0 B19R0.26208 CCCCCCCCCC(=O)NCCCCCCCC WXVL_AK1818SB0447 [0,0,0,0,0,0|1,0,0]=1 1 B19R0.26208 CCCCCCCCCC(=O)NCCCCCCCC WXVL_AK1818SB0447 [0,0,0,0,0,0|1,0,0]=1 2 B19R0.26208 CCCCCCCCCC(=O)NCCCOCCCC WXVL_AK2310SB0447 [0,0,0,0,0,0|2,0,0]=2 3 B19R0.26208 CCCCCCCCCC(=O)NCCCOCCCC WXVL_AK2310SB0447 [0,0,0,0,0,0|2,0,0]=2 4 B19R0.26208 CCCCCCCCNC(=O)NCCCCCCCC WXVL_AK1818YV0182 [0,0,0,0,0,0|2,0,0]=2 5 B19R0.26208 CCCCCCCCNC(=O)NCCCCCCCC WXVL_AK1818YV0182 [0,0,0,0,0,0|2,0,0]=2 6 B19R0.26208 CCCCCCCCNC(=O)NCCCOCCCC WXVL_AK2310YV0182 [0,0,0,0,0,0|3,0,0]=3 7 B19R0.26208 CCCCCCCCNC(=O)NCCCOCCCC WXVL_AK2310YV0182 [0,0,0,0,0,0|3,0,0]=3 8 B18R0.11621 CCCCCCCCC(=O)NCCCOCCCC WXVL_AK2310SB0409 [1,0,0,0,0,0|2,0,0]=3 9 B18R0.11621 CCCCCCCCC(=O)NCCCOCCCC WXVL_AK2310SB0409 [1,0,0,0,0,0|2,0,0]=3 10 B18R0.11621 CCCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0447 [1,0,0,0,0,0|2,0,0]=3 11 B18R0.11621 CCCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0447 [1,0,0,0,0,0|2,0,0]=3 12 B18R0.11621 CCCCCCCCCC(=O)NCCOCCCC WXVL_AK9674SB0447 [1,0,0,0,0,0|2,0,0]=3 13 B18R0.11621 CCCCCCCCCC(=O)NCCOCCCC WXVL_AK9674SB0447 [1,0,0,0,0,0|2,0,0]=3 14 B18R0.11621 CCCCCCCCCC(=O)NCCOCCOC WXVL_AK2206SB0447 [1,0,0,0,0,0|3,0,0]=4 15 B18R0.11621 CCCCCCCCCC(=O)NCCOCCOC WXVL_AK2206SB0447 [1,0,0,0,0,0|3,0,0]=4 16 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCBr WXVL_AK1818SB0559 [1,0,0,0,0,0|2,0,0]=3 17 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCBr WXVL_AK1818SB0559 [1,0,0,0,0,0|2,0,0]=3 18 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCC WXVL_AK1818SB0409 [1,0,0,0,0,0|1,0,0]=2 19 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCC WXVL_AK1818SB0409 [1,0,0,0,0,0|1,0,0]=2 20 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCO WXVL_AK1818SB1306 [1,0,0,0,0,0|2,0,0]=3 21 B18R0.11621 CCCCCCCCNC(=O)CCCCCCCO WXVL_AK1818SB1306 [1,0,0,0,0,0|2,0,0]=3 22 B18R0.11621 CCCCCCCCNC(=O)NCCCCCCO WXVL_AK0751YV0182 [1,0,0,0,0,0|3,0,0]=4 23 B18R0.11621 CCCCCCCCNC(=O)NCCCCCCO WXVL_AK0751YV0182 [1,0,0,0,0,0|3,0,0]=4 24 B18R0.11621 CCCCCCCCNC(=O)NCCOCCCC WXVL_AK9674YV0182 [1,0,0,0,0,0|3,0,0]=4 25 B18R0.11621 CCCCCCCCNC(=O)NCCOCCCC WXVL_AK9674YV0182 [1,0,0,0,0,0|3,0,0]=4 26 B18R0.11621 CCCCOCCCNC(=O)CCCCCCCBr WXVL_AK2310SB0559 [1,0,0,0,0,0|3,0,0]=4 27 B18R0.11621 CCCCOCCCNC(=O)CCCCCCCBr WXVL_AK2310SB0559 [1,0,0,0,0,0|3,0,0]=4 28 B18R0.11621 CCCCOCCCNC(=O)CCCCCCCO WXVL_AK2310SB1306 [1,0,0,0,0,0|3,0,0]=4 29 B18R0.11621 CCCCOCCCNC(=O)CCCCCCCO WXVL_AK2310SB1306 [1,0,0,0,0,0|3,0,0]=4 30 B20R0.17440 CCCCCCCCCC(=O)NCCCCCNC(=O)C WXVL_AK4207SB0447 [0,1,0,0,0,0|2,0,1]=4 31 B20R0.17440 CCCCCCCCCC(=O)NCCCCCNC(=O)C WXVL_AK4207SB0447 [0,1,0,0,0,0|2,0,1]=4 32 B20R0.31962 C=CCCCCCCCCC(=O)NCCCCCCCC WXVL_AK1818SB0481 [0,1,0,0,0,0|1,0,1]=3 33 B20R0.31962 C=CCCCCCCCCC(=O)NCCCCCCCC WXVL_AK1818SB0481 [0,1,0,0,0,0|1,0,1]=3 34 B20R0.31962 C=CCCCCCCCCC(=O)NCCCOCCCC WXVL_AK2310SB0481 [0,1,0,0,0,0|2,0,1]=4 35 B20R0.31962 C=CCCCCCCCCC(=O)NCCCOCCCC WXVL_AK2310SB0481 [0,1,0,0,0,0|2,0,1]=4 36 B20R0.31962 CCCCCCCCCC(=O)NCCCCCCCCO WXVL_AK4142SB0447 [0,1,0,0,0,0|1,0,0]=2 37 B20R0.31962 CCCCCCCCCC(=O)NCCCCCCCCO WXVL_AK4142SB0447 [0,1,0,0,0,0|1,0,0]=2 38 B20R0.31962 CCCCCCCCCC(=O)NCCOCCOCCO WXVL_AK1950SB0447 [0,1,0,0,0,0|3,0,0]=4 39 B20R0.31962 CCCCCCCCCC(=O)NCCOCCOCCO WXVL_AK1950SB0447 [0,1,0,0,0,0|3,0,0]=4 40 B20R0.31962 CCCCCCCCCCC(=O)NCCCCCCCC WXVL_AK1818SB0490 [0,1,0,0,0,0|1,0,0]=2 41 B20R0.31962 CCCCCCCCCCC(=O)NCCCCCCCC WXVL_AK1818SB0490 [0,1,0,0,0,0|1,0,0]=2 42 B20R0.31962 CCCCCCCCCCC(=O)NCCCOCCCC WXVL_AK2310SB0490 [0,1,0,0,0,0|2,0,0]=3 43 B20R0.31962 CCCCCCCCCCC(=O)NCCCOCCCC WXVL_AK2310SB0490 [0,1,0,0,0,0|2,0,0]=3 44 B20R0.31962 CCCCCCCCCNC(=O)CCCCCCCCC WXVL_AK1826SB0447 [0,1,0,0,0,0|0,0,0]=1 45 B20R0.31962 CCCCCCCCCNC(=O)CCCCCCCCC WXVL_AK1826SB0447 [0,1,0,0,0,0|0,0,0]=1 46 B20R0.31962 CCCCCCCCCNC(=O)NCCCCCCCC WXVL_AK1826YV0182 [0,1,0,0,0,0|1,0,0]=2 47 B20R0.31962 CCCCCCCCCNC(=O)NCCCCCCCC WXVL_AK1826YV0182 [0,1,0,0,0,0|1,0,0]=2 48 B20R0.31962 CCCCCCCCNC(=O)NCCCCCCCCO WXVL_AK4142YV0182 [0,1,0,0,0,0|2,0,0]=3 49 B20R0.31962 CCCCCCCCNC(=O)NCCCCCCCCO WXVL_AK4142YV0182 [0,1,0,0,0,0|2,0,0]=3 50 B20R0.32058 CCCCCCCC(O)CC(=O)NCCCOCCCC WXVL_AK2310SB4065 [0,1,0,0,0,0|2,0,0]=3 51 B20R0.32058 CCCCCCCC(O)CC(=O)NCCCOCCCC WXVL_AK2310SB4065 [0,1,0,0,0,0|2,0,0]=3 52 B20R0.32058 CCCCCCCCNC(=O)CC(O)CCCCCCC WXVL_AK1818SB4065 [0,1,0,0,0,0|1,0,0]=2 53 B20R0.32058 CCCCCCCCNC(=O)CC(O)CCCCCCC WXVL_AK1818SB4065 [0,1,0,0,0,0|1,0,0]=2 54 B20R0.32969 CCCCCCCCCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0447 [0,1,0,0,0,0|2,0,1]=4 55 B20R0.32969 CCCCCCCCCC(=O)NCCCCCC(=O)OC WXVL_AK00438SB0447 [0,1,0,0,0,0|2,0,1]=4 56 B20R0.32969 CCCCCCCCNC(=O)CCCCCCC(=O)OC WXVL_AK1818SB3124 [0,1,0,0,0,0|2,0,1]=4 57 B20R0.32969 CCCCCCCCNC(=O)CCCCCCC(=O)OC WXVL_AK1818SB3124 [0,1,0,0,0,0|2,0,1]=4 58 B20R1.36418 CCCCCCCCCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0447 [0,0,0,1,0,0|2,0,0]=3 59 B20R1.36418 CCCCCCCCCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0447 [0,0,0,1,0,0|2,0,0]=3 60 B20R1.36418 CCCCCCCCCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0447 [0,0,0,1,0,0|2,0,0]=3 61 B20R1.36418 CCCCCCCCCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0447 [0,0,0,1,0,0|2,0,0]=3 62 B20R1.36418 CCCCCCCCNC(=O)CCCCC1CCSS1 WXVL_AK1818SB1230 [0,0,0,1,0,0|3,0,0]=4 63 B20R1.36418 CCCCCCCCNC(=O)CCCCC1CCSS1 WXVL_AK1818SB1230 [0,0,0,1,0,0|3,0,0]=4 64 B20R1.36418 CCCCCCCCNC(=O)NCCCN1CCCC1 WXVL_AK0085YV0182 [0,0,0,1,0,0|3,0,0]=4 65 B20R1.36418 CCCCCCCCNC(=O)NCCCN1CCCC1 WXVL_AK0085YV0182 [0,0,0,1,0,0|3,0,0]=4 66 B20R1.36418 CCCCCCCCNC(=O)NCCOC1CCCC1 WXVL_AK3996YV0182 [0,0,0,1,0,0|3,0,0]=4 67 B20R1.36418 CCCCCCCCNC(=O)NCCOC1CCCC1 WXVL_AK3996YV0182 [0,0,0,1,0,0|3,0,0]=4 68 B20R1.36438 CCCCCCCCCC(=O)N1CCCCC1CCO WXVL_AN2918SB0447 [0,0,0,1,0,0|2,0,0]=3 69 B20R1.36438 CCCCCCCCCC(=O)N1CCCCC1COC WXVL_AN0507SB0447 [0,0,0,1,0,0|2,0,0]=3 70 B20R1.36438 CCCCCCCCCC(=O)N1CCCCC1COC WXVL_AN0507SB0447 [0,0,0,1,0,0|2,0,0]=3 71 B20R1.36438 CCCCCCCCCC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0447 [0,0,0,1,0,0|2,0,0]=3 72 B20R1.36438 CCCCCCCCCC(=O)N1CCOC[C@@H]1COC WXVL_AN00791SB0447 [0,0,0,1,0,0|3,0,0]=4 73 B20R1.36438 CCCCCCCCNC(=O)N1CCCCC1CCO WXVL_AN2918YV0182 [0,0,0,1,0,0|3,0,0]=4 74 B20R1.36438 CCCCCCCCNC(=O)N1CCCCC1COC WXVL_AN0507YV0182 [0,0,0,1,0,0|3,0,0]=4 75 B20R1.36438 CCCCCCCCNC(=O)N1CCCCC1COC WXVL_AN0507YV0182 [0,0,0,1,0,0|3,0,0]=4 76 B20R1.36438 CCCCCCCCNC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657YV0182 [0,0,0,1,0,0|3,0,0]=4 77 B20R1.36445 CCCCCCCCCC(=O)N1CCCC1CCCC WXVL_AN00739SB0447 [0,0,0,1,0,0|1,0,0]=2 78 B20R1.36445 CCCCCCCCNC(=O)N1CCCC1CCCC WXVL_AN00739YV0182 [0,0,0,1,0,0|2,0,0]=3 79 B20R1.57917 CCCCCCCCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0447 [0,0,0,1,0,0|1,0,0]=2 80 B20R1.57917 CCCCCCCCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0447 [0,0,0,1,0,0|1,0,0]=2 81 B20R1.57917 CCCCCCCCCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0447 [0,0,0,1,0,0|2,0,0]=3 82 B20R1.57917 CCCCCCCCCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0447 [0,0,0,1,0,0|2,0,0]=3 83 B20R1.57917 CCCCCCCCCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0447 [0,0,0,1,0,0|2,0,0]=3 84 B20R1.57917 CCCCCCCCCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0447 [0,0,0,1,0,0|2,0,0]=3 85 B20R1.57917 CCCCCCCCCC(=O)NCCN1CCOCC1 WXVL_AK0016SB0447 [0,0,0,1,0,0|3,0,0]=4 86 B20R1.57917 CCCCCCCCCC(=O)NCCN1CCOCC1 WXVL_AK0016SB0447 [0,0,0,1,0,0|3,0,0]=4 87 B20R1.57917 CCCCCCCCNC(=O)NCCC1CCCCC1 WXVL_AK1287YV0182 [0,0,0,1,0,0|2,0,0]=3 88 B20R1.57917 CCCCCCCCNC(=O)NCCC1CCCCC1 WXVL_AK1287YV0182 [0,0,0,1,0,0|2,0,0]=3 89 B20R1.57917 CCCCCCCCNC(=O)NCCC1CCOCC1 WXVL_AK0294YV0182 [0,0,0,1,0,0|3,0,0]=4 90 B20R1.57917 CCCCCCCCNC(=O)NCCC1CCOCC1 WXVL_AK0294YV0182 [0,0,0,1,0,0|3,0,0]=4 91 B20R1.57917 CCCCCCCCNC(=O)NCCN1CCCCC1 WXVL_AK0023YV0182 [0,0,0,1,0,0|3,0,0]=4 92 B20R1.57917 CCCCCCCCNC(=O)NCCN1CCCCC1 WXVL_AK0023YV0182 [0,0,0,1,0,0|3,0,0]=4 93 B20R1.67918 CCCCCCCCCC(=O)NCCC1CCCN1C WXVL_AK2343SB0447 [0,0,0,1,0,0|2,0,0]=3 94 B20R1.67918 CCCCCCCCCC(=O)NCCC1CCCN1C WXVL_AK2343SB0447 [0,0,0,1,0,0|2,0,0]=3 95 B20R1.67918 CCCCCCCCNC(=O)NCCC1CCCN1C WXVL_AK2343YV0182 [0,0,0,1,0,0|3,0,0]=4 96 B20R1.67918 CCCCCCCCNC(=O)NCCC1CCCN1C WXVL_AK2343YV0182 [0,0,0,1,0,0|3,0,0]=4 97 B17R0.104 CCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0409 [2,0,0,0,0,0|2,0,0]=4 98 B17R0.104 CCCCCCCCC(=O)NCCCCCCO WXVL_AK0751SB0409 [2,0,0,0,0,0|2,0,0]=4 99 B17R0.104 CCCCCCCCC(=O)NCCOCCCC WXVL_AK9674SB0409 [2,0,0,0,0,0|2,0,0]=4 100 B17R0.104 CCCCCCCCC(=O)NCCOCCCC WXVL_AK9674SB0409 [2,0,0,0,0,0|2,0,0]=4 101 B17R0.8809 CCCCCCCC(=O)NCCCOCCCC WXVL_AK2310SB0393 [2,0,0,0,0,0|2,0,0]=4 102 B17R0.8809 CCCCCCCC(=O)NCCCOCCCC WXVL_AK2310SB0393 [2,0,0,0,0,0|2,0,0]=4 103 B17R0.8809 CCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0447 [2,0,0,0,0,0|1,0,0]=3 104 B17R0.8809 CCCCCCCCCC(=O)NCCCCCC WXVL_AK0286SB0447 [2,0,0,0,0,0|1,0,0]=3 105 B17R0.8809 CCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0447 [2,0,0,0,0,0|2,0,0]=4 106 B17R0.8809 CCCCCCCCCC(=O)NCCCCCO WXVL_AK0077SB0447 [2,0,0,0,0,0|2,0,0]=4 107 B17R0.8809 CCCCCCCCCC(=O)NCCCOCC WXVL_AK0072SB0447 [2,0,0,0,0,0|2,0,0]=4 108 B17R0.8809 CCCCCCCCCC(=O)NCCCOCC WXVL_AK0072SB0447 [2,0,0,0,0,0|2,0,0]=4 109 B17R0.8809 CCCCCCCCNC(=O)CCCCCCBr WXVL_AK1818SB1386 [2,0,0,0,0,0|2,0,0]=4 110 B17R0.8809 CCCCCCCCNC(=O)CCCCCCBr WXVL_AK1818SB1386 [2,0,0,0,0,0|2,0,0]=4 111 B17R0.8809 CCCCCCCCNC(=O)CCCCCCC WXVL_AK1818SB0393 [2,0,0,0,0,0|1,0,0]=3 112 B17R0.8809 CCCCCCCCNC(=O)CCCCCCC WXVL_AK1818SB0393 [2,0,0,0,0,0|1,0,0]=3 113 B17R0.8809 CCCCCCCCNC(=O)NCCCCCC WXVL_AK0286YV0182 [2,0,0,0,0,0|2,0,0]=4 114 B17R0.8809 CCCCCCCCNC(=O)NCCCCCC WXVL_AK0286YV0182 [2,0,0,0,0,0|2,0,0]=4 115 B19R0.23229 CCCCCCCCCNC(=O)CCCCCCCC WXVL_AK1826SB0409 [1,1,0,0,0,0|1,0,1]=4 116 B19R0.23229 CCCCCCCCCNC(=O)CCCCCCCC WXVL_AK1826SB0409 [1,1,0,0,0,0|1,0,1]=4 117 B19R0.14392 CCCCCCCCNS(=O)(=O)CCCCCCCC WXVL_AK1818HU0331 [1,1,0,0,0,0|2,0,0]=4 118 B19R0.14392 CCCCCCCCNS(=O)(=O)CCCCCCCC WXVL_AK1818HU0331 [1,1,0,0,0,0|2,0,0]=4 119 B19R0.26214 CCCCCCCCCC(=O)NCCCCCN(C)C WXVL_AK0956SB0447 [1,1,0,0,0,0|2,0,0]=4 120 B19R0.26214 CCCCCCCCCC(=O)NCCCCCN(C)C WXVL_AK0956SB0447 [1,1,0,0,0,0|2,0,0]=4 121 B19R0.26281 CCCCCCCC(O)CC(=O)NCCCCCCO WXVL_AK0751SB4065 [1,1,0,0,0,0|2,0,0]=4 122 B19R0.26281 CCCCCCCC(O)CC(=O)NCCCCCCO WXVL_AK0751SB4065 [1,1,0,0,0,0|2,0,0]=4 123 B19R0.26281 CCCCCCCC(O)CC(=O)NCCOCCCC WXVL_AK9674SB4065 [1,1,0,0,0,0|2,0,0]=4 124 B19R0.26281 CCCCCCCC(O)CC(=O)NCCOCCCC WXVL_AK9674SB4065 [1,1,0,0,0,0|2,0,0]=4 125 B21R0.32493 CCCCCCCCCCS(=O)(=O)NCCCCCCCC WXVL_AK1818HU0549 [0,2,0,0,0,0|2,0,0]=4 126 B21R0.32493 CCCCCCCCCCS(=O)(=O)NCCCCCCCC WXVL_AK1818HU0549 [0,2,0,0,0,0|2,0,0]=4 127 B21R0.2929 CCCCCCCCCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0447 [0,2,0,0,0,0|1,0,1]=4 128 B21R0.2929 CCCCCCCCCC(=O)NCCCCCCC(=O)OC WXVL_AK00211SB0447 [0,2,0,0,0,0|1,0,1]=4 129 B21R0.9162 CCCCCCCCCC(=O)NCCCOCCOCCO WXVL_AK9828SB0447 [0,2,0,0,0,0|2,0,0]=4 130 B21R0.9162 CCCCCCCCCC(=O)NCCCOCCOCCO WXVL_AK9828SB0447 [0,2,0,0,0,0|2,0,0]=4 131 B21R0.9162 CCCCCCCCCC(=O)NCCOCCOCCOC WXVL_AK1800SB0447 [0,2,0,0,0,0|2,0,0]=4 132 B21R0.9162 CCCCCCCCCC(=O)NCCOCCOCCOC WXVL_AK1800SB0447 [0,2,0,0,0,0|2,0,0]=4 133 B21R0.9162 CCCCCCCCCCCC(=O)NCCCCCCCC WXVL_AK1818SB2796 [0,2,0,0,0,0|1,0,0]=3 134 B21R0.9162 CCCCCCCCCCCC(=O)NCCCCCCCC WXVL_AK1818SB2796 [0,2,0,0,0,0|1,0,0]=3 135 B21R0.9162 CCCCCCCCCCCC(=O)NCCCOCCCC WXVL_AK2310SB2796 [0,2,0,0,0,0|2,0,0]=4 136 B21R0.9162 CCCCCCCCCCCC(=O)NCCCOCCCC WXVL_AK2310SB2796 [0,2,0,0,0,0|2,0,0]=4 137 B21R0.9162 CCCCCCCCCCNC(=O)CCCCCCCCC WXVL_AK1845SB0447 [0,2,0,0,0,0|0,0,0]=2 138 B21R0.9162 CCCCCCCCCCNC(=O)CCCCCCCCC WXVL_AK1845SB0447 [0,2,0,0,0,0|0,0,0]=2 139 B21R0.9162 CCCCCCCCCCNC(=O)NCCCCCCCC WXVL_AK1845YV0182 [0,2,0,0,0,0|1,0,0]=3 140 B21R0.9162 CCCCCCCCCCNC(=O)NCCCCCCCC WXVL_AK1845YV0182 [0,2,0,0,0,0|1,0,0]=3 141 B21R0.9276 CCCCCCCC(O)CC(=O)NCCCCCCCCO WXVL_AK4142SB4065 [0,2,0,0,0,0|1,0,0]=3 142 B21R0.9276 CCCCCCCC(O)CC(=O)NCCCCCCCCO WXVL_AK4142SB4065 [0,2,0,0,0,0|1,0,0]=3 143 B21R0.9276 CCCCCCCCCNC(=O)CC(O)CCCCCCC WXVL_AK1826SB4065 [0,2,0,0,0,0|0,0,0]=2 144 B21R0.9276 CCCCCCCCCNC(=O)CC(O)CCCCCCC WXVL_AK1826SB4065 [0,2,0,0,0,0|0,0,0]=2 145 B21R0.18592 C=CCCCCCCCCC(=O)NCCCCCCCCC WXVL_AK1826SB0481 [0,2,0,0,0,0|0,0,1]=3 146 B21R0.18592 C=CCCCCCCCCC(=O)NCCCCCCCCC WXVL_AK1826SB0481 [0,2,0,0,0,0|0,0,1]=3 147 B21R0.18592 C=CCCCCCCCCC(=O)NCCCCCCCCO WXVL_AK4142SB0481 [0,2,0,0,0,0|1,0,1]=4 148 B21R0.18592 C=CCCCCCCCCC(=O)NCCCCCCCCO WXVL_AK4142SB0481 [0,2,0,0,0,0|1,0,1]=4 149 B21R0.18592 CCCCCCCCCCC(=O)NCCCCCCCCC WXVL_AK1826SB0490 [0,2,0,0,0,0|0,0,0]=2 150 B21R0.18592 CCCCCCCCCCC(=O)NCCCCCCCCC WXVL_AK1826SB0490 [0,2,0,0,0,0|0,0,0]=2 151 B21R0.18592 CCCCCCCCCCC(=O)NCCCCCCCCO WXVL_AK4142SB0490 [0,2,0,0,0,0|1,0,0]=3 152 B21R0.18592 CCCCCCCCCCC(=O)NCCCCCCCCO WXVL_AK4142SB0490 [0,2,0,0,0,0|1,0,0]=3 153 B21R0.18597 CCCCCCCCCNC(=O)CCCCCCC(=O)OC WXVL_AK1826SB3124 [0,2,0,0,0,0|1,0,1]=4 154 B21R0.18597 CCCCCCCCCNC(=O)CCCCCCC(=O)OC WXVL_AK1826SB3124 [0,2,0,0,0,0|1,0,1]=4 155 B19R1.321 CCCCCCCCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0447 [1,0,0,1,0,0|2,0,0]=4 156 B19R1.321 CCCCCCCCCC(=O)NCC1CCCCO1 WXVL_AK1232SB0447 [1,0,0,1,0,0|2,0,0]=4 157 B19R1.321 CCCCCCCCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0447 [1,0,0,1,0,0|2,0,0]=4 158 B19R1.321 CCCCCCCCCC(=O)NCC1CCCOC1 WXVL_AK00150SB0447 [1,0,0,1,0,0|2,0,0]=4 159 B19R1.321 CCCCCCCCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0447 [1,0,0,1,0,0|2,0,0]=4 160 B19R1.321 CCCCCCCCCC(=O)NCC1CCOCC1 WXVL_AK0150SB0447 [1,0,0,1,0,0|2,0,0]=4 161 B19R1.321 CCCCCCCCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0447 [1,0,0,1,0,0|2,0,0]=4 162 B19R1.321 CCCCCCCCCC(=O)NCC1CCSCC1 WXVL_AK00654SB0447 [1,0,0,1,0,0|2,0,0]=4 163 B19R1.321 CCCCCCCCNC(=O)CCC1CCCCC1 WXVL_AK1818SB0049 [1,0,0,1,0,0|1,0,0]=3 164 B19R1.321 CCCCCCCCNC(=O)CCC1CCCCC1 WXVL_AK1818SB0049 [1,0,0,1,0,0|1,0,0]=3 165 B19R1.321 CCCCCCCCNC(=O)CCN1CCCCC1 WXVL_AK1818SB0127 [1,0,0,1,0,0|2,0,0]=4 166 B19R1.321 CCCCCCCCNC(=O)CCN1CCCCC1 WXVL_AK1818SB0127 [1,0,0,1,0,0|2,0,0]=4 167 B19R1.321 CCCCCCCCNC(=O)COC1CCCCC1 WXVL_AK1818SB3400 [1,0,0,1,0,0|2,0,0]=4 168 B19R1.321 CCCCCCCCNC(=O)COC1CCCCC1 WXVL_AK1818SB3400 [1,0,0,1,0,0|2,0,0]=4 169 B19R1.321 CCCCOCCCNC(=O)CCC1CCCCC1 WXVL_AK2310SB0049 [1,0,0,1,0,0|2,0,0]=4 170 B19R1.321 CCCCOCCCNC(=O)CCC1CCCCC1 WXVL_AK2310SB0049 [1,0,0,1,0,0|2,0,0]=4 171 B19R1.8132 CCCCCCCCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0409 [1,0,0,1,0,0|2,0,0]=4 172 B19R1.8132 CCCCCCCCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0409 [1,0,0,1,0,0|2,0,0]=4 173 B19R1.8132 CCCCCCCCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0409 [1,0,0,1,0,0|2,0,0]=4 174 B19R1.8132 CCCCCCCCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0409 [1,0,0,1,0,0|2,0,0]=4 175 B19R1.8152 CCCCCCCCC(=O)N1CCCCC1CCO WXVL_AN2918SB0409 [1,0,0,1,0,0|2,0,0]=4 176 B19R1.8152 CCCCCCCCC(=O)N1CCCCC1COC WXVL_AN0507SB0409 [1,0,0,1,0,0|2,0,0]=4 177 B19R1.8152 CCCCCCCCC(=O)N1CCCCC1COC WXVL_AN0507SB0409 [1,0,0,1,0,0|2,0,0]=4 178 B19R1.8152 CCCCCCCCC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0409 [1,0,0,1,0,0|2,0,0]=4 179 B19R1.8159 CCCCC1CCCN1C(=O)CCCCCCCBr WXVL_AN00739SB0559 [1,0,0,1,0,0|2,0,0]=4 180 B19R1.8159 CCCCC1CCCN1C(=O)CCCCCCCO WXVL_AN00739SB1306 [1,0,0,1,0,0|2,0,0]=4 181 B19R1.8159 CCCCCCCCC(=O)N1CCCC1CCCC WXVL_AN00739SB0409 [1,0,0,1,0,0|1,0,0]=3 182 B19R1.27305 CCCCCCCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0409 [1,0,0,1,0,0|1,0,0]=3 183 B19R1.27305 CCCCCCCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0409 [1,0,0,1,0,0|1,0,0]=3 184 B19R1.27305 CCCCCCCCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0409 [1,0,0,1,0,0|2,0,0]=4 185 B19R1.27305 CCCCCCCCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0409 [1,0,0,1,0,0|2,0,0]=4 186 B19R1.27305 CCCCCCCCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0409 [1,0,0,1,0,0|2,0,0]=4 187 B19R1.27305 CCCCCCCCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0409 [1,0,0,1,0,0|2,0,0]=4 188 B19R1.27305 O=C(CCCCCCCBr)NCCC1CCCCC1 WXVL_AK1287SB0559 [1,0,0,1,0,0|2,0,0]=4 189 B19R1.27305 O=C(CCCCCCCBr)NCCC1CCCCC1 WXVL_AK1287SB0559 [1,0,0,1,0,0|2,0,0]=4 190 B19R1.27305 O=C(CCCCCCCO)NCCC1CCCCC1 WXVL_AK1287SB1306 [1,0,0,1,0,0|2,0,0]=4 191 B19R1.27305 O=C(CCCCCCCO)NCCC1CCCCC1 WXVL_AK1287SB1306 [1,0,0,1,0,0|2,0,0]=4 192 B19R1.30498 CCCCCCCCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0447 [1,0,0,1,0,0|2,0,0]=4 193 B19R1.30498 CCCCCCCCCC(=O)NC[C@@H]1CCCN1C WXVL_AK00784SB0447 [1,0,0,1,0,0|2,0,0]=4 194 B19R1.30519 CCCCCCCCCC(=O)N1CCCCC1CO WXVL_AN0018SB0447 [1,0,0,1,0,0|2,0,0]=4 195 B19R1.30519 CCCCCCCCCC(=O)N1CCCCC1CO WXVL_AN0018SB0447 [1,0,0,1,0,0|2,0,0]=4 196 B19R1.46476 CCCCCCCCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0447 [1,0,0,1,0,0|1,0,0]=3 197 B19R1.46476 CCCCCCCCCC(=O)NCCC1CCCC1 WXVL_AK00531SB0447 [1,0,0,1,0,0|1,0,0]=3 198 B19R1.46476 CCCCCCCCNC(=O)NCCC1CCCC1 WXVL_AK00531YV0182 [1,0,0,1,0,0|2,0,0]=4 199 B19R1.46476 CCCCCCCCNC(=O)NCCC1CCCC1 WXVL_AK00531YV0182 [1,0,0,1,0,0|2,0,0]=4 200 B19R1.48340 CCCCCCCCC(=O)NCCC1CCCN1C WXVL_AK2343SB0409 [1,0,0,1,0,0|2,0,0]=4 201 B19R1.48340 CCCCCCCCC(=O)NCCC1CCCN1C WXVL_AK2343SB0409 [1,0,0,1,0,0|2,0,0]=4 202 B21R1.40794 CCCCCCCCCC(=O)N1CCOC[C@H]1CC(C)C WXVL_AN00804SB0447 [0,1,0,1,0,0|2,0,0]=4 203 B21R1.19788 CCCCCCCCCCC(=O)NCCC1CCCN1C WXVL_AK2343SB0490 [0,1,0,1,0,0|2,0,0]=4 204 B21R1.19788 CCCCCCCCCCC(=O)NCCC1CCCN1C WXVL_AK2343SB0490 [0,1,0,1,0,0|2,0,0]=4 205 B21R1.40759 CCCCCCCCCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0447 [0,1,0,1,0,0|0,0,0]=2 206 B21R1.40759 CCCCCCCCCC(=O)NCCCC1CCCCC1 WXVL_AK4112SB0447 [0,1,0,1,0,0|0,0,0]=2 207 B21R1.40759 CCCCCCCCCC(=O)NCCCN1CCCCC1 WXVL_AK2569SB0447 [0,1,0,1,0,0|1,0,0]=3 208 B21R1.40759 CCCCCCCCCC(=O)NCCCN1CCCCC1 WXVL_AK2569SB0447 [0,1,0,1,0,0|1,0,0]=3 209 B21R1.40759 CCCCCCCCCC(=O)NCCCN1CCOCC1 WXVL_AK0017SB0447 [0,1,0,1,0,0|2,0,0]=4 210 B21R1.40759 CCCCCCCCCC(=O)NCCCN1CCOCC1 WXVL_AK0017SB0447 [0,1,0,1,0,0|2,0,0]=4 211 B21R1.40759 CCCCCCCCCC(=O)NCCOC1CCCCC1 WXVL_AK3994SB0447 [0,1,0,1,0,0|1,0,0]=3 212 B21R1.40759 CCCCCCCCCC(=O)NCCOC1CCCCC1 WXVL_AK3994SB0447 [0,1,0,1,0,0|1,0,0]=3 213 B21R1.40759 CCCCCCCCNC(=O)NCCCC1CCCCC1 WXVL_AK4112YV0182 [0,1,0,1,0,0|1,0,0]=3 214 B21R1.40759 CCCCCCCCNC(=O)NCCCC1CCCCC1 WXVL_AK4112YV0182 [0,1,0,1,0,0|1,0,0]=3 215 B21R1.40759 CCCCCCCCNC(=O)NCCCN1CCCCC1 WXVL_AK2569YV0182 [0,1,0,1,0,0|2,0,0]=4 216 B21R1.40759 CCCCCCCCNC(=O)NCCCN1CCCCC1 WXVL_AK2569YV0182 [0,1,0,1,0,0|2,0,0]=4 217 B21R1.40759 CCCCCCCCNC(=O)NCCOC1CCCCC1 WXVL_AK3994YV0182 [0,1,0,1,0,0|2,0,0]=4 218 B21R1.40759 CCCCCCCCNC(=O)NCCOC1CCCCC1 WXVL_AK3994YV0182 [0,1,0,1,0,0|2,0,0]=4 219 B21R1.40795 CCCCCCCCCC(=O)N1CCCCC1CCOC WXVL_AN2371SB0447 [0,1,0,1,0,0|1,0,0]=3 220 B21R1.40795 CCCCCCCCCC(=O)N1CCCCC1CCOC WXVL_AN2371SB0447 [0,1,0,1,0,0|1,0,0]=3 221 B21R1.40795 CCCCCCCCNC(=O)N1CCCCC1CCOC WXVL_AN2371YV0182 [0,1,0,1,0,0|2,0,0]=4 222 B21R1.40795 CCCCCCCCNC(=O)N1CCCCC1CCOC WXVL_AN2371YV0182 [0,1,0,1,0,0|2,0,0]=4 223 B21R1.70496 CCCCCCCCCCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0490 [0,1,0,1,0,0|2,0,0]=4 224 B21R1.70496 CCCCCCCCCCC(=O)NCCCN1CCCC1 WXVL_AK0085SB0490 [0,1,0,1,0,0|2,0,0]=4 225 B21R1.70496 CCCCCCCCCCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0490 [0,1,0,1,0,0|2,0,0]=4 226 B21R1.70496 CCCCCCCCCCC(=O)NCCOC1CCCC1 WXVL_AK3996SB0490 [0,1,0,1,0,0|2,0,0]=4 227 B21R1.70496 CCCCCCCCCNC(=O)CCCCC1CCSS1 WXVL_AK1826SB1230 [0,1,0,1,0,0|2,0,0]=4 228 B21R1.70496 CCCCCCCCCNC(=O)CCCCC1CCSS1 WXVL_AK1826SB1230 [0,1,0,1,0,0|2,0,0]=4 229 B21R1.70516 CCCCCCCCCCC(=O)N1CCCCC1CCO WXVL_AN2918SB0490 [0,1,0,1,0,0|2,0,0]=4 230 B21R1.70516 CCCCCCCCCCC(=O)N1CCCCC1COC WXVL_AN0507SB0490 [0,1,0,1,0,0|2,0,0]=4 231 B21R1.70516 CCCCCCCCCCC(=O)N1CCCCC1COC WXVL_AN0507SB0490 [0,1,0,1,0,0|2,0,0]=4 232 B21R1.70516 CCCCCCCCCCC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB0490 [0,1,0,1,0,0|2,0,0]=4 233 B21R1.70523 C=CCCCCCCCCC(=O)N1CCCC1CCCC WXVL_AN00739SB0481 [0,1,0,1,0,0|1,0,1]=4 234 B21R1.70523 CCCCCCCCCCC(=O)N1CCCC1CCCC WXVL_AN00739SB0490 [0,1,0,1,0,0|1,0,0]=3 235 B21R1.75561 C=CCCCCCCCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0481 [0,1,0,1,0,0|1,0,1]=4 236 B21R1.75561 C=CCCCCCCCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0481 [0,1,0,1,0,0|1,0,1]=4 237 B21R1.75561 CCCCCCCCCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0490 [0,1,0,1,0,0|1,0,0]=3 238 B21R1.75561 CCCCCCCCCCC(=O)NCCC1CCCCC1 WXVL_AK1287SB0490 [0,1,0,1,0,0|1,0,0]=3 239 B21R1.75561 CCCCCCCCCCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0490 [0,1,0,1,0,0|2,0,0]=4 240 B21R1.75561 CCCCCCCCCCC(=O)NCCC1CCOCC1 WXVL_AK0294SB0490 [0,1,0,1,0,0|2,0,0]=4 241 B21R1.75561 CCCCCCCCCCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0490 [0,1,0,1,0,0|2,0,0]=4 242 B21R1.75561 CCCCCCCCCCC(=O)NCCN1CCCCC1 WXVL_AK0023SB0490 [0,1,0,1,0,0|2,0,0]=4 243 B21R1.67994 CCCCCCCC(O)CC(=O)NCCC1CCCCC1 WXVL_AK1287SB4065 [0,1,0,1,0,0|1,0,0]=3 244 B21R1.67994 CCCCCCCC(O)CC(=O)NCCC1CCCCC1 WXVL_AK1287SB4065 [0,1,0,1,0,0|1,0,0]=3 245 B21R1.67994 CCCCCCCC(O)CC(=O)NCCC1CCOCC1 WXVL_AK0294SB4065 [0,1,0,1,0,0|2,0,0]=4 246 B21R1.67994 CCCCCCCC(O)CC(=O)NCCC1CCOCC1 WXVL_AK0294SB4065 [0,1,0,1,0,0|2,0,0]=4 247 B21R1.67994 CCCCCCCC(O)CC(=O)NCCN1CCCCC1 WXVL_AK0023SB4065 [0,1,0,1,0,0|2,0,0]=4 248 B21R1.67994 CCCCCCCC(O)CC(=O)NCCN1CCCCC1 WXVL_AK0023SB4065 [0,1,0,1,0,0|2,0,0]=4 249 B21R1.68011 CCCCCCCC(O)CC(=O)NCCCN1CCCC1 WXVL_AK0085SB4065 [0,1,0,1,0,0|2,0,0]=4 250 B21R1.68011 CCCCCCCC(O)CC(=O)NCCCN1CCCC1 WXVL_AK0085SB4065 [0,1,0,1,0,0|2,0,0]=4 251 B21R1.68011 CCCCCCCC(O)CC(=O)NCCOC1CCCC1 WXVL_AK3996SB4065 [0,1,0,1,0,0|2,0,0]=4 252 B21R1.68011 CCCCCCCC(O)CC(=O)NCCOC1CCCC1 WXVL_AK3996SB4065 [0,1,0,1,0,0|2,0,0]=4 253 B21R1.68031 CCCCCCCC(O)CC(=O)N1CCCCC1CCO WXVL_AN2918SB4065 [0,1,0,1,0,0|2,0,0]=4 254 B21R1.68031 CCCCCCCC(O)CC(=O)N1CCCCC1COC WXVL_AN0507SB4065 [0,1,0,1,0,0|2,0,0]=4 255 B21R1.68031 CCCCCCCC(O)CC(=O)N1CCCCC1COC WXVL_AN0507SB4065 [0,1,0,1,0,0|2,0,0]=4 256 B21R1.68031 CCCCCCCC(O)CC(=O)N1CCCC[C@@H]1CCO WXVL_AN00657SB4065 [0,1,0,1,0,0|2,0,0]=4 257 B21R1.68038 CCCCCCCC(O)CC(=O)N1CCCC1CCCC WXVL_AN00739SB4065 [0,1,0,1,0,0|1,0,0]=3 258 B21R1.314265 CCCCCCCC(O)CC(=O)NCCC1CCCN1C WXVL_AK2343SB4065 [0,1,0,1,0,0|2,0,0]=4 259 B21R1.314265 CCCCCCCC(O)CC(=O)NCCC1CCCN1C WXVL_AK2343SB4065 [0,1,0,1,0,0|2,0,0]=4 260 B21R1.281 CCCCCCCCCC(=O)NCCN1CCC(CC1)C WXVL_AK0122SB0447 [0,1,0,1,0,0|2,0,0]=4 261 B21R1.281 CCCCCCCCCC(=O)NCCN1CCC(CC1)C WXVL_AK0122SB0447 [0,1,0,1,0,0|2,0,0]=4 262 B21R2.282343 CCCCCCCCCC(=O)N1CC2CCCCC2C1 WXVL_AN0449SB0447 [0,0,0,2,0,0|1,0,0]=3 263 B21R2.282343 CCCCCCCCCC(=O)N1CC2CCCCC2C1 WXVL_AN0449SB0447 [0,0,0,2,0,0|1,0,0]=3 264 B21R2.282343 CCCCCCCCCC(=O)N1C[C@H]2CCCC[C@H]2C1 WXVL_AN00705SB0447 [0,0,0,2,0,0|1,0,0]=3 265 B21R2.282343 CCCCCCCCNC(=O)N1CC2CCCCC2C1 WXVL_AN0449YV0182 [0,0,0,2,0,0|2,0,0]=4 266 B21R2.282343 CCCCCCCCNC(=O)N1CC2CCCCC2C1 WXVL_AN0449YV0182 [0,0,0,2,0,0|2,0,0]=4 267 B21R2.282343 CCCCCCCCNC(=O)N1C[C@H]2CCCC[C@H]2C1 WXVL_AN00705YV0182 [0,0,0,2,0,0|2,0,0]=4 268 B21R2.5068417 CCCCCCCCCC(=O)N1CCN2CCC1CC2 WXVL_AN3774SB0447 [0,0,0,2,0,0|2,0,0]=4 269 B21R2.21436705 CCCCCCCCCC(=O)N1C2CCCC1COC2 WXVL_AN3631SB0447 [0,0,0,2,0,0|2,0,0]=4 270 B21R2.21436705 CCCCCCCCCC(=O)N1C2CCCC1COC2 WXVL_AN3631SB0447 [0,0,0,2,0,0|2,0,0]=4 271 B21R2.282345 CCCCCCCCCC(=O)N1CCC12CCCCC2 WXVL_AN0679SB0447 [0,0,0,2,0,0|1,0,0]=3 272 B21R2.282345 CCCCCCCCCC(=O)N1CCC12CCCCC2 WXVL_AN0679SB0447 [0,0,0,2,0,0|1,0,0]=3 273 B21R2.282345 CCCCCCCCNC(=O)N1CCC12CCCCC2 WXVL_AN0679YV0182 [0,0,0,2,0,0|2,0,0]=4 274 B21R2.282345 CCCCCCCCNC(=O)N1CCC12CCCCC2 WXVL_AN0679YV0182 [0,0,0,2,0,0|2,0,0]=4 275 B21R2.282337 CCCCCCCCCC(=O)N1CCN2CCC[C@@H]2C1 WXVL_AN2926SB0447 [0,0,0,2,0,0|2,0,0]=4 276 B21R2.282337 CCCCCCCCCC(=O)N1CCN2CCC[C@H]2C1 WXVL_AN00689SB0447 [0,0,0,2,0,0|2,0,0]=4 277 B21R2.282337 CCCCCCCCCC(=O)N1CC[C@@H]2COC[C@@H]2C1 WXVL_AN00207SB0447 [0,0,0,2,0,0|2,0,0]=4 278 B21R2.282337 CCCCCCCCCC(=O)N1CC[C@@H]2COC[C@@H]2C1 WXVL_AN00207SB0447 [0,0,0,2,0,0|2,0,0]=4 279 B21R2.21437802 CCCCCCCCNC(=O)CC12CCCN1CCC2 WXVL_AK1818SB00032 [0,0,0,2,0,0|2,0,0]=4 280 B21R2.21437802 CCCCCCCCNC(=O)CC12CCCN1CCC2 WXVL_AK1818SB00032 [0,0,0,2,0,0|2,0,0]=4