0 B19R0.182 CCCCCCC=CCCCCCCCC(=O)OCC E156262 [0,0,0,0,0,0|0,0,2]=2 1 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC E103505 [0,0,0,0,0,0|0,0,0]=0 2 B19R0.182 CCCCCCCCCCCCCCCC(=O)OCC E103506 [0,0,0,0,0,0|0,0,0]=0 3 B18R0.110 CCCCCCCCCCCCCCC(=O)OCC E156069 [1,0,0,0,0,0|0,0,0]=1 4 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC M102817 [1,0,0,0,0,0|0,0,2]=3 5 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC M115169 [1,0,0,0,0,0|0,0,2]=3 6 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC M137781 [1,0,0,0,0,0|0,0,2]=3 7 B18R0.171 CCCCCCC=CCCCCCCCC(=O)OC M465611 [1,0,0,0,0,0|0,0,2]=3 8 B18R0.171 CCCCCCCCCCCCCCCC(=O)NN P160205 [1,0,0,0,0,0|2,0,0]=3 9 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC M109445 [1,0,0,0,0,0|0,0,0]=1 10 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC M109446 [1,0,0,0,0,0|0,0,0]=1 11 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC M109447 [1,0,0,0,0,0|0,0,0]=1 12 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC M109448 [1,0,0,0,0,0|0,0,0]=1 13 B18R0.171 CCCCCCCCCCCCCCCC(=O)OC M420647 [1,0,0,0,0,0|0,0,0]=1 14 B18R0.171 CCCCCCCCCCCCCCCC(CN)O D130599 [1,0,0,0,0,0|1,0,2]=4 15 B18R0.171 CCCCCCCCCCCCCCOC(=O)C=C T161520 [1,0,0,0,0,0|1,0,2]=4 16 B18R0.221 CCCCCCCCCCCCCCCCCCBr B106910 [1,0,0,0,0,0|2,0,1]=4 17 B18R0.221 CCCCCCCCCCCCCCCCCCC N100269 [1,0,0,0,0,0|1,0,1]=3 18 B18R0.221 CCCCCCCCCCCCCCCCCCC N100270 [1,0,0,0,0,0|1,0,1]=3 19 B18R0.221 CCCCCCCCCCCCCCCCCCCl C102923 [1,0,0,0,0,0|2,0,1]=4 20 B18R0.221 CCCCCCCCCCCCCCCCCCI I157553 [1,0,0,0,0,0|2,0,1]=4 21 B18R0.221 CCCCCCCCCCCCCCCCCCN O108435 [1,0,0,0,0,0|2,0,1]=4 22 B18R0.221 CCCCCCCCCCCCCCCCCCN O108436 [1,0,0,0,0,0|2,0,1]=4 23 B18R0.221 CCCCCCCCCCCCCCCCCCN O159962 [1,0,0,0,0,0|2,0,1]=4 24 B18R0.221 CCCCCCCCCCCCCCCCCCN O159974 [1,0,0,0,0,0|2,0,1]=4 25 B18R0.221 CCCCCCCCCCCCCCCCCCN O492729 [1,0,0,0,0,0|2,0,1]=4 26 B18R0.221 CCCCCCCCCCCCCCCCCCO O105095 [1,0,0,0,0,0|2,0,1]=4 27 B18R0.221 CCCCCCCCCCCCCCCCCCO O105096 [1,0,0,0,0,0|2,0,1]=4 28 B18R0.221 CCCCCCCCCCCCCCCCCCO O105097 [1,0,0,0,0,0|2,0,1]=4 29 B18R0.221 CCCCCCCCCCCCCCCCCCO O105099 [1,0,0,0,0,0|2,0,1]=4 30 B18R0.221 CCCCCCCCCCCCCCCCCCS O107548 [1,0,0,0,0,0|2,0,1]=4 31 B18R0.221 CCCCCCCCCNCCCCCCCCC D137517 [1,0,0,0,0,0|2,0,1]=4 32 B18R0.221 CCCCCCCCCSCCCCCCCCC N159270 [1,0,0,0,0,0|2,0,1]=4 33 B20R0.39 CCCCCCCCCCCCCCCCC(=O)OCC E156263 [0,1,0,0,0,0|0,0,0]=1 34 B20R0.112 CCCCCCCCCCCCCCCC(=O)C(CO)N K275506 [0,1,0,0,0,0|2,0,0]=3 35 B20R0.2931 CCCCCCCCCCCCCCCC(=O)NC(C)C P286679 [0,1,0,0,0,0|1,0,0]=2 36 B20R0.2931 CCCCCCCCCCCCCCCC(=O)OC(C)C I106498 [0,1,0,0,0,0|0,0,0]=1 37 B20R0.32083 CCCCCCCCCCCCCCCC(=O)NCCO N135851 [0,1,0,0,0,0|1,0,0]=2 38 B17R0.117 CCCCCCCCCCCCCCCCCBr H133667 [2,0,0,0,0,0|1,0,1]=4 39 B17R0.117 CCCCCCCCCCCCCCCCCC O110583 [2,0,0,0,0,0|0,0,1]=3 40 B17R0.117 CCCCCCCCCCCCCCCCCC O110584 [2,0,0,0,0,0|0,0,1]=3 41 B17R0.117 CCCCCCCCCCCCCCCCCC O110585 [2,0,0,0,0,0|0,0,1]=3 42 B17R0.117 CCCCCCCCCCCCCCCCCC O110586 [2,0,0,0,0,0|0,0,1]=3 43 B17R0.117 CCCCCCCCCCCCCCCCCO H100266 [2,0,0,0,0,0|1,0,1]=4 44 B17R0.195 CCCCCCCCCCCCCCC(=O)OC M114398 [2,0,0,0,0,0|0,0,0]=2 45 B17R0.195 CCCCCCCCCCCCCCC(=O)OC M139681 [2,0,0,0,0,0|0,0,0]=2 46 B17R0.250 CCCCCCCCCCCCCC(=O)OC=C V162936 [2,0,0,0,0,0|0,0,2]=4 47 B17R0.250 CCCCCCCCCCCCCC(=O)OCC E156068 [2,0,0,0,0,0|0,0,0]=2 48 B17R0.43 C(CCCCCCCBr)CCCCCCC(=O)O B193968 [2,0,0,0,0,0|1,0,0]=3 49 B17R0.43 C(CCCCCCCO)CCCCCCC(=O)O H157150 [2,0,0,0,0,0|1,0,0]=3 50 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O C423680 [2,0,0,0,0,0|0,0,2]=4 51 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O P111106 [2,0,0,0,0,0|0,0,2]=4 52 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O P111107 [2,0,0,0,0,0|0,0,2]=4 53 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O C343082 [2,0,0,0,0,0|0,0,2]=4 54 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O H275582 [2,0,0,0,0,0|0,0,2]=4 55 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O H304206 [2,0,0,0,0,0|0,0,2]=4 56 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl P106415 [2,0,0,0,0,0|1,0,0]=3 57 B17R0.43 CCCCCCCCCCCCCCCC(=O)N H157085 [2,0,0,0,0,0|1,0,0]=3 58 B17R0.43 CCCCCCCCCCCCCCCC(=O)O P101053 [2,0,0,0,0,0|0,0,0]=2 59 B17R0.43 CCCCCCCCCCCCCCCC(=O)O P101056 [2,0,0,0,0,0|0,0,0]=2 60 B17R0.43 CCCCCCCCCCCCCCCC(=O)O P101058 [2,0,0,0,0,0|0,0,0]=2 61 B17R0.43 CCCCCCCCCCCCCCCC(=O)O P101059 [2,0,0,0,0,0|0,0,0]=2 62 B17R0.43 CCCCCCCCCCCCCCCC(=O)O P101061 [2,0,0,0,0,0|0,0,0]=2 63 B17R0.43 CCCCCCCCCCCCCCCC(=O)O P346173 [2,0,0,0,0,0|0,0,0]=2 64 B17R0.43 CCCCCCCCCCCCCCCC(=O)O P346808 [2,0,0,0,0,0|0,0,0]=2 65 B17R0.43 CCCCCCCCCCCCCCCC(=O)O P346928 [2,0,0,0,0,0|0,0,0]=2 66 B17R0.43 CCCCCCCCCCCCCCCC(=O)O P424817 [2,0,0,0,0,0|0,0,0]=2 67 B17R0.43 CCCCCCCCCCCCCCCC(=O)O P432956 [2,0,0,0,0,0|0,0,0]=2 68 B17R0.43 CCCCCCCCCCCCCCCC(=O)O P432957 [2,0,0,0,0,0|0,0,0]=2 69 B17R0.43 CCCCCCCCCCCCCCCC(=O)O P474096 [2,0,0,0,0,0|0,0,0]=2 70 B17R0.43 CCCCCCCCCCCCCCCC(=O)O P493050 [2,0,0,0,0,0|0,0,0]=2 71 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] P332320 [2,0,0,0,0,0|0,0,1]=3 72 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] S161420 [2,0,0,0,0,0|0,0,1]=3 73 B17R0.43 CCCCCCCCCCCCCCOC(=O)C T579392 [2,0,0,0,0,0|1,0,0]=3 74 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC M106479 [1,1,0,0,0,0|0,0,0]=2 75 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC M106480 [1,1,0,0,0,0|0,0,0]=2 76 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC M106481 [1,1,0,0,0,0|0,0,0]=2 77 B19R0.148 COC(=O)CCCCCCCCCCCCCCCBr M169159 [1,1,0,0,0,0|0,0,0]=2 78 B19R0.153 CCCCCCCCCCCCCCCC(C(C)N)O D130607 [1,1,0,0,0,0|0,0,2]=4 79 B19R0.153 CCCCCCCCCCCCCCOC(=O)C(=C)C T588429 [1,1,0,0,0,0|1,0,1]=4 80 B19R0.3096 CCCCCCCCCCCCCC(CC(=O)OC)O M338877 [1,1,0,0,0,0|0,0,0]=2 81 B19R0.21221 COC(=O)CCCCCCCCCCCCC(=O)OC D155841 [1,1,0,0,0,0|1,0,1]=4 82 B19R0.36 CCCCCCCCCCCCCCCCCCCC E100483 [1,1,0,0,0,0|1,0,1]=4 83 B19R0.36 CCCCCCCCCCCCCCCCCCCC E100484 [1,1,0,0,0,0|1,0,1]=4 84 B19R0.36 CCCCCCCCCCCCCCCCCCCC E100485 [1,1,0,0,0,0|1,0,1]=4 85 B19R0.36 CCCCCCCCCCCCCCCCCCCC E100487 [1,1,0,0,0,0|1,0,1]=4 86 B19R0.36 CCCCCCCCCCCCCCCCCCCO N159071 [1,1,0,0,0,0|1,0,1]=4 87 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)C P334984 [1,1,0,0,0,0|0,0,2]=4 88 B21R0.2907 CCCCCC=CCC=CCCCCCCCC(=O)OCC E135184 [0,2,0,0,0,0|0,0,2]=4 89 B21R0.2907 CCCCCC=CCC=CCCCCCCCC(=O)OCC E136660 [0,2,0,0,0,0|0,0,2]=4 90 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OCC E108586 [0,2,0,0,0,0|0,0,0]=2 91 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OCC E108587 [0,2,0,0,0,0|0,0,0]=2 92 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OCC E420626 [0,2,0,0,0,0|0,0,0]=2 93 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OC=C V162933 [0,2,0,0,0,0|0,0,2]=4 94 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC E112696 [0,2,0,0,0,0|0,0,0]=2 95 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC E112697 [0,2,0,0,0,0|0,0,0]=2 96 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC E118827 [0,2,0,0,0,0|0,0,0]=2 97 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC O108685 [0,2,0,0,0,0|0,0,0]=2 98 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC O108686 [0,2,0,0,0,0|0,0,0]=2 99 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC O434216 [0,2,0,0,0,0|0,0,0]=2 100 B21R0.36390 CCOC(=O)CCCCCCCCCCCCC(=O)OCC D474256 [0,2,0,0,0,0|0,0,1]=3 101 B21R0.2971 CCCCCCCCCCCCCCCC(=O)OCCCC B153067 [0,2,0,0,0,0|0,0,0]=2 102 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)O N130777 [0,2,0,0,0,0|1,0,1]=4 103 B21R0.36773 CCCCCCCCCCCCCCCC(=O)OCC(C)C I157457 [0,2,0,0,0,0|0,0,0]=2 104 B19R1.53162 CCCCCCCCCCCCC1CC(=O)OC1=O D154431 [1,0,0,1,0,0|1,0,1]=4 105 B19R1.275 CCCCCCCCCCCCCC1CCCCC1 T161704 [1,0,0,1,0,0|1,0,1]=4 106 B21R1.106916 CCCCCCCCCCCCCCC1CC(=O)OC1=O T161587 [0,1,0,1,0,0|0,0,1]=3 107 B21R1.20616 CCCCCCCCCCCCC(=O)NC1CCOC1=O N347385 [0,1,0,1,0,0|1,0,1]=4