC(O)=O Amb21928721 [0,0,0,0,0,0|1,0,2]=3 10 B18R0.176 OC(=O)CCCCCCCCCCCCCCCS Amb22336970 [0,0,0,0,0,0|0,1,0]=1 11 B18R0.176 OCCCCCCC\C=C/C\C=C/CCCC(O)=O Amb19928333 [0,0,0,0,0,0|0,0,4]=4 12 B17R0.43 BrCCCCCCCCCCCCCCC(=O)O Amb16231526 [1,0,0,0,0,0|1,0,0]=2 13 B17R0.43 C#CCCCCCCCCCCCCCC(O)=O Amb22642012 [1,0,0,0,0,0|0,0,2]=3 14 B17R0.43 CCCCCCCCCCCCCCCC(=O)S Amb22056243 [1,0,0,0,0,0|0,1,0]=2 15 B17R0.43 CCCCCCCCCCCCCCCC(=S)O Amb15691801 [1,0,0,0,0,0|0,1,0]=2 16 B17R0.43 CCCCCCCCCCCCCCCC(C)C Amb22730066 [1,0,0,0,0,0|2,0,1]=4 17 B17R0.43 CCCCCCCCCCCCCCCC(O)=O Amb22348427 [1,0,0,0,0,0|0,0,0]=1 18 B17R0.43 CCCCCCCCCCCCCCCC(O)=O Amb22349954 [1,0,0,0,0,0|0,0,0]=1 19 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22350518 [1,0,0,0,0,0|0,0,1]=2 20 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22361255 [1,0,0,0,0,0|0,0,1]=2 21 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22730103 [1,0,0,0,0,0|0,0,1]=2 22 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22732179 [1,0,0,0,0,0|0,0,1]=2 23 B17R0.43 CCCCCCCCCCCCCCCC([O-])=O Amb22732274 [1,0,0,0,0,0|0,0,1]=2 24 B17R0.43 CCCCCCCCCCCCCCC[13C](O)=O Amb21928730 [1,0,0,0,0,0|0,0,0]=1 25 B17R0.43 CCCCCCCCCCCCCCC[13C]([O-])=O Amb22338989 [1,0,0,0,0,0|0,0,1]=2 26 B17R0.43 CCCCCCCCCCCCCCC[14C](O)=O Amb22352207 [1,0,0,0,0,0|0,0,0]=1 27 B17R0.43 CCCCCCCCCCCCCCOC(=O)Cl Amb22002450 [1,0,0,0,0,0|2,0,0]=3 28 B17R0.43 CCCCCCCCCCCCCC[13CH2]C(O)=O Amb22337967 [1,0,0,0,0,0|0,0,0]=1 29 B17R0.43 CCCCCCCCCCCCCC[13CH2][13C](O)=O Amb22363190 [1,0,0,0,0,0|0,0,0]=1 30 B17R0.43 CCCCCCCCCCCCC\C=C\C(O)=O Amb22732588 [1,0,0,0,0,0|0,0,2]=3 31 B17R0.43 CCCCCCCCCCCCOCCC(=S)N Amb13953231 [1,0,0,0,0,0|2,1,0]=4 32 B17R0.43 CCCCCCCCCCCCSCCC(=O)N Amb1150923 [1,0,0,0,0,0|2,0,0]=3 33 B17R0.43 CCCCCCCCCCCCSCCC(=O)O Amb1038996 [1,0,0,0,0,0|1,0,0]=2 34 B17R0.43 CCCCCCCCCCCC[13CH2][13CH2][13CH2][13C](O)=O Amb22369000 [1,0,0,0,0,0|0,0,0]=1 35 B17R0.43 CCCCCCCCC\C=C/CCCCC(O)=O Amb21928725 [1,0,0,0,0,0|0,0,2]=3 36 B17R0.43 CCCCCCCCSCCCCCCC(=O)O Amb1038998 [1,0,0,0,0,0|1,0,0]=2 37 B17R0.43 CCCCCCCC\C=C/CCCCCC(O)=O Amb21928726 [1,0,0,0,0,0|0,0,2]=3 38 B17R0.43 CCCCCC\C=C/CCCCCCCC(=O)Cl Amb22734795 [1,0,0,0,0,0|1,0,2]=4 39 B17R0.43 CCCCCC\C=C\CCCCCCCC(O)=O Amb22729016 [1,0,0,0,0,0|0,0,2]=3 40 B17R0.43 CCCC\C=C/CCCCCCCCCC(O)=O Amb21928729 [1,0,0,0,0,0|0,0,2]=3 41 B17R0.43 OC(=O)CCCCCCCCCCCCCCS Amb22336885 [1,0,0,0,0,0|0,1,0]=2 42 B17R0.43 [13CH3]CCCCCCCCCCCCCCC(O)=O Amb22367411 [1,0,0,0,0,0|0,0,0]=1 43 B17R0.43 [13CH3]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C(O)=O Amb22367412 [1,0,0,0,0,0|0,0,0]=1 44 B17R0.43 [13CH3]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C[13CH2]C([O-])=O Amb22362703 [1,0,0,0,0,0|0,0,1]=2 45 B17R0.43 [13CH3][13CH2]CCCCCCCCCCCCCC(O)=O Amb22367398 [1,0,0,0,0,0|0,0,0]=1 46 B17R0.43 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O Amb22353663 [1,0,0,0,0,0|0,0,0]=1 47 B17R0.117 BrCCCCCCCCCCCCCCCCBr Amb22388776 [1,0,0,0,0,0|2,0,1]=4 48 B17R0.117 C=CCCCCCCCCCCCCCCC=C Amb22641571 [1,0,0,0,0,0|2,0,1]=4 49 B17R0.117 CCCCCCCCCCCCCCCCC#N Amb22366784 [1,0,0,0,0,0|2,0,1]=4 50 B17R0.117 CCCCCCCCCCCCCCCCC=C Amb22730877 [1,0,0,0,0,0|2,0,0]=3 51 B17R0.117 CCCCCCCCCCCCCCCCC=O Amb17939324 [1,0,0,0,0,0|1,0,0]=2 52 B17R0.117 CCCCCCCCCCCCCCCCCC Amb22338200 [1,0,0,0,0,0|2,0,1]=4 53 B17R0.117 CCCCCCCCCCCCCCCCCN Amb17674227 [1,0,0,0,0,0|2,0,1]=4 54 B17R0.117 CCCCCCCCCCCCCCCCC[14CH3] Amb22731702 [1,0,0,0,0,0|2,0,1]=4 55 B17R0.117 CCCCCCCCCCCCCCCCNC Amb22369363 [1,0,0,0,0,0|3,0,0]=4 56 B17R0.117 CCCCCCCCCCCCCCCC[Hg]Br Amb22347120 [1,0,0,0,0,0|3,0,0]=4 57 B17R0.117 CCCCCCCCCCCCCCCN=C=O Amb22351995 [1,0,0,0,0,0|2,0,1]=4 58 B17R0.117 ClCCCCCCCCCCCCCCCCBr Amb22369179 [1,0,0,0,0,0|2,0,1]=4 59 B17R0.117 OCCCCCCCC#CCCCCCCCO Amb22641813 [1,0,0,0,0,0|0,0,3]=4 60 B17R0.117 OCCCCCCCCCCCCCCCCO Amb21936051 [1,0,0,0,0,0|0,0,1]=2 61 B17R0.117 OCCCCCCCCCCCCCCCCS Amb2447019 [1,0,0,0,0,0|0,1,1]=3 62 B17R0.117 OCCCCCCC\C=C/CCCCCCCO Amb22641808 [1,0,0,0,0,0|0,0,3]=4 63 B17R0.117 OCCSCCCCCCCCCCSCCO Amb22734277 [1,0,0,0,0,0|2,0,1]=4 64 B17R0.117 SCCCCCCCCCCCCCCCCS Amb20672054 [1,0,0,0,0,0|0,2,1]=4 65 B19R0.35 CCCCCCCCCCCCCCC(O)CC(O)=O Amb21928750 [0,1,0,0,0,0|1,0,0]=2 66 B19R0.148 BrCCCCCCCCCCCCCCCC(=O)OC Amb10071547 [0,1,0,0,0,0|1,0,0]=2 67 B19R0.148 CCCCCCCCCCCCCCCCC(=O)C=C Amb10562279 [0,1,0,0,0,0|2,0,0]=3 68 B19R0.148 CCCCCCCCCCCCCCCC[C@@H](O)CO Amb22799651 [0,1,0,0,0,0|1,0,2]=4 69 B19R0.148 CCCCCCCCCC\C=C/CCCCC(=O)OC Amb22731087 [0,1,0,0,0,0|1,0,2]=4 70 B19R0.148 CCCCCC\C=C/CCCCCCCCC(=O)OC Amb22352444 [0,1,0,0,0,0|1,0,2]=4 71 B19R0.149 C#CCCCCCCCCCCCCCCCC(O)=O Amb19930518 [0,1,0,0,0,0|1,0,0]=2 72 B19R0.149 CCCCCC#CCCCCCCCCCCC(O)=O Amb22350041 [0,1,0,0,0,0|1,0,1]=3 73 B19R0.149 CCCCCCCCCCC#CCCCCCC(=O)O Amb10072581 [0,1,0,0,0,0|1,0,1]=3 74 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl Amb16232724 [0,1,0,0,0,0|2,0,0]=3 75 B19R0.149 CCCCCCCCCCCCCCCCCC(C)O Amb22369070 [0,1,0,0,0,0|2,0,1]=4 76 B19R0.149 CCCCCCCCCCCCCCCCCC(N)=S Amb22359769 [0,1,0,0,0,0|2,1,0]=4 77 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22336663 [0,1,0,0,0,0|1,0,0]=2 78 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22352822 [0,1,0,0,0,0|1,0,0]=2 79 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22353520 [0,1,0,0,0,0|1,0,0]=2 80 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22360658 [0,1,0,0,0,0|1,0,0]=2 81 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22360670 [0,1,0,0,0,0|1,0,0]=2 82 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22731026 [0,1,0,0,0,0|1,0,0]=2 83 B19R0.149 CCCCCCCCCCCCCCCCCC(O)=O Amb22735002 [0,1,0,0,0,0|1,0,0]=2 84 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb20246452 [0,1,0,0,0,0|1,0,1]=3 85 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb21962914 [0,1,0,0,0,0|1,0,1]=3 86 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22045499 [0,1,0,0,0,0|1,0,1]=3 87 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22052433 [0,1,0,0,0,0|1,0,1]=3 88 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22168327 [0,1,0,0,0,0|1,0,1]=3 89 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22276139 [0,1,0,0,0,0|1,0,1]=3 90 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22360648 [0,1,0,0,0,0|1,0,1]=3 91 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22552492 [0,1,0,0,0,0|1,0,1]=3 92 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22729061 [0,1,0,0,0,0|1,0,1]=3 93 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22729091 [0,1,0,0,0,0|1,0,1]=3 94 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22730641 [0,1,0,0,0,0|1,0,1]=3 95 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22730931 [0,1,0,0,0,0|1,0,1]=3 96 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22731292 [0,1,0,0,0,0|1,0,1]=3 97 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22731742 [0,1,0,0,0,0|1,0,1]=3 98 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22732275 [0,1,0,0,0,0|1,0,1]=3 99 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22732705 [0,1,0,0,0,0|1,0,1]=3 100 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22733869 [0,1,0,0,0,0|1,0,1]=3 101 B19R0.149 CCCCCCCCCCCCCCCCCC([O-])=O Amb22733890 [0,1,0,0,0,0|1,0,1]=3 102 B19R0.149 CCCCCCCCCCCCCCCCC[13C](=O)O Amb17620144 [0,1,0,0,0,0|1,0,0]=2 103 B19R0.149 CCCCCCCCCCCCCCCCC[14C](O)=O Amb22352519 [0,1,0,0,0,0|1,0,0]=2 104 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)Cl Amb19944676 [0,1,0,0,0,0|2,0,0]=3 105 B19R0.149 CCCCCCCCCCCCCCCCSC(C)=O Amb22345982 [0,1,0,0,0,0|2,0,0]=3 106 B19R0.149 CCCCCCCCCCCCCCCC[13CH2]C(O)=O Amb22367350 [0,1,0,0,0,0|1,0,0]=2 107 B19R0.149 CCCCCCCCCCCCCCCC[13CH2][13C](O)=O Amb22367511 [0,1,0,0,0,0|1,0,0]=2 108 B19R0.149 CCCCCCCCCCCCSCCCCC(=O)O Amb1150949 [0,1,0,0,0,0|1,0,0]=2 109 B19R0.149 CCCCCCCCCCC\C=C/CCCCC(O)=O Amb22350254 [0,1,0,0,0,0|1,0,1]=3 110 B19R0.149 CCCCCCCCCCC\C=C\CCCCC(O)=O Amb22732392 [0,1,0,0,0,0|1,0,1]=3 111 B19R0.149 CCCCCCCCC\C=C/CCCCCCC(O)=O Amb21928953 [0,1,0,0,0,0|1,0,1]=3 112 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(=O)N Amb17618835 [0,1,0,0,0,0|2,0,1]=4 113 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22337682 [0,1,0,0,0,0|1,0,1]=3 114 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22351280 [0,1,0,0,0,0|1,0,1]=3 115 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22360659 [0,1,0,0,0,0|1,0,1]=3 116 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22432561 [0,1,0,0,0,0|1,0,1]=3 117 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22730958 [0,1,0,0,0,0|1,0,1]=3 118 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22733375 [0,1,0,0,0,0|1,0,1]=3 119 B19R0.149 CCCCCCCC\C=C/CCCCCCCC(O)=O Amb22734450 [0,1,0,0,0,0|1,0,1]=3 120 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb19960036 [0,1,0,0,0,0|1,0,2]=4 121 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb20246443 [0,1,0,0,0,0|1,0,2]=4 122 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb21520391 [0,1,0,0,0,0|1,0,2]=4 123 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22338064 [0,1,0,0,0,0|1,0,2]=4 124 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22349267 [0,1,0,0,0,0|1,0,2]=4 125 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22729194 [0,1,0,0,0,0|1,0,2]=4 126 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22729375 [0,1,0,0,0,0|1,0,2]=4 127 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22729952 [0,1,0,0,0,0|1,0,2]=4 128 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22730357 [0,1,0,0,0,0|1,0,2]=4 129 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22730716 [0,1,0,0,0,0|1,0,2]=4 130 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22731019 [0,1,0,0,0,0|1,0,2]=4 131 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22733452 [0,1,0,0,0,0|1,0,2]=4 132 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22733454 [0,1,0,0,0,0|1,0,2]=4 133 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22734062 [0,1,0,0,0,0|1,0,2]=4 134 B19R0.149 CCCCCCCC\C=C/CCCCCCCC([O-])=O Amb22734215 [0,1,0,0,0,0|1,0,2]=4 135 B19R0.149 CCCCCCCC\C=C/CCCCCCC[13C](=O)O Amb17618858 [0,1,0,0,0,0|1,0,1]=3 136 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(=O)Cl Amb20001478 [0,1,0,0,0,0|2,0,1]=4 137 B19R0.149 CCCCCCCC\C=C\CCCCCCCC(O)=O Amb22369201 [0,1,0,0,0,0|1,0,1]=3 138 B19R0.149 CCCCCCCC\[13CH]=[13CH]/CCCCCCC[13C](O)=O Amb22353961 [0,1,0,0,0,0|1,0,1]=3 139 B19R0.149 CCCCCCCC\[13CH]=[13CH]/[13CH2][13CH2]CCC[13CH2][13CH2][13C](O)=O Amb22353878 [0,1,0,0,0,0|1,0,1]=3 140 B19R0.149 CCCCCCC\C=C\CCCCCCCCC(=O)Cl Amb22051697 [0,1,0,0,0,0|2,0,1]=4 141 B19R0.149 CCCCCCC\C=C\CCCCCCCCC(O)=O Amb22040077 [0,1,0,0,0,0|1,0,1]=3 142 B19R0.149 CCCCCC\C=C/CCCCCCCCCC(=O)Cl Amb22349882 [0,1,0,0,0,0|2,0,1]=4 143 B19R0.149 CCCCCC\C=C\CCCCCCCCC[13C](O)=O Amb22338962 [0,1,0,0,0,0|1,0,1]=3 144 B19R0.149 CCCC\C=C\CCCCCCCCCCCC(O)=O Amb22348161 [0,1,0,0,0,0|1,0,1]=3 145 B19R0.149 ICCCCCCCCCCCCCCCCC(=O)O Amb10071542 [0,1,0,0,0,0|1,0,0]=2 146 B19R0.149 OC(=O)CCCCCCCCCCCCCCCCBr Amb19887564 [0,1,0,0,0,0|1,0,0]=2 147 B19R0.149 [13CH3]C[13CH2]C[13CH2]C[13CH2]C\[13CH]=C/[13CH2]C[13CH2]C[13CH2]C[13CH2]C([O-])=O Amb22367644 [0,1,0,0,0,0|1,0,2]=4 148 B19R0.149 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O Amb22353668 [0,1,0,0,0,0|1,0,0]=2 149 B19R0.149 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]\[13CH]=[13CH]/[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]C(O)=O Amb21928779 [0,1,0,0,0,0|1,0,1]=3 150 B19R0.149 [13CH3][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2]\[13CH]=[13CH]/[13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13CH2][13C](O)=O Amb22366940 [0,1,0,0,0,0|1,0,1]=3 151 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(O)=O Amb22729956 [0,1,0,0,0,0|2,0,1]=4 152 B19R0.443 CC(C)CCCCCCCCCCCCCCC(O)=O Amb21928808 [0,1,0,0,0,0|1,0,0]=2 153 B19R0.443 CC(CCCCCCCCCCCCCCC(=O)O)Br Amb10071513 [0,1,0,0,0,0|1,0,0]=2 154 B19R0.3040 CCCC(F)CCCCCCCSCCCCC(O)=O Amb20241157 [0,1,0,0,0,0|2,0,0]=3 155 B19R0.3102 CCCCCCCCCCCCCCCCP(C)(C)=O Amb22359039 [0,1,0,0,0,0|3,0,0]=4 156 B19R0.3102 CCCCCCCCCCCCCCCCP(O)(O)=O Amb22388779 [0,1,0,0,0,0|2,0,0]=3 157 B19R0.3102 CCCCCCCCCCCCCCCCS([O-])(=O)=O Amb22346276 [0,1,0,0,0,0|2,0,1]=4 158 B19R0.3102 CCCCCCCCCCCCCCCC[Si](C)(O)O Amb22351315 [0,1,0,0,0,0|1,1,1]=4 159 B19R0.21384 CCC(C)CCCCCCCCCCCCCC(O)=O Amb21928806 [0,1,0,0,0,0|1,0,0]=2 160 B19R0.26214 CCCCCCCCCC(=O)NCCCCCC(=O)O Amb1039625 [0,1,0,0,0,0|2,0,1]=4 161 B19R1.274 CCCCCCCCCCCCCC1OC(=O)C=C1 Amb17779781 [0,0,0,1,0,0|1,0,2]=4 162 B19R1.274 CCCCCCCCCCCCC[C@@H]1CCC(=O)O1 Amb24309496 [0,0,0,1,0,0|1,0,0]=2 163 B19R1.46520 CCCCCCCCCCCCCCCCC1CO1 Amb10807770 [0,0,0,1,0,0|2,0,1]=4 164 B19R1.46541 CCCCCCC1CC1CCCCCCCC(O)=O Amb22731768 [0,0,0,1,0,0|1,0,0]=2 165 B19R1.49447 OC(=O)CCCNC1CCCCCCCCCCC1 Amb23918289 [0,0,0,1,0,0|2,0,0]=3 166 B16R0.274 C=CCCCCCCCCCCCCC(O)=O Amb22489917 [2,0,0,0,0,0|0,0,2]=4 167 B16R0.274 CCCCCCCCCCCCCCC(C)=O Amb22055377 [2,0,0,0,0,0|1,0,0]=3 168 B16R0.274 CCCCCCCCCCCCCOC(C)=O Amb22352318 [2,0,0,0,0,0|2,0,0]=4 169 B16R0.274 CCCCCCCCCCCCSCC(=O)O Amb1085920 [2,0,0,0,0,0|1,0,0]=3 170 B16R0.274 CCCCCCCCCCNCCCC(O)=O Amb20622364 [2,0,0,0,0,0|1,0,0]=3 171 B16R0.274 CCCCCCCCCCNCCCC(O)=O Amb22059079 [2,0,0,0,0,0|1,0,0]=3 172 B16R0.274 CCCC\C=C/CCCCCCCCC(O)=O Amb21929003 [2,0,0,0,0,0|0,0,2]=4 173 B16R0.274 CCCC\C=C\CCCCCCCCC(O)=O Amb21929004 [2,0,0,0,0,0|0,0,2]=4 174 B16R0.274 OCCCCCCCCCCCCCC(O)=O Amb22489916 [2,0,0,0,0,0|0,0,0]=2 175 B16R0.303 CCCCCCCCCCCCCCCC#C Amb1056543 [2,0,0,0,0,0|1,0,1]=4 176 B16R0.303 CCCCCCCCCCCCCCCCF Amb16185885 [2,0,0,0,0,0|1,0,1]=4 177 B16R0.303 CCCCCCCCCCCCCCCCN Amb10571100 [2,0,0,0,0,0|1,0,1]=4 178 B16R0.303 CCCCCCCCCCCCCCCCN Amb10571104 [2,0,0,0,0,0|1,0,1]=4 179 B16R0.303 CCCCCCCCCCCCCCCCN Amb22731168 [2,0,0,0,0,0|1,0,1]=4 180 B16R0.303 CCCCCCCCCCCCCCC[Mg]Br Amb22366871 [2,0,0,0,0,0|2,0,0]=4 181 B16R0.303 CCCCCCCCCCCCCCN=C=O Amb10070640 [2,0,0,0,0,0|1,0,1]=4 182 B16R0.303 CCCCCCCCCCCCC\C=C\C=O Amb17614921 [2,0,0,0,0,0|0,0,2]=4 183 B16R0.303 CCCCCCCC\C=C/CCCCCC=O Amb22732373 [2,0,0,0,0,0|0,0,2]=4 184 B16R0.303 CCCCC\C=C\CCCCCCCCC=O Amb22055379 [2,0,0,0,0,0|0,0,2]=4 185 B16R0.303 CCCC\C=C/CCCCCCCCCC=O Amb10807576 [2,0,0,0,0,0|0,0,2]=4 186 B16R0.303 OCCCCCCCCCCCCCCCBr Amb1818124 [2,0,0,0,0,0|1,0,0]=3 187 B16R0.303 OCCCCCCCCCCCCCCCO Amb1806643 [2,0,0,0,0,0|0,0,0]=2 188 B16R0.303 [2H]CCCCCCCCCCCCCCCC Amb22351632 [2,0,0,0,0,0|1,0,1]=4 189 B18R0.114 CCC(C)CCCCCCCCCCCCC(O)=O Amb21928810 [1,1,0,0,0,0|0,0,0]=2 190 B18R0.114 OC(=O)CCCCCCCCCCCCC(F)CBr Amb22547627 [1,1,0,0,0,0|1,0,0]=3 191 B18R0.127 CCCCCCC(C)CCCCCCCCC(O)=O Amb21928809 [1,1,0,0,0,0|0,0,0]=2 192 B18R0.171 CCCCCCCCCCCCCCNC(=O)CCl Amb22345972 [1,1,0,0,0,0|2,0,0]=4 193 B18R0.171 CCCCCCCCCCCCCCOC(=O)C=C Amb24325453 [1,1,0,0,0,0|2,0,0]=4 194 B18R0.171 CCCCCCCCC\C=C/CCCCC(=O)OC Amb21928728 [1,1,0,0,0,0|0,0,2]=4 195 B18R0.171 CCCCCCCC\C=C/CCCCCC(=O)OC Amb21928815 [1,1,0,0,0,0|0,0,2]=4 196 B18R0.171 CCCCCC\C=C/CCCCCCCC(=O)OC Amb22263078 [1,1,0,0,0,0|0,0,2]=4 197 B18R0.171 CCCCCC\C=C\CCCCCCCC(=O)OC Amb22352262 [1,1,0,0,0,0|0,0,2]=4 198 B18R0.171 CCCC\C=C\CCCCCCCCCC(=O)OC Amb22264661 [1,1,0,0,0,0|0,0,2]=4 199 B18R0.171 COC(=O)CCCCCCCCCCCCCCO Amb21928838 [1,1,0,0,0,0|0,0,0]=2 200 B18R0.171 OCCCCCCCCCCCCCCC(=O)NN Amb1778664 [1,1,0,0,0,0|1,0,0]=3 201 B18R0.174 CCCCCCCCCCCCCCC(Br)C(O)=O Amb17836476 [1,1,0,0,0,0|0,0,0]=2 202 B18R0.174 CCCCCCCCCCCCCCC(C)C(O)=O Amb22731051 [1,1,0,0,0,0|0,0,0]=2 203 B18R0.174 CCCCCCCCCCCCCCC(F)C(O)=O Amb22489952 [1,1,0,0,0,0|0,0,0]=2 204 B18R0.174 CCCCCCCCCCCCCCC(N)C(O)=O Amb21520308 [1,1,0,0,0,0|0,0,0]=2 205 B18R0.174 CCCCCCCCCCCCSC[C@@H](N)C(O)=O Amb23926718 [1,1,0,0,0,0|1,0,0]=3 206 B18R0.182 CCCCCCCCCCCCCCCP(O)(O)=O Amb22831962 [1,1,0,0,0,0|1,0,0]=3 207 B18R0.182 CCCCCCCCCCCCCCCS([O-])(=O)=O Amb22734042 [1,1,0,0,0,0|1,0,1]=4 208 B18R0.182 CCCCCCCCCCCCCCOS(O)(=O)=O Amb22351915 [1,1,0,0,0,0|2,0,0]=4 209 B18R0.220 CCCCCCCCCCCCCC(O)CC(O)=O Amb21928751 [1,1,0,0,0,0|0,0,0]=2 210 B18R0.974 CC(C)CCCCCCCCCCCCCC(O)=O Amb21928811 [1,1,0,0,0,0|0,0,0]=2 211 B18R0.974 CC(C)CCCCCCCCCCCCNC(C)=O Amb22054615 [1,1,0,0,0,0|2,0,0]=4 212 B18R0.974 OC(=O)CCCCCCCCCCCCCC(=O)O Amb10807608 [1,1,0,0,0,0|0,0,1]=3 213 B18R0.11628 CCCCCCCCCC(=O)NCCCCC(=O)O Amb1017171 [1,1,0,0,0,0|1,0,1]=4 214 B18R0.17430 CCCCCCCCCCC(O)CCCCC(O)=O Amb23496195 [1,1,0,0,0,0|0,0,0]=2 215 B18R0.19183 CCCCCCCCCCCCS(=O)CCC(=O)O Amb1085922 [1,1,0,0,0,0|1,0,0]=3 216 B18R0.221 C=CCCCCCCCCCCCCCCCC=C Amb22641572 [1,1,0,0,0,0|2,0,0]=4 217 B18R0.221 C=CCCCCCCCCCCCCCCCCBr Amb24323318 [1,1,0,0,0,0|2,0,0]=4 218 B18R0.221 CCCCCCCCCCCCCCCCCC=O Amb17673738 [1,1,0,0,0,0|1,0,0]=3 219 B18R0.221 CCCCCCCCCCCCCCCCCCO Amb22735007 [1,1,0,0,0,0|1,0,1]=4 220 B18R0.221 CCCCCCCCCCCCCCCCN=C=O Amb19886518 [1,1,0,0,0,0|1,0,1]=4 221 B18R0.221 CCCCCCCCCCCCCCCCNC=O Amb22052666 [1,1,0,0,0,0|1,0,0]=3 222 B18R0.221 CCCCCCCCCCCCCCCC\C=C\O Amb21928947 [1,1,0,0,0,0|1,0,0]=3 223 B18R0.221 CCCCCCCCCCCCCCC\C=C\C=O Amb17618788 [1,1,0,0,0,0|1,0,1]=4 224 B18R0.221 CCCCCCCCCCCCCCC\C=C\CO Amb24053094 [1,1,0,0,0,0|1,0,1]=4 225 B18R0.221 CCCCCC\C=C/CCCCCCCCCC=O Amb22740004 [1,1,0,0,0,0|1,0,1]=4 226 B18R0.221 CCCC\C=C\CCCCCCCCCCCC=O Amb22734028 [1,1,0,0,0,0|1,0,1]=4 227 B18R0.221 O=CCCCCCCCCCCC\C=C/CCCC Amb17618794 [1,1,0,0,0,0|1,0,1]=4 228 B20R0.2931 CCCCCCCCCCCCCCCC(C)CC(O)=O Amb21935949 [0,2,0,0,0,0|1,0,0]=3 229 B20R0.2931 CCCCCCCCCCCCCCCC(O)CC(O)=O Amb22832001 [0,2,0,0,0,0|1,0,0]=3 230 B20R0.32503 CCCCCCCCCCCCCCC(O)CC(=O)OC Amb21928827 [0,2,0,0,0,0|1,0,0]=3 231 B20R0.68 CCCCCCCCC(C)CCCCCCCCC(O)=O Amb21928871 [0,2,0,0,0,0|1,0,0]=3 232 B20R0.20160 OC(=O)CCCCCCCCC(=O)CCCCCC(O)=O Amb22347551 [0,2,0,0,0,0|0,0,2]=4 233 B20R0.31917 OCCCCCCC(O)C(O)CCCCCCCC(O)=O Amb17846583 [0,2,0,0,0,0|0,0,0]=2 234 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OC=C Amb22366886 [0,2,0,0,0,0|1,0,0]=3 235 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC Amb21618906 [0,2,0,0,0,0|1,0,0]=3 236 B20R0.3034 BrCCCCCCCCCCCCCCCCC(=O)OC Amb10071546 [0,2,0,0,0,0|1,0,0]=3 237 B20R0.3034 CCCCCCCCCCC#CCCCCCC(=O)OC Amb22348204 [0,2,0,0,0,0|1,0,1]=4 238 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)C=C Amb21928895 [0,2,0,0,0,0|2,0,0]=4 239 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)CC Amb21618725 [0,2,0,0,0,0|2,0,0]=4 240 B20R0.3034 CCCCCCCCCCCCCCCCC[13C](=O)OC Amb17617764 [0,2,0,0,0,0|1,0,0]=3 241 B20R0.3034 CCCCCCCCCCCCCCCCNC(=O)CBr Amb19958271 [0,2,0,0,0,0|2,0,0]=4 242 B20R0.3034 CCCCCCCCCCCCCCCCOC(=O)C=C Amb22729711 [0,2,0,0,0,0|2,0,0]=4 243 B20R0.3034 CCCCCCCCCCCCCCC\C=C\C(=O)OC Amb21928946 [0,2,0,0,0,0|1,0,1]=4 244 B20R0.3034 CCCCCCCCCCC\C=C\CCCCC(=O)OC Amb22348220 [0,2,0,0,0,0|1,0,1]=4 245 B20R0.3034 CCCCCCCCCSCCCCCCCC(=O)OC Amb22352249 [0,2,0,0,0,0|1,0,0]=3 246 B20R0.3034 CCCCCCCC\C=C/CCCCCCC[13C](=O)OC Amb17618859 [0,2,0,0,0,0|1,0,1]=4 247 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCO Amb21928828 [0,2,0,0,0,0|0,0,0]=2 248 B20R0.3037 CCCCCCCCCCCCCCCCC(O)C(O)=O Amb21520312 [0,2,0,0,0,0|1,0,0]=3 249 B20R0.3037 CCCCCCCCCCCCCCCC[C@@H](O)C(O)=O Amb22801224 [0,2,0,0,0,0|1,0,0]=3 250 B20R0.3037 CCCCCCCC\C=C/CCCCCCC(O)C(O)=O Amb22055483 [0,2,0,0,0,0|1,0,1]=4 251 B20R0.25987 CCC(C)CCCCCCCCCCCCCC(=O)OC Amb21928851 [0,2,0,0,0,0|1,0,0]=3 252 B20R0.26099 CCC(C)CCCCCCCCCCCCCCC(O)=O Amb21928872 [0,2,0,0,0,0|1,0,0]=3 253 B20R0.26099 COC(=O)CCCCCCCCCCCCCCC(C)C Amb21928853 [0,2,0,0,0,0|1,0,0]=3 254 B20R0.26099 ClCC(CCCCCCCCCCCCCCC(=O)O)Cl Amb10071529 [0,2,0,0,0,0|1,0,0]=3 255 B20R0.90 CCCCCCC(=O)CCCCCCCCCCC(=O)[O-] Amb17616394 [0,2,0,0,0,0|1,0,1]=4 256 B20R0.90 CCCCCCC(=O)CCCCCCCCCCC(O)=O Amb19132899 [0,2,0,0,0,0|1,0,0]=3 257 B20R0.90 CCCCCCC(O)C\C=C\CCCCCCCC(O)=O Amb22350077 [0,2,0,0,0,0|1,0,1]=4 258 B20R0.90 CCCCCC[C@@H](O)C\C=C/CCCCCCCC(O)=O Amb22348318 [0,2,0,0,0,0|1,0,1]=4 259 B20R0.10422 CCCCCCCCCCCC(=O)CCCCCC(O)=O Amb22504072 [0,2,0,0,0,0|1,0,0]=3 260 B20R0.22238 CCCCCCCCCCCCC(CCCCC(=O)O)O Amb10810452 [0,2,0,0,0,0|1,0,0]=3 261 B20R0.22238 CCCCCCCCCCCCC(\C=C\CCC(=O)O)O Amb15770290 [0,2,0,0,0,0|1,0,1]=4 262 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)Cl Amb22360628 [0,2,0,0,0,0|2,0,0]=4 263 B20R0.31940 CCCCCCCCCCCCCCCCCCC([O-])=O Amb22357987 [0,2,0,0,0,0|1,0,1]=4 264 B20R0.31940 CCCCCCCCCCCCCCCCCOC(C)=O Amb24325170 [0,2,0,0,0,0|2,0,0]=4 265 B20R0.31940 CCCCCCCC\C=C/CCCCCCCCC(O)=O Amb21520326 [0,2,0,0,0,0|1,0,0]=3 266 B20R0.32509 CCCCCCCCCCCCCCCCOP(O)(O)=O Amb24118057 [0,2,0,0,0,0|2,0,0]=4 267 B20R0.32509 CCCCCCCCCCCCCCCCOP([O-])(O)=O Amb22641439 [0,2,0,0,0,0|2,0,0]=4 268 B20R0.35227 CC(C)CCCCCCCCCCCCCCCC(O)=O Amb21928873 [0,2,0,0,0,0|1,0,0]=3 269 B20R0.35227 OC(=O)CCCCCCCCCCCCCCCC(O)=O Amb24184044 [0,2,0,0,0,0|0,0,0]=2 270 B20R0.20084 [2H]C([2H])([2H])CCCCCCCCCCCCCCC(O)=O Amb21928731 [0,2,0,0,0,0|1,0,0]=3 271 B18R1.5438 CCCCOCCNCC1CCCCC1C(O)=O Amb24013592 [1,0,0,1,0,0|2,0,0]=4 272 B18R1.13791 O=C1CCCCCC=CCCCCCCCCO1 Amb22168166 [1,0,0,1,0,0|0,0,2]=4 273 B18R1.13791 O=C1CCCCCCCCOCCCCCCO1 Amb22489915 [1,0,0,1,0,0|1,0,0]=3 274 B18R1.13791 OC1CCCCCCCCCCCCCCCC1 Amb22448679 [1,0,0,1,0,0|1,0,1]=4 275 B18R1.17819 OC(=O)CCCCCCCCCCC1CCC1=O Amb17618954 [1,0,0,1,0,0|0,0,2]=4 276 B18R1.1280 CCCCCCCCCCC1CCCCCC1=O Amb23967668 [1,0,0,1,0,0|1,0,0]=3 277 B20R1.30794 OC(=O)CCCCCCCNC(=O)CC1CCCCO1 Amb24954411 [0,1,0,1,0,0|1,0,1]=4 278 B20R1.30794 OC(C[NH+]1CCCCC1)CCCCCCCCC(O)=O Amb21888006 [0,1,0,1,0,0|2,0,0]=4 279 B20R1.80299 COC(=O)CCCCCCCCCCN1CCCCC1 Amb1785658 [0,1,0,1,0,0|2,0,0]=4 280 B20R1.80299 COC(=O)CCCCCCCCCC[NH+]1CCCCC1 Amb1786518 [0,1,0,1,0,0|2,0,0]=4 281 B20R1.31096 OC(=O)CCCCCCCCCCCC[C@@H]1CCC=C1 Amb21856064 [0,1,0,1,0,0|1,0,0]=3 282 B20R2.10542 OC(=O)CCCCN1CCCC1CC2CCCCC2 Amb24868320 [0,0,0,2,0,0|2,0,0]=4 283 B20R2.171608 OC(=O)CCCCN1CCCC1CCC2CCCC2 Amb24867671 [0,0,0,2,0,0|2,0,0]=4 284 B20R2.18683 OC[C@@H]1CCCN1CC[C@H]2CNCC[C@H]2CC(O)=O Amb19742146 [0,0,0,2,0,0|2,0,0]=4 285 B20R2.77831 OC(=O)CCC1CCCCN1CCCC2CCCO2 Amb23999631 [0,0,0,2,0,0|1,0,0]=3 286 B20R2.10700 OC(=O)CCCN1CCCC1CCC2CCCCC2 Amb24867672 [0,0,0,2,0,0|2,0,0]=4