0 B19R0.149 C#CCCCCCCCCCCCCCCCC(=O)O CNP0289980.0 [0,0,0,0,0,0|0,0,2]=2 1 B19R0.149 C=CCCCCCCC=CCCCCCCCC(=O)O CNP0586886.0 [0,0,0,0,0,0|0,0,4]=4 2 B19R0.149 CC=CCCCCCCCCCCCCCCC(=O)O CNP0183016.0 [0,0,0,0,0,0|0,0,2]=2 3 B19R0.149 CCC=CC=CCCCCCCCCCCCC(=O)O CNP0342052.0 [0,0,0,0,0,0|0,0,4]=4 4 B19R0.149 CCC=CCCC=CCCCCCCCCCC(=O)O CNP0517125.0 [0,0,0,0,0,0|0,0,4]=4 5 B19R0.149 CCC=CCCCCC=CCCCCCCCC(=O)O CNP0003634.0 [0,0,0,0,0,0|0,0,4]=4 6 B19R0.149 CCC=CCCCCCCCCCCCCCC(=O)O CNP0311945.0 [0,0,0,0,0,0|0,0,2]=2 7 B19R0.149 CCCC=CCCCCCCCCCCCCC(=O)O CNP0300628.0 [0,0,0,0,0,0|0,0,2]=2 8 B19R0.149 CCCCC=CC#CCCCCCCCCCC(=O)O CNP0230874.0 [0,0,0,0,0,0|0,0,4]=4 9 B19R0.149 CCCCC=CC=CCCCCCCCCCC(=O)O CNP0451301.0 [0,0,0,0,0,0|0,0,4]=4 10 B19R0.149 CCCCC=CCC=CCCCCCCCCC(=O)O CNP0138112.0 [0,0,0,0,0,0|0,0,4]=4 11 B19R0.149 CCCCC=CCCCCCCC=CCCCC(=O)O CNP0223953.0 [0,0,0,0,0,0|0,0,4]=4 12 B19R0.149 CCCCC=CCCCCCCCCCCCC(=O)O CNP0290765.0 [0,0,0,0,0,0|0,0,2]=2 13 B19R0.149 CCCCC=CCCCCCCCCCCOC(=O)C CNP0272493.0 [0,0,0,0,0,0|2,0,2]=4 14 B19R0.149 CCCCCC#CC#CCCCCCCCCC(=O)O CNP0085954.0 [0,0,0,0,0,0|0,0,4]=4 15 B19R0.149 CCCCCC#CCC#CCCCCCCCC(=O)O CNP0452901.0 [0,0,0,0,0,0|0,0,4]=4 16 B19R0.149 CCCCCC#CCC=CCCCCCCCC(=O)O CNP0311772.0 [0,0,0,0,0,0|0,0,4]=4 17 B19R0.149 CCCCCC=CC=CCCCCCCCCC(=O)O CNP0212832.0 [0,0,0,0,0,0|0,0,4]=4 18 B19R0.149 CCCCCC=CCC=CCCCCCCCC(=O)O CNP0194582.0 [0,0,0,0,0,0|0,0,4]=4 19 B19R0.149 CCCCCC=CCCC=CCCCCCCC(=O)O CNP0563323.0 [0,0,0,0,0,0|0,0,4]=4 20 B19R0.149 CCCCCC=CCCCCCCCCCCC(=O)O CNP0383129.0 [0,0,0,0,0,0|0,0,2]=2 21 B19R0.149 CCCCCC=CCCCCCCCCCOC(=O)C CNP0299426.0 [0,0,0,0,0,0|2,0,2]=4 22 B19R0.149 CCCCCCC#CC#CCCCCCCCC(=O)O CNP0269017.0 [0,0,0,0,0,0|0,0,4]=4 23 B19R0.149 CCCCCCC=CC#CCCCCCCCC(=O)O CNP0256759.0 [0,0,0,0,0,0|0,0,4]=4 24 B19R0.149 CCCCCCC=CC=CCCCCCCCC(=O)O CNP0416601.0 [0,0,0,0,0,0|0,0,4]=4 25 B19R0.149 CCCCCCC=CCC=CCCCCCCC(=O)O CNP0224078.0 [0,0,0,0,0,0|0,0,4]=4 26 B19R0.149 CCCCCCC=CCCC=CCCCCCC(=O)O CNP0018649.0 [0,0,0,0,0,0|0,0,4]=4 27 B19R0.149 CCCCCCC=CCCCC=CCCCCC(=O)O CNP0259468.0 [0,0,0,0,0,0|0,0,4]=4 28 B19R0.149 CCCCCCC=CCCCCC=CCCCC(=O)O CNP0261014.0 [0,0,0,0,0,0|0,0,4]=4 29 B19R0.149 CCCCCCC=CCCCCCC=CCCC(=O)O CNP0427947.0 [0,0,0,0,0,0|0,0,4]=4 30 B19R0.149 CCCCCCC=CCCCCCCCCCC(=O)O CNP0182779.0 [0,0,0,0,0,0|0,0,2]=2 31 B19R0.149 CCCCCCC=CCCCCCCCCOC(=O)C CNP0110325.0 [0,0,0,0,0,0|2,0,2]=4 32 B19R0.149 CCCCCCCC#CC#CCCCCCCC(=O)O CNP0239481.0 [0,0,0,0,0,0|0,0,4]=4 33 B19R0.149 CCCCCCCC=C=CCCCCCCCC(=O)O CNP0079672.0 [0,0,0,0,0,0|0,0,3]=3 34 B19R0.149 CCCCCCCC=CCCCC=CCCCC(=O)O CNP0158801.0 [0,0,0,0,0,0|0,0,4]=4 35 B19R0.149 CCCCCCCC=CCCCCCCCCC(=O)O CNP0255353.0 [0,0,0,0,0,0|0,0,2]=2 36 B19R0.149 CCCCCCCCC#CC#CCCCCCC(=O)O CNP0343675.0 [0,0,0,0,0,0|0,0,4]=4 37 B19R0.149 CCCCCCCCC#CC=CCCCCCC(=O)O CNP0254017.0 [0,0,0,0,0,0|0,0,4]=4 38 B19R0.149 CCCCCCCCC#CCCCCCCCC(=O)O CNP0108185.0 [0,0,0,0,0,0|0,0,2]=2 39 B19R0.149 CCCCCCCCC=CC#CCCCCCC(=O)O CNP0206292.0 [0,0,0,0,0,0|0,0,4]=4 40 B19R0.149 CCCCCCCCC=CCC#CCCCCC(=O)O CNP0577637.0 [0,0,0,0,0,0|0,0,4]=4 41 B19R0.149 CCCCCCCCC=CCC=CCCCCC(=O)O CNP0296812.0 [0,0,0,0,0,0|0,0,4]=4 42 B19R0.149 CCCCCCCCC=CCCC=CCCCC(=O)O CNP0281671.0 [0,0,0,0,0,0|0,0,4]=4 43 B19R0.149 CCCCCCCCC=CCCCC=CCCC(=O)O CNP0227646.0 [0,0,0,0,0,0|0,0,4]=4 44 B19R0.149 CCCCCCCCC=CCCCCC=CCC(=O)O CNP0490158.0 [0,0,0,0,0,0|0,0,4]=4 45 B19R0.149 CCCCCCCCC=CCCCCCC=CC(=O)O CNP0003422.0 [0,0,0,0,0,0|0,0,4]=4 46 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)C CNP0108374.0 [0,0,0,0,0,0|1,0,2]=3 47 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)Cl CNP0569991.0 [0,0,0,0,0,0|1,0,2]=3 48 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)N CNP0300480.0 [0,0,0,0,0,0|1,0,2]=3 49 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)O CNP0142072.0 [0,0,0,0,0,0|0,0,2]=2 50 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] CNP0513278.0 [0,0,0,0,0,0|0,0,3]=3 51 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] CNP0513626.0 [0,0,0,0,0,0|0,0,3]=3 52 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] CNP0516903.0 [0,0,0,0,0,0|0,0,3]=3 53 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] CNP0551974.0 [0,0,0,0,0,0|0,0,3]=3 54 B19R0.149 CCCCCCCCC=CCCCCCCCC(=O)[O-] CNP0569224.0 [0,0,0,0,0,0|0,0,3]=3 55 B19R0.149 CCCCCCCCC=CCCCCCCOC(=O)C CNP0298581.0 [0,0,0,0,0,0|2,0,2]=4 56 B19R0.149 CCCCCCCCCC=CCCCCCCC(=O)N CNP0513665.0 [0,0,0,0,0,0|1,0,2]=3 57 B19R0.149 CCCCCCCCCC=CCCCCCCC(=O)O CNP0278514.0 [0,0,0,0,0,0|0,0,2]=2 58 B19R0.149 CCCCCCCCCCC=CC#CCCCC(=O)O CNP0162599.0 [0,0,0,0,0,0|0,0,4]=4 59 B19R0.149 CCCCCCCCCCC=CCCCCCC(=O)O CNP0322371.0 [0,0,0,0,0,0|0,0,2]=2 60 B19R0.149 CCCCCCCCCCCC#CCCCCC(=O)O CNP0288361.0 [0,0,0,0,0,0|0,0,2]=2 61 B19R0.149 CCCCCCCCCCCC=C=CCCCC(=O)O CNP0327121.0 [0,0,0,0,0,0|0,0,3]=3 62 B19R0.149 CCCCCCCCCCCC=CCCCCC(=O)O CNP0264980.0 [0,0,0,0,0,0|0,0,2]=2 63 B19R0.149 CCCCCCCCCCCC=CCCCOC(=O)C CNP0237782.0 [0,0,0,0,0,0|2,0,2]=4 64 B19R0.149 CCCCCCCCCCCCC#CCC#CC(=O)O CNP0137178.0 [0,0,0,0,0,0|0,0,4]=4 65 B19R0.149 CCCCCCCCCCCCC#CCCCC(=O)O CNP0112836.0 [0,0,0,0,0,0|0,0,2]=2 66 B19R0.149 CCCCCCCCCCCCC=CCCCC(=O)O CNP0182003.0 [0,0,0,0,0,0|0,0,2]=2 67 B19R0.149 CCCCCCCCCCCCCC=CC=CC(=O)O CNP0280356.0 [0,0,0,0,0,0|0,0,4]=4 68 B19R0.149 CCCCCCCCCCCCCC=CCCC(=O)O CNP0142822.0 [0,0,0,0,0,0|0,0,2]=2 69 B19R0.149 CCCCCCCCCCCCCCC=CCC(=O)O CNP0397080.0 [0,0,0,0,0,0|0,0,2]=2 70 B19R0.149 CCCCCCCCCCCCCCCC=CC(=O)C CNP0479443.0 [0,0,0,0,0,0|1,0,2]=3 71 B19R0.149 CCCCCCCCCCCCCCCC=CC(=O)O CNP0220240.0 [0,0,0,0,0,0|0,0,2]=2 72 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)C CNP0183458.0 [0,0,0,0,0,0|1,0,0]=1 73 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)Cl CNP0204030.0 [0,0,0,0,0,0|1,0,0]=1 74 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)N CNP0310603.0 [0,0,0,0,0,0|1,0,0]=1 75 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)O CNP0396081.0 [0,0,0,0,0,0|0,0,0]=0 76 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CNP0484762.0 [0,0,0,0,0,0|0,0,1]=1 77 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CNP0494283.0 [0,0,0,0,0,0|0,0,1]=1 78 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CNP0502253.0 [0,0,0,0,0,0|0,0,1]=1 79 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CNP0540571.0 [0,0,0,0,0,0|0,0,1]=1 80 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CNP0556098.0 [0,0,0,0,0,0|0,0,1]=1 81 B19R0.149 CCCCCCCCCCCCCCCCCC(=O)[O-] CNP0558494.0 [0,0,0,0,0,0|0,0,1]=1 82 B19R0.149 CCCCCCCCCCCCCCCCCC(C)C CNP0163624.0 [0,0,0,0,0,0|2,0,1]=3 83 B19R0.149 CCCCCCCCCCCCCCCCCC(C)N CNP0076433.0 [0,0,0,0,0,0|2,0,1]=3 84 B19R0.149 CCCCCCCCCCCCCCCCC[14C](=O)O CNP0516392.0 [0,0,0,0,0,0|0,0,0]=0 85 B19R0.149 CCCCCCCCCCCCCCCCOC(=O)C CNP0407720.0 [0,0,0,0,0,0|2,0,0]=2 86 B19R0.149 O=C(O)C=CCCCCCCCCCCCCCCO CNP0274851.0 [0,0,0,0,0,0|1,0,2]=3 87 B19R0.149 O=C(O)CCCCCCCCCCCCCCCCO CNP0308287.0 [0,0,0,0,0,0|1,0,0]=1 88 B18R0.176 C#CCCCCCCCCCCCCCCC(=O)O CNP0536251.0 [1,0,0,0,0,0|0,0,2]=3 89 B18R0.176 CCCCCC=CCCCCCCCCCC(=O)O CNP0237400.0 [1,0,0,0,0,0|0,0,2]=3 90 B18R0.176 CCCCCCC=CCCCCCCCCC(=O)O CNP0150109.0 [1,0,0,0,0,0|0,0,2]=3 91 B18R0.176 CCCCCCCC=CCCCCCCCC(=O)O CNP0307035.0 [1,0,0,0,0,0|0,0,2]=3 92 B18R0.176 CCCCCCCCC=CCCCCCCC(=O)O CNP0157355.0 [1,0,0,0,0,0|0,0,2]=3 93 B18R0.176 CCCCCCCCCC=CCCCCCC(=O)O CNP0206388.0 [1,0,0,0,0,0|0,0,2]=3 94 B18R0.176 CCCCCCCCCCC#CCCCCC(=O)O CNP0287570.0 [1,0,0,0,0,0|0,0,2]=3 95 B18R0.176 CCCCCCCCCCC=CCCCCC(=O)O CNP0377127.0 [1,0,0,0,0,0|0,0,2]=3 96 B18R0.176 CCCCCCCCCCCC=CCCCC(=O)O CNP0370696.0 [1,0,0,0,0,0|0,0,2]=3 97 B18R0.176 CCCCCCCCCCCCC=CCCC(=O)O CNP0190086.0 [1,0,0,0,0,0|0,0,2]=3 98 B18R0.176 CCCCCCCCCCCCCCC=CC(=O)C CNP0524910.0 [1,0,0,0,0,0|1,0,2]=4 99 B18R0.176 CCCCCCCCCCCCCCC=CC(=O)O CNP0076691.0 [1,0,0,0,0,0|0,0,2]=3 100 B18R0.176 CCCCCCCCCCCCCCCCC(=O)C CNP0296335.0 [1,0,0,0,0,0|1,0,0]=2 101 B18R0.176 CCCCCCCCCCCCCCCCC(=O)N CNP0176457.0 [1,0,0,0,0,0|1,0,0]=2 102 B18R0.176 CCCCCCCCCCCCCCCCC(=O)O CNP0215617.0 [1,0,0,0,0,0|0,0,0]=1 103 B18R0.176 CCCCCCCCCCCCCCCCC(C)C CNP0298379.0 [1,0,0,0,0,0|2,0,1]=4 104 B18R0.176 CCCCCCCCCCCCCCCCN(C)C CNP0610107.0 [1,0,0,0,0,0|3,0,0]=4 105 B18R0.176 CCCCCCCCCCCCCCCC[11C](=O)O CNP0486039.0 [1,0,0,0,0,0|0,0,0]=1 106 B18R0.176 CCCCCCCCCCCCCCCC[C@H](C)O CNP0200264.1 [1,0,0,0,0,0|1,0,1]=3 107 B18R0.176 O=C(O)CCCCCC=CCCCCCCCCO CNP0407336.0 [1,0,0,0,0,0|1,0,2]=4 108 B18R0.176 O=C(O)CCCCCCCC=CCCCCCCO CNP0277312.0 [1,0,0,0,0,0|1,0,2]=4 109 B18R0.176 O=C(O)CCCCCCCCCCCC=CCCO CNP0181497.0 [1,0,0,0,0,0|1,0,2]=4 110 B18R0.176 O=C(O)CCCCCCCCCCCCCCCBr CNP0050016.0 [1,0,0,0,0,0|1,0,0]=2 111 B18R0.176 O=C(O)CCCCCCCCCCCCCCCO CNP0148323.0 [1,0,0,0,0,0|1,0,0]=2 112 B18R0.176 O=CCCCCCCCCCCCCCCC(=O)O CNP0081853.0 [1,0,0,0,0,0|1,0,1]=3 113 B18R0.221 C=CCCCCCCCCCCCCCCCC=O CNP0425284.0 [1,0,0,0,0,0|0,0,2]=3 114 B18R0.221 C=CCCCCCCCCCCCCCCCCC CNP0397638.0 [1,0,0,0,0,0|1,0,0]=2 115 B18R0.221 C=COCCCCCCCCCCCCCCCC CNP0017602.0 [1,0,0,0,0,0|2,0,0]=3 116 B18R0.221 CC=CCCCCCCCCCCCCCCC=O CNP0095871.0 [1,0,0,0,0,0|0,0,2]=3 117 B18R0.221 CCCCC=CCCCCCCCCCCCC=O CNP0194996.0 [1,0,0,0,0,0|0,0,2]=3 118 B18R0.221 CCCCC=CCCCCCCCCCCCCO CNP0244254.0 [1,0,0,0,0,0|0,0,3]=4 119 B18R0.221 CCCCCCC=CCCCCCCCCCC=O CNP0386248.0 [1,0,0,0,0,0|0,0,2]=3 120 B18R0.221 CCCCCCC=CCCCCCCCCCCO CNP0133144.0 [1,0,0,0,0,0|0,0,3]=4 121 B18R0.221 CCCCCCC=CCCCCCCCCOC=O CNP0277281.0 [1,0,0,0,0,0|1,0,2]=4 122 B18R0.221 CCCCCCCCC=CCCCCCCCC=O CNP0241623.0 [1,0,0,0,0,0|0,0,2]=3 123 B18R0.221 CCCCCCCCC=CCCCCCCCCO CNP0282006.0 [1,0,0,0,0,0|0,0,3]=4 124 B18R0.221 CCCCCCCCC=CCCCCCCOC=O CNP0201897.0 [1,0,0,0,0,0|1,0,2]=4 125 B18R0.221 CCCCCCCCCCCCCC=CCCCO CNP0611432.0 [1,0,0,0,0,0|0,0,3]=4 126 B18R0.221 CCCCCCCCCCCCCCC=CC=CO CNP0522154.0 [1,0,0,0,0,0|0,0,3]=4 127 B18R0.221 CCCCCCCCCCCCCCCC=CC=O CNP0124730.0 [1,0,0,0,0,0|0,0,2]=3 128 B18R0.221 CCCCCCCCCCCCCCCCC=NO CNP0234975.0 [1,0,0,0,0,0|1,0,1]=3 129 B18R0.221 CCCCCCCCCCCCCCCCCC#N CNP0270491.0 [1,0,0,0,0,0|1,0,1]=3 130 B18R0.221 CCCCCCCCCCCCCCCCCC=O CNP0111144.0 [1,0,0,0,0,0|0,0,0]=1 131 B18R0.221 CCCCCCCCCCCCCCCCCCC CNP0355992.0 [1,0,0,0,0,0|1,0,1]=3 132 B18R0.221 CCCCCCCCCCCCCCCCCCCl CNP0079875.0 [1,0,0,0,0,0|1,0,1]=3 133 B18R0.221 CCCCCCCCCCCCCCCCCCI CNP0496328.0 [1,0,0,0,0,0|1,0,1]=3 134 B18R0.221 CCCCCCCCCCCCCCCCCCO CNP0192475.0 [1,0,0,0,0,0|0,0,1]=2 135 B18R0.221 CCCCCCCCCCCCCCCCCCS CNP0417550.0 [1,0,0,0,0,0|0,1,1]=3 136 B18R0.221 CCCCCCCCCCCCCCCCOC=O CNP0610768.0 [1,0,0,0,0,0|1,0,0]=2 137 B18R0.221 OCCCCCCCCCCCCCCCCCO CNP0176846.0 [1,0,0,0,0,0|1,0,1]=3 138 B20R0.68 CCCCC/C=C\C[C@H](O)CCCCCCCCC(=O)O CNP0263101.1 [0,1,0,0,0,0|0,0,2]=3 139 B20R0.68 CCCCCCC#CC(=O)CCCCCCCCC(=O)O CNP0534631.0 [0,1,0,0,0,0|0,0,3]=4 140 B20R0.68 CCCCCCCCC(=CCCCCCCCC(=O)O)C CNP0274854.0 [0,1,0,0,0,0|0,0,2]=3 141 B20R0.68 CCCCCCCCC(=O)C=CCCCCCCC(=O)O CNP0275340.0 [0,1,0,0,0,0|0,0,3]=4 142 B20R0.68 CCCCCCCCC(=O)CCCCCCCCC(=O)O CNP0202953.0 [0,1,0,0,0,0|0,0,1]=2 143 B20R0.68 CCCCCCCCC(O)CCCCCCC=CC(=O)O CNP0557378.0 [0,1,0,0,0,0|0,0,2]=3 144 B20R0.68 CCCCCCCC[C@@H](C)CCCCCCCCC(=O)O CNP0337860.2 [0,1,0,0,0,0|0,0,0]=1 145 B20R0.68 CCCCCCCC[C@@H](O)/C=C/CCCCCCC(=O)O CNP0328303.1 [0,1,0,0,0,0|0,0,2]=3 146 B20R0.68 CCCCCCCC[C@H](C)CCCCCCCCC(=O)O CNP0337860.1 [0,1,0,0,0,0|0,0,0]=1 147 B20R0.68 CCCCCCCC[C@H](O)/C=C/CCCCCCC(=O)O CNP0328303.2 [0,1,0,0,0,0|0,0,2]=3 148 B20R0.68 CCCCCCCC[C@H](O)CCCCCCCCC(=O)O CNP0323031.1 [0,1,0,0,0,0|0,0,0]=1 149 B20R0.68 O=C(O)CCCCCCCC[C@@H](O)CCCCCCCO CNP0321691.1 [0,1,0,0,0,0|1,0,0]=2 150 B20R0.90 CCCCCCC(=O)C=CCCCCCCCCC(=O)O CNP0200287.0 [0,1,0,0,0,0|0,0,3]=4 151 B20R0.90 CCCCCCC(=O)CC=CCCCCCCCC(=O)O CNP0221937.0 [0,1,0,0,0,0|0,0,3]=4 152 B20R0.90 CCCCCCC(=O)CCC=CCCCCCCC(=O)O CNP0088109.0 [0,1,0,0,0,0|0,0,3]=4 153 B20R0.90 CCCCCCC(=O)CCCCCCCCCCC(=O)O CNP0422321.0 [0,1,0,0,0,0|0,0,1]=2 154 B20R0.90 CCCCCCC(C)CCCCCCCCCCC(=O)O CNP0480239.0 [0,1,0,0,0,0|0,0,0]=1 155 B20R0.90 CCCCCCC(O)C#CCCCCCCCCC(=O)O CNP0601321.0 [0,1,0,0,0,0|0,0,2]=3 156 B20R0.90 CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)O CNP0311322.5 [0,1,0,0,0,0|0,0,2]=3 157 B20R0.90 CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O CNP0311322.2 [0,1,0,0,0,0|0,0,2]=3 158 B20R0.90 CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)O CNP0311322.3 [0,1,0,0,0,0|0,0,2]=3 159 B20R0.90 CCCCCC[C@@H](O)CCCCCCCCCCC(=O)O CNP0162893.2 [0,1,0,0,0,0|0,0,0]=1 160 B20R0.90 CCCCCC[C@H](C)CCCCC/C=C/CCCC(=O)O CNP0018545.1 [0,1,0,0,0,0|0,0,2]=3 161 B20R0.90 CCCCCC[C@H](O)C/C=C/CCCCCCCC(=O)O CNP0311322.1 [0,1,0,0,0,0|0,0,2]=3 162 B20R0.90 CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)O CNP0311322.4 [0,1,0,0,0,0|0,0,2]=3 163 B20R0.90 CCCCCC[C@H](O)CCCCCCCCCCC(=O)O CNP0162893.1 [0,1,0,0,0,0|0,0,0]=1 164 B20R0.138 CCCCCCCCCCCCCC(=O)CCCC(=O)O CNP0252370.0 [0,1,0,0,0,0|0,0,1]=2 165 B20R0.138 CCCCCCCCCCCCCC(=O)CCOC(=O)C CNP0297631.0 [0,1,0,0,0,0|2,0,1]=4 166 B20R0.484 CCC[C@H](O)CCCCCCCCCCCCCC(=O)O CNP0298036.1 [0,1,0,0,0,0|0,0,0]=1 167 B20R0.2931 CCCCCCCCCCCCCCCC(=O)CC(=O)O CNP0347004.0 [0,1,0,0,0,0|0,0,1]=2 168 B20R0.2931 CCCCCCCCCCCCCCC[C@@H](O)CC(=O)O CNP0305153.1 [0,1,0,0,0,0|0,0,0]=1 169 B20R0.2931 CCCCCCCCCCCCCCC[C@H](O)CC(=O)O CNP0305153.2 [0,1,0,0,0,0|0,0,0]=1 170 B20R0.3034 CC=CCCCCCCCCCCCCCCC(=O)OC CNP0155409.0 [0,1,0,0,0,0|0,0,2]=3 171 B20R0.3034 CCCCC=CCCCCCCCCCCCC(=O)OC CNP0223307.0 [0,1,0,0,0,0|0,0,2]=3 172 B20R0.3034 CCCCCC=CCCCCCCCCCCC(=O)OC CNP0346657.0 [0,1,0,0,0,0|0,0,2]=3 173 B20R0.3034 CCCCCCC#CCCCCCCCCCC(=O)OC CNP0264568.0 [0,1,0,0,0,0|0,0,2]=3 174 B20R0.3034 CCCCCCC=CCCCCCCCCCC(=O)OC CNP0242273.0 [0,1,0,0,0,0|0,0,2]=3 175 B20R0.3034 CCCCCCCC=CCCCCCCCCC(=O)OC CNP0388640.0 [0,1,0,0,0,0|0,0,2]=3 176 B20R0.3034 CCCCCCCCC#CCCCCCCCC(=O)OC CNP0306927.0 [0,1,0,0,0,0|0,0,2]=3 177 B20R0.3034 CCCCCCCCC=CCCCCCCCC(=O)OC CNP0185882.0 [0,1,0,0,0,0|0,0,2]=3 178 B20R0.3034 CCCCCCCCCC=CCCCCCCC(=O)OC CNP0085843.0 [0,1,0,0,0,0|0,0,2]=3 179 B20R0.3034 CCCCCCCCCCC=CCCCCCC(=O)OC CNP0131333.0 [0,1,0,0,0,0|0,0,2]=3 180 B20R0.3034 CCCCCCCCCCCC#CCCCCC(=O)OC CNP0498190.0 [0,1,0,0,0,0|0,0,2]=3 181 B20R0.3034 CCCCCCCCCCCC=C=CCCCC(=O)OC CNP0109722.0 [0,1,0,0,0,0|0,0,3]=4 182 B20R0.3034 CCCCCCCCCCCC=CCCCCC(=O)OC CNP0301674.0 [0,1,0,0,0,0|0,0,2]=3 183 B20R0.3034 CCCCCCCCCCCCCCCC=CC(=O)OC CNP0077006.0 [0,1,0,0,0,0|0,0,2]=3 184 B20R0.3034 CCCCCCCCCCCCCCCCCC(=O)OC CNP0105908.0 [0,1,0,0,0,0|0,0,0]=1 185 B20R0.3034 CCCCCCCCCCCCCCCCC[C@@H](C)CC CNP0245561.2 [0,1,0,0,0,0|2,0,1]=4 186 B20R0.3034 CCCCCCCCCCCCCCCCC[C@H](C)CC CNP0245561.1 [0,1,0,0,0,0|2,0,1]=4 187 B20R0.3034 CCCCCCCCCCCCCCCCC[C@H](O)CO CNP0331092.1 [0,1,0,0,0,0|0,0,2]=3 188 B20R0.3034 CCCCCCCCCCCCCCCCOC(=O)CC CNP0610568.0 [0,1,0,0,0,0|2,0,0]=3 189 B20R0.3034 CCCCCCCCCCCCCCCOC[C@@H](O)CO CNP0051617.1 [0,1,0,0,0,0|1,0,2]=4 190 B20R0.3034 COC(=O)CCCCCCCCCCCCCCCCO CNP0188999.0 [0,1,0,0,0,0|1,0,0]=2 191 B20R0.3037 CCCCCCCCCCCCCCCCC(=O)C(=O)O CNP0083491.0 [0,1,0,0,0,0|0,0,1]=2 192 B20R0.3037 CCCCCCCCCCCCCCCC[C@@H](C)C(=O)O CNP0159210.1 [0,1,0,0,0,0|0,0,0]=1 193 B20R0.3037 CCCCCCCCCCCCCCCC[C@@H](O)C(=O)O CNP0286833.2 [0,1,0,0,0,0|0,0,0]=1 194 B20R0.3037 CCCCCCCCCCCCCCCC[C@H](C)C(C)C CNP0547929.1 [0,1,0,0,0,0|2,0,1]=4 195 B20R0.3037 CCCCCCCCCCCCCCCC[C@H](O)C(=O)O CNP0286833.1 [0,1,0,0,0,0|0,0,0]=1 196 B20R0.3041 CCCCCCCCCCCCCCC(=O)C=CC(=O)O CNP0326924.0 [0,1,0,0,0,0|0,0,3]=4 197 B20R0.3041 CCCCCCCCCCCCCCC(=O)CCC(=O)O CNP0139863.0 [0,1,0,0,0,0|0,0,1]=2 198 B20R0.3041 CCCCCCCCCCCCCCC(=O)NCC(=O)O CNP0196744.0 [0,1,0,0,0,0|1,0,1]=3 199 B20R0.10422 CCCCCCC=CCCCC(=O)CCCCCC(=O)O CNP0294813.0 [0,1,0,0,0,0|0,0,3]=4 200 B20R0.10422 CCCCCCCCCCCC(=CCCCCC(=O)O)C CNP0087374.0 [0,1,0,0,0,0|0,0,2]=3 201 B20R0.10422 CCCCCCCCCCCC(=O)CCCCCC(=O)O CNP0226415.0 [0,1,0,0,0,0|0,0,1]=2 202 B20R0.10422 CCCCCCCCCCC[C@H](O)CCCCCC(=O)O CNP0115210.1 [0,1,0,0,0,0|0,0,0]=1 203 B20R0.17440 CCC=CCCCCCC(=O)CCCCCCCC(=O)O CNP0435696.0 [0,1,0,0,0,0|0,0,3]=4 204 B20R0.17440 CCCCC/C=C/CC[C@H](O)CCCCCCCC(=O)O CNP0391845.2 [0,1,0,0,0,0|0,0,2]=3 205 B20R0.17440 CCCCC/C=C\CC[C@@H](O)CCCCCCCC(=O)O CNP0391845.3 [0,1,0,0,0,0|0,0,2]=3 206 B20R0.17440 CCCCC/C=C\CC[C@H](O)CCCCCCCC(=O)O CNP0391845.1 [0,1,0,0,0,0|0,0,2]=3 207 B20R0.17440 CCCCC=CCCCC(=O)CCCCCCCC(=O)O CNP0151855.0 [0,1,0,0,0,0|0,0,3]=4 208 B20R0.17440 CCCCCC/C=C\C[C@H](O)CCCCCCCC(=O)O CNP0232755.1 [0,1,0,0,0,0|0,0,2]=3 209 B20R0.17440 CCCCCC=CCCC(=O)CCCCCCCC(=O)O CNP0181450.0 [0,1,0,0,0,0|0,0,3]=4 210 B20R0.17440 CCCCCCC/C=C/[C@H](O)CCCCCCCC(=O)O CNP0262551.1 [0,1,0,0,0,0|0,0,2]=3 211 B20R0.17440 CCCCCCC=CCC(=O)CCCCCCCC(=O)O CNP0322921.0 [0,1,0,0,0,0|0,0,3]=4 212 B20R0.17440 CCCCCCCC=CC(=O)CCCCCCCC(=O)O CNP0202303.0 [0,1,0,0,0,0|0,0,3]=4 213 B20R0.17440 CCCCCCCCCC(=O)C=CCCCCCC(=O)O CNP0302110.0 [0,1,0,0,0,0|0,0,3]=4 214 B20R0.17440 CCCCCCCCCC(=O)CCCCCCCC(=O)O CNP0352661.0 [0,1,0,0,0,0|0,0,1]=2 215 B20R0.17440 CCCCCCCCC[C@@H](O)CCCCCCCC(=O)O CNP0357717.1 [0,1,0,0,0,0|0,0,0]=1 216 B20R0.17440 CCCCCCCCC[C@H](O)CCCCCCCC(=O)O CNP0357717.2 [0,1,0,0,0,0|0,0,0]=1 217 B20R0.22238 CCCCCCCCCCCCC(=O)C=CCCC(=O)O CNP0447502.0 [0,1,0,0,0,0|0,0,3]=4 218 B20R0.22238 CCCCCCCCCCCCC(=O)CCCCC(=O)O CNP0308313.0 [0,1,0,0,0,0|0,0,1]=2 219 B20R0.22238 CCCCCCCCCCCC[C@@H](O)/C=C/CCC(=O)O CNP0268078.2 [0,1,0,0,0,0|0,0,2]=3 220 B20R0.22238 CCCCCCCCCCCC[C@H](O)/C=C/CCC(=O)O CNP0268078.1 [0,1,0,0,0,0|0,0,2]=3 221 B20R0.22238 CCCCCCCCCCCC[C@H](O)CCCCC(=O)C CNP0183777.1 [0,1,0,0,0,0|1,0,0]=2 222 B20R0.26099 CCC(O)CCCCCCCCCCCCCCC(=O)O CNP0216986.0 [0,1,0,0,0,0|0,0,0]=1 223 B20R0.26099 CC[C@@H](C)CCCCCCCCCCCCCCC(=O)O CNP0133830.2 [0,1,0,0,0,0|0,0,0]=1 224 B20R0.26099 CC[C@@H](O)CCCCC/C=C\CCCCCCCC(=O)O CNP0291160.1 [0,1,0,0,0,0|0,0,2]=3 225 B20R0.26099 CC[C@H](C)CCCCCCCCCCCCCCC(=O)O CNP0133830.1 [0,1,0,0,0,0|0,0,0]=1 226 B20R0.26099 COC(=O)CCCCCCCCCCCCCCC(=O)O CNP0147504.0 [0,1,0,0,0,0|1,0,1]=3 227 B20R0.31940 C=CCCCCCC=CCCCCCCCCCC(=O)O CNP0433211.0 [0,1,0,0,0,0|0,0,3]=4 228 B20R0.31940 C=CCCCCCCCCCC=CCCCCCC(=O)O CNP0435505.0 [0,1,0,0,0,0|0,0,3]=4 229 B20R0.31940 C=CCCCCCCCCCCCCC#CCCC(=O)O CNP0196970.0 [0,1,0,0,0,0|0,0,3]=4 230 B20R0.31940 C=CCCCCCCCCCCCCCCCCC(=O)O CNP0379387.0 [0,1,0,0,0,0|0,0,1]=2 231 B20R0.31940 CCCCCC=CCC=CCCCCCCCCC(=O)O CNP0193211.0 [0,1,0,0,0,0|0,0,3]=4 232 B20R0.31940 CCCCCC=CCCCCCCCCCCCC(=O)O CNP0107903.0 [0,1,0,0,0,0|0,0,1]=2 233 B20R0.31940 CCCCCC=CCCCCCCCCCCOC(=O)C CNP0199602.0 [0,1,0,0,0,0|1,0,2]=4 234 B20R0.31940 CCCCCCC=CCC#CCCCCCCCC(=O)O CNP0244629.0 [0,1,0,0,0,0|0,0,3]=4 235 B20R0.31940 CCCCCCC=CCC=CCCCCCCCC(=O)O CNP0252067.0 [0,1,0,0,0,0|0,0,3]=4 236 B20R0.31940 CCCCCCC=CCCCCCCCCCCC(=O)O CNP0283159.0 [0,1,0,0,0,0|0,0,1]=2 237 B20R0.31940 CCCCCCCC=CC=CCCCCCCCC(=O)O CNP0122538.0 [0,1,0,0,0,0|0,0,3]=4 238 B20R0.31940 CCCCCCCC=CCCCCCCCCCC(=O)O CNP0138159.0 [0,1,0,0,0,0|0,0,1]=2 239 B20R0.31940 CCCCCCCCC=CCCCCCCCCC(=O)O CNP0256208.0 [0,1,0,0,0,0|0,0,1]=2 240 B20R0.31940 CCCCCCCCC=CCCCCCCCOC(=O)O CNP0487858.0 [0,1,0,0,0,0|0,0,2]=3 241 B20R0.31940 CCCCCCCCCC=CCC=CCCCCC(=O)O CNP0147255.0 [0,1,0,0,0,0|0,0,3]=4 242 B20R0.31940 CCCCCCCCCC=CCCC=CCCCC(=O)O CNP0264010.0 [0,1,0,0,0,0|0,0,3]=4 243 B20R0.31940 CCCCCCCCCC=CCCCCCCCC(=O)O CNP0272148.0 [0,1,0,0,0,0|0,0,1]=2 244 B20R0.31940 CCCCCCCCCCCCC#CCCCCC(=O)O CNP0317408.0 [0,1,0,0,0,0|0,0,1]=2 245 B20R0.31940 CCCCCCCCCCCCC=CCCCCC(=O)O CNP0293546.0 [0,1,0,0,0,0|0,0,1]=2 246 B20R0.31940 CCCCCCCCCCCCCC=CCCCC(=O)O CNP0586334.0 [0,1,0,0,0,0|0,0,1]=2 247 B20R0.31940 CCCCCCCCCCCCCCC=CC=CC(=O)O CNP0609171.0 [0,1,0,0,0,0|0,0,3]=4 248 B20R0.31940 CCCCCCCCCCCCCCCCC=CC(=O)C CNP0484096.0 [0,1,0,0,0,0|1,0,1]=3 249 B20R0.31940 CCCCCCCCCCCCCCCCC=CC(=O)O CNP0264275.0 [0,1,0,0,0,0|0,0,1]=2 250 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)C CNP0393947.0 [0,1,0,0,0,0|1,0,0]=2 251 B20R0.31940 CCCCCCCCCCCCCCCCCCC(=O)O CNP0364249.0 [0,1,0,0,0,0|0,0,0]=1 252 B20R0.31940 CCCCCCCCCCCCCCCCCCC(C)C CNP0081952.0 [0,1,0,0,0,0|2,0,1]=4 253 B20R0.31940 CCCCCCCCCCCCCCCCCC[C@H](C)O CNP0149819.1 [0,1,0,0,0,0|1,0,1]=3 254 B20R0.31940 CCCCCCCCCCCCCCCCCOC(=O)C CNP0524205.0 [0,1,0,0,0,0|1,0,0]=2 255 B20R0.31940 O=C(O)C=CCCCCCCCCCCCCCCCO CNP0612146.0 [0,1,0,0,0,0|0,0,2]=3 256 B20R0.31940 O=C(O)CCCCCCCC=CCCCCCCCCO CNP0163525.0 [0,1,0,0,0,0|0,0,2]=3 257 B20R0.31940 O=C(O)CCCCCCCCCCCCCCCCCO CNP0156319.0 [0,1,0,0,0,0|0,0,0]=1 258 B20R0.31940 O=CCCCCCCCC=CCCCCCCCC(=O)O CNP0083855.0 [0,1,0,0,0,0|0,0,3]=4 259 B20R0.31968 CCCCCCC/C=C\C[C@H](O)CCCCCCC(=O)O CNP0327112.1 [0,1,0,0,0,0|0,0,2]=3 260 B20R0.31968 CCCCCCCC/C=C/[C@H](O)CCCCCCC(=O)O CNP0304485.2 [0,1,0,0,0,0|0,0,2]=3 261 B20R0.31968 CCCCCCCC/C=C\[C@H](O)CCCCCCC(=O)O CNP0304485.1 [0,1,0,0,0,0|0,0,2]=3 262 B20R0.31968 CCCCCCCCC#CC(=O)CCCCCCC(=O)O CNP0542264.0 [0,1,0,0,0,0|0,0,3]=4 263 B20R0.31968 CCCCCCCCC=CC(=O)CCCCCCC(=O)O CNP0079903.0 [0,1,0,0,0,0|0,0,3]=4 264 B20R0.32069 CCCCC/C=C/[C@@H](C)CCCCCCCCCC(=O)O CNP0256363.1 [0,1,0,0,0,0|0,0,2]=3 265 B20R0.32069 CCCCC/C=C/[C@H](O)CCCCCCCCCC(=O)O CNP0190115.1 [0,1,0,0,0,0|0,0,2]=3 266 B20R0.32069 CCCCCC=CC(=O)CCCCCCCCCC(=O)O CNP0319317.0 [0,1,0,0,0,0|0,0,3]=4 267 B20R0.32069 CCCCCCCC(=O)CCCCCCCCCC(=O)O CNP0161813.0 [0,1,0,0,0,0|0,0,1]=2 268 B20R0.32069 CCCCCCC[C@H](C)CCCCCCCCCC(=O)O CNP0042457.1 [0,1,0,0,0,0|0,0,0]=1 269 B20R0.32069 CCCCCCC[C@H](O)/C=C\CCCCCCCC(=O)O CNP0194205.1 [0,1,0,0,0,0|0,0,2]=3 270 B20R0.32069 CCCCCCC[C@H](O)CCCCCCCCCC(=O)O CNP0112984.1 [0,1,0,0,0,0|0,0,0]=1 271 B20R0.32444 CCCCC(=O)CCCCCCCCCCCCC(=O)O CNP0587116.0 [0,1,0,0,0,0|0,0,1]=2 272 B20R0.32444 CCCCC(C)CCCC=CCCCCCCCC(=O)O CNP0597683.0 [0,1,0,0,0,0|0,0,2]=3 273 B20R0.32444 CCCC[C@@H](O)/C=C\CCCCCCCCCCC(=O)O CNP0227906.1 [0,1,0,0,0,0|0,0,2]=3 274 B20R0.32444 CCCC[C@H](O)CCCCCCCCCCCCC(=O)O CNP0112828.1 [0,1,0,0,0,0|0,0,0]=1 275 B20R0.32509 CCCCCCCCCCCCCCCCC[As](=O)(C)C CNP0105863.0 [0,1,0,0,0,0|2,0,0]=3 276 B20R0.32509 CCCCCCCCCCCCCCCCOS(=O)(=O)O CNP0310104.0 [0,1,0,0,0,0|2,0,0]=3 277 B20R0.32990 CCCCCC(=O)CCC=CCCCCCCCC(=O)O CNP0276161.0 [0,1,0,0,0,0|0,0,3]=4 278 B20R0.32990 CCCCCC(=O)CCCCCCCCCCCC(=O)O CNP0474314.0 [0,1,0,0,0,0|0,0,1]=2 279 B20R0.32990 CCCCC[C@@H](O)CCCCCCCCCCCC(=O)O CNP0297490.1 [0,1,0,0,0,0|0,0,0]=1 280 B20R0.32990 CCCCC[C@H](O)CCCCCCCCCCCC(=O)O CNP0297490.2 [0,1,0,0,0,0|0,0,0]=1 281 B20R0.35227 CC(C)CCCCCCCC=CCCCCCCC(=O)O CNP0574741.0 [0,1,0,0,0,0|0,0,2]=3 282 B20R0.35227 CC(C)CCCCCCCCC=CCCCCCC(=O)O CNP0017927.0 [0,1,0,0,0,0|0,0,2]=3 283 B20R0.35227 CC(C)CCCCCCCCCC=CCCCCC(=O)O CNP0017928.0 [0,1,0,0,0,0|0,0,2]=3 284 B20R0.35227 CC(C)CCCCCCCCCCCCCCCC(=O)O CNP0259687.0 [0,1,0,0,0,0|0,0,0]=1 285 B20R0.35227 C[C@H](O)CCCCCC/C=C\CCCCCCCC(=O)O CNP0169075.1 [0,1,0,0,0,0|0,0,2]=3 286 B20R0.35227 C[C@H](O)CCCCCCCCCCCCCCCC(=O)O CNP0161161.1 [0,1,0,0,0,0|0,0,0]=1 287 B20R0.35227 O=C(O)CCCCCCCCCCCCCCCC(=O)O CNP0200960.0 [0,1,0,0,0,0|1,0,1]=3 288 B20R1.250 CCCCCCCCCCCCC[C@@H]1CCC[C@H](N1)C CNP0208746.1 [0,0,0,1,0,0|2,0,1]=4 289 B20R1.250 CCCCCCCCCCCCC[C@H]1CCCC(=O)O1 CNP0282148.1 [0,0,0,1,0,0|0,0,0]=1 290 B20R1.250 CCCCCCCCCCCCC[C@H]1CCC[C@H](N1)C CNP0208746.2 [0,0,0,1,0,0|2,0,1]=4 291 B20R1.3309 CCCCCCCC/C=C/CCCC[C@@H]1CCC(=O)O1 CNP0246040.3 [0,0,0,1,0,0|0,0,2]=3 292 B20R1.3309 CCCCCCCC/C=C\CCCC[C@@H]1CCC(=O)O1 CNP0246040.1 [0,0,0,1,0,0|0,0,2]=3 293 B20R1.3309 CCCCCCCCC=CCCCC[C@@H]1CCC(=O)O1 CNP0246040.4 [0,0,0,1,0,0|0,0,2]=3 294 B20R1.3309 CCCCCCCCC=CCCCC[C@H]1CCC(=O)O1 CNP0246040.2 [0,0,0,1,0,0|0,0,2]=3 295 B20R1.23098 O=C1C=CCCCCCCCCCCCCCCCO1 CNP0564774.0 [0,0,0,1,0,0|0,0,2]=3 296 B20R1.23098 O=C1CCCCCCCC=CCCCCCCCCO1 CNP0323773.0 [0,0,0,1,0,0|0,0,2]=3 297 B20R1.23098 O=C1CCCCCCCCCCCCCCCCCC1 CNP0216804.0 [0,0,0,1,0,0|1,0,0]=2 298 B20R1.23098 O=C1CCCCCCCCCCCCCCCCCO1 CNP0138330.0 [0,0,0,1,0,0|0,0,0]=1 299 B20R1.30779 O=C(O)CCCCCCCC=CCCC1CCCCC1 CNP0100764.0 [0,0,0,1,0,0|0,0,2]=3 300 B20R1.31096 O=C(O)CCCCCCCCCCCCC1CCCC1 CNP0263255.0 [0,0,0,1,0,0|0,0,0]=1 301 B20R1.31096 O=C(O)CCCCCCCCCCCC[C@@H]1C=CCC1 CNP0220085.2 [0,0,0,1,0,0|0,0,2]=3 302 B20R1.31096 O=C(O)CCCCCCCCCCCC[C@H]1C=CCC1 CNP0220085.1 [0,0,0,1,0,0|0,0,2]=3 303 B20R1.34039 CCCCCCCCC1=C(C1)CCCCCCC(=O)O CNP0298273.0 [0,0,0,1,0,0|0,0,2]=3 304 B20R1.34039 CCCCCCCC[C@H]1C[C@@H]1CCCCCCC(=O)O CNP0141412.1 [0,0,0,1,0,0|0,0,0]=1 305 B20R1.35182 CCCCCC[C@@H]1C[C@@H]1CCCCCCCCC(=O)O CNP0427411.1 [0,0,0,1,0,0|0,0,0]=1 306 B20R1.60133 CCCCCCC[C@H]1/C=C\CCCCCCCC(=O)O1 CNP0248949.1 [0,0,0,1,0,0|0,0,2]=3 307 B20R1.65963 CCCCCCCCCCCCCCCCCC1CO1 CNP0588775.0 [0,0,0,1,0,0|1,0,1]=3 308 B20R1.439899 CCCCCCCCCCCCC1CC1CCC(=O)O CNP0429803.0 [0,0,0,1,0,0|0,0,0]=1 309 B20R1.440616 CCCCC[C@H]1CC/C=C\CCCCCCCC(=O)O1 CNP0331294.1 [0,0,0,1,0,0|0,0,2]=3 310 B20R1.688472 O=C(O)CCCCCCCCCCC1=CCCCCC1 CNP0335292.0 [0,0,0,1,0,0|0,0,2]=3 311 B20R1.688472 O=C(O)CCCCCCCCCCC1CCCCCC1 CNP0214972.0 [0,0,0,1,0,0|0,0,0]=1 312 B20R1.768542 CCCCCCCCCCCC=C=C[C@H]1C[C@@H]1C(=O)O CNP0201599.1 [0,0,0,1,0,0|0,0,3]=4 313 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O CNP0346646.0 [2,0,0,0,0,0|0,0,2]=4 314 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O CNP0402177.0 [2,0,0,0,0,0|0,0,2]=4 315 B17R0.43 CCC=CCCCCCCCCCCCC(=O)O CNP0122829.0 [2,0,0,0,0,0|0,0,2]=4 316 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O CNP0136432.0 [2,0,0,0,0,0|0,0,2]=4 317 B17R0.43 CCCCCC=CCCCCCCCCC(=O)O CNP0252758.0 [2,0,0,0,0,0|0,0,2]=4 318 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O CNP0307038.0 [2,0,0,0,0,0|0,0,2]=4 319 B17R0.43 CCCCCCCC=CCCCCCCC(=O)O CNP0573774.0 [2,0,0,0,0,0|0,0,2]=4 320 B17R0.43 CCCCCCCCC#CCCCCCC(=O)O CNP0281107.0 [2,0,0,0,0,0|0,0,2]=4 321 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O CNP0272289.0 [2,0,0,0,0,0|0,0,2]=4 322 B17R0.43 CCCCCCCCCC#CCCCCC(=O)O CNP0216850.0 [2,0,0,0,0,0|0,0,2]=4 323 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O CNP0204690.0 [2,0,0,0,0,0|0,0,2]=4 324 B17R0.43 CCCCCCCCCCC=CCCCC(=O)O CNP0204286.0 [2,0,0,0,0,0|0,0,2]=4 325 B17R0.43 CCCCCCCCCCCC=CCCC(=O)O CNP0187858.0 [2,0,0,0,0,0|0,0,2]=4 326 B17R0.43 CCCCCCCCCCCCC=CCC(=O)O CNP0135366.0 [2,0,0,0,0,0|0,0,2]=4 327 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O CNP0340973.0 [2,0,0,0,0,0|0,0,2]=4 328 B17R0.43 CCCCCCCCCCCCCCCC(=O)C CNP0188334.0 [2,0,0,0,0,0|1,0,0]=3 329 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl CNP0198740.0 [2,0,0,0,0,0|1,0,0]=3 330 B17R0.43 CCCCCCCCCCCCCCCC(=O)N CNP0243925.0 [2,0,0,0,0,0|1,0,0]=3 331 B17R0.43 CCCCCCCCCCCCCCCC(=O)O CNP0420987.0 [2,0,0,0,0,0|0,0,0]=2 332 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0495891.0 [2,0,0,0,0,0|0,0,1]=3 333 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0499278.0 [2,0,0,0,0,0|0,0,1]=3 334 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0554778.0 [2,0,0,0,0,0|0,0,1]=3 335 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0601923.0 [2,0,0,0,0,0|0,0,1]=3 336 B17R0.43 CCCCCCCCCCCCCCCC(C)O CNP0605434.0 [2,0,0,0,0,0|1,0,1]=4 337 B17R0.43 CCCCCCCCCCCCCCCC(O)O CNP0508737.0 [2,0,0,0,0,0|0,0,2]=4 338 B17R0.43 CCCCCCCCCCCCCCOC(=O)C CNP0192551.0 [2,0,0,0,0,0|2,0,0]=4 339 B17R0.43 O=C(O)CCCCCCCCCCCCCCO CNP0323800.0 [2,0,0,0,0,0|1,0,0]=3 340 B17R0.43 [2H]C(=O)CCCCCCCCCCCCCCC CNP0578199.0 [2,0,0,0,0,0|1,0,0]=3 341 B17R0.117 C#CCCCCCCCCCCCCCCCC CNP0537981.0 [2,0,0,0,0,0|0,0,2]=4 342 B17R0.117 C=CCCCCCCCCCCCCCCC=O CNP0563317.0 [2,0,0,0,0,0|0,0,2]=4 343 B17R0.117 C=CCCCCCCCCCCCCCCCC CNP0120235.0 [2,0,0,0,0,0|0,0,1]=3 344 B17R0.117 CC=CCCCCCCCCCCCCCC=O CNP0076503.0 [2,0,0,0,0,0|0,0,2]=4 345 B17R0.117 CCCC#CCCCCCCCCCCCCO CNP0172721.0 [2,0,0,0,0,0|0,0,2]=4 346 B17R0.117 CCCCCC=CCCCCCCCCCCO CNP0216177.0 [2,0,0,0,0,0|0,0,2]=4 347 B17R0.117 CCCCCCCCC=CCCCCCCC=O CNP0249012.0 [2,0,0,0,0,0|0,0,2]=4 348 B17R0.117 CCCCCCCCCCCCCCCCC#N CNP0157550.0 [2,0,0,0,0,0|1,0,1]=4 349 B17R0.117 CCCCCCCCCCCCCCCCC=O CNP0188255.0 [2,0,0,0,0,0|0,0,0]=2 350 B17R0.117 CCCCCCCCCCCCCCCCCC CNP0316858.0 [2,0,0,0,0,0|0,0,1]=3 351 B17R0.117 CCCCCCCCCCCCCCCCCO CNP0226027.0 [2,0,0,0,0,0|0,0,0]=2 352 B17R0.117 CCCCCCCCCCCCCCCC[14CH2]O CNP0601499.0 [2,0,0,0,0,0|0,0,0]=2 353 B17R0.117 OCCCCCCCCCCCCCCCCO CNP0114182.0 [2,0,0,0,0,0|1,0,0]=3 354 B17R0.117 [CH2]CCCCCCCCCCCCCCCCC CNP0523804.0 [2,0,0,0,0,0|0,0,1]=3 355 B19R0.35 CCCCCCCCCCCCCC[C@H](C)CC(=O)O CNP0187436.1 [1,1,0,0,0,0|0,0,0]=2 356 B19R0.35 CCCCCCCCCCCCCC[C@H](O)CC(=O)O CNP0392012.1 [1,1,0,0,0,0|0,0,0]=2 357 B19R0.59 CCCCCCC[C@H](C)CCCCCCCCC(=O)O CNP0321832.1 [1,1,0,0,0,0|0,0,0]=2 358 B19R0.59 CCCCCCC[C@H](O)CCCC/C=C\CCC(=O)O CNP0262196.1 [1,1,0,0,0,0|0,0,2]=4 359 B19R0.59 O=C(O)CCCCCCCCC(=O)CCCCCCO CNP0298250.0 [1,1,0,0,0,0|1,0,1]=4 360 B19R0.59 O=C(O)CCCCCCCC[C@@H](O)CCCCCCO CNP0346467.2 [1,1,0,0,0,0|1,0,0]=3 361 B19R0.59 O=C(O)CCCCCCCC[C@H](O)CCCCCCO CNP0346467.1 [1,1,0,0,0,0|1,0,0]=3 362 B19R0.71 CCCCCCCCC(O)CCCCCC=CC(=O)O CNP0567318.0 [1,1,0,0,0,0|0,0,2]=4 363 B19R0.71 O=C(O)CCCCCCCC(=O)CCCCCCCO CNP0114811.0 [1,1,0,0,0,0|1,0,1]=4 364 B19R0.71 O=C(O)CCCCCCCC(O)CCCCCCCO CNP0330125.0 [1,1,0,0,0,0|1,0,0]=3 365 B19R0.71 O=C(O)CCCCCCC[C@@H](O)CCCCCCCO CNP0330125.1 [1,1,0,0,0,0|1,0,0]=3 366 B19R0.92 CCCCCCCCCCCC[C@H](C)CCCC(=O)C CNP0179200.1 [1,1,0,0,0,0|1,0,0]=3 367 B19R0.148 C=CC(=O)OCCCCCCCCCCCCCCC CNP0584939.0 [1,1,0,0,0,0|2,0,0]=4 368 B19R0.148 CCCCCC=CCCCCCCCCCC(=O)OC CNP0242705.0 [1,1,0,0,0,0|0,0,2]=4 369 B19R0.148 CCCCCCC=CCCCCCCCCC(=O)OC CNP0086436.0 [1,1,0,0,0,0|0,0,2]=4 370 B19R0.148 CCCCCCCC=CCCCCCCCC(=O)OC CNP0126715.0 [1,1,0,0,0,0|0,0,2]=4 371 B19R0.148 CCCCCCCCC=CCCCCCCC(=O)OC CNP0179953.0 [1,1,0,0,0,0|0,0,2]=4 372 B19R0.148 CCCCCCCCCCCCCCC=CC(=O)OC CNP0501018.0 [1,1,0,0,0,0|0,0,2]=4 373 B19R0.148 CCCCCCCCCCCCCCCCC(=O)OC CNP0180209.0 [1,1,0,0,0,0|0,0,0]=2 374 B19R0.148 CCCCCCCCCCCCCCCCC(Br)C=O CNP0576081.0 [1,1,0,0,0,0|1,0,1]=4 375 B19R0.148 CCCCCCCCCCCCCCCCN(O)N=O CNP0316464.0 [1,1,0,0,0,0|1,0,0]=3 376 B19R0.148 CCCCCCCCCCCCCCCC[C@H](C)CO CNP0242923.1 [1,1,0,0,0,0|1,0,1]=4 377 B19R0.148 CCCCCCCCCCCCCCCC[C@H](O)CO CNP0333048.1 [1,1,0,0,0,0|0,0,2]=4 378 B19R0.148 CCCCCCCCCCCCCCCC[N+](=NO)[O-] CNP0485227.0 [1,1,0,0,0,0|1,0,1]=4 379 B19R0.148 CCCCCCCCCCCCCCCOC(=O)CCl CNP0526120.0 [1,1,0,0,0,0|2,0,0]=4 380 B19R0.148 COC(=O)CCCCCCCCCCCCCCC#N CNP0003170.0 [1,1,0,0,0,0|1,0,1]=4 381 B19R0.148 COC(=O)CCCCCCCCCCCCCCCO CNP0363217.0 [1,1,0,0,0,0|1,0,0]=3 382 B19R0.153 CCCCCCCCCCCCCCCC(C)C(=O)O CNP0165104.0 [1,1,0,0,0,0|0,0,0]=2 383 B19R0.153 CCCCCCCCCCCCCCC[C@@H](O)C(=O)O CNP0174958.2 [1,1,0,0,0,0|0,0,0]=2 384 B19R0.153 CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)O CNP0310128.2 [1,1,0,0,0,0|1,0,1]=4 385 B19R0.153 CCCCCCCCCCCCCCC[C@H](O)C(=O)O CNP0174958.1 [1,1,0,0,0,0|0,0,0]=2 386 B19R0.153 CCCCCCCCCCCCCCC[C@H](O)[C@H](C)O CNP0310128.1 [1,1,0,0,0,0|1,0,1]=4 387 B19R0.153 CCCCCCCCCCCCCOC[C@@H](N)C(=O)O CNP0326494.2 [1,1,0,0,0,0|1,0,0]=3 388 B19R0.157 CCCCCCCCCCCCCC(=O)NCC(=O)O CNP0364014.0 [1,1,0,0,0,0|1,0,1]=4 389 B19R0.157 CCCCCCCCCCCCC[C@H](C)CCC(=O)O CNP0326908.1 [1,1,0,0,0,0|0,0,0]=2 390 B19R0.443 CC(C)CCCCCC=CCCCCCCCC(=O)O CNP0461121.0 [1,1,0,0,0,0|0,0,2]=4 391 B19R0.443 CC(C)CCCCCCCCCCCCCCC(=O)O CNP0221763.0 [1,1,0,0,0,0|0,0,0]=2 392 B19R0.443 O=C(O)CCCCCCCCCCCCCCC(=O)O CNP0211094.0 [1,1,0,0,0,0|1,0,1]=4 393 B19R0.2958 C#CCCCC(O)CCCCCCCCCCC(=O)O CNP0313673.0 [1,1,0,0,0,0|0,0,2]=4 394 B19R0.2958 CCC=CCC(O)CCCCCCCCCCC(=O)O CNP0569250.0 [1,1,0,0,0,0|0,0,2]=4 395 B19R0.2958 CCCCCC(O)CC=CCCCCCCCC(=O)O CNP0579899.0 [1,1,0,0,0,0|0,0,2]=4 396 B19R0.2958 CCCCC[C@H](O)CCCCCCCCCCC(=O)O CNP0588069.1 [1,1,0,0,0,0|0,0,0]=2 397 B19R0.3040 CCCC(=O)CCCCCCCCCCCCC(=O)O CNP0479460.0 [1,1,0,0,0,0|0,0,1]=3 398 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)Cl CNP0076297.0 [1,1,0,0,0,0|1,0,1]=4 399 B19R0.3102 CCCCCCCCCCCCCCCCS(=O)(=O)O CNP0021287.0 [1,1,0,0,0,0|1,0,0]=3 400 B19R0.7840 CCCC[C@H](C)CCCCCCCCCCCC(=O)C CNP0376586.1 [1,1,0,0,0,0|1,0,0]=3 401 B19R0.9205 CCCC/C=C\CCCCC[C@H](C)CCCCC(=O)O CNP0250639.1 [1,1,0,0,0,0|0,0,2]=4 402 B19R0.9205 CCCCCCC/C=C/CC[C@H](C)CCCCC(=O)O CNP0226069.1 [1,1,0,0,0,0|0,0,2]=4 403 B19R0.21384 CC[C@@H](C)CCCCCCCCCCCCCC(=O)O CNP0456091.1 [1,1,0,0,0,0|0,0,0]=2 404 B19R0.21384 CC[C@H](C)CCCCCCCCCCCCCC(=O)O CNP0456091.2 [1,1,0,0,0,0|0,0,0]=2 405 B19R0.21384 O=C(O)CCCCCCCCCCCCC[C@H](O)CO CNP0243456.1 [1,1,0,0,0,0|1,0,0]=3 406 B19R0.23236 O=C(O)CCCCC[C@@H](O)CCCCCCCCCO CNP0138950.1 [1,1,0,0,0,0|1,0,0]=3 407 B19R0.26214 CCCCCCCCC[C@H](O)CCCCCCC(=O)O CNP0243207.1 [1,1,0,0,0,0|0,0,0]=2 408 B19R0.26214 O=C(O)CCCCCCC(=O)CCCCCCCCO CNP0346515.0 [1,1,0,0,0,0|1,0,1]=4 409 B19R0.26214 O=C(O)CCCCCC[C@@H](O)CCCCCCCCO CNP0107442.1 [1,1,0,0,0,0|1,0,0]=3 410 B19R0.36 C#CCCCCCCCCCCCCCCCCCC CNP0610570.0 [1,1,0,0,0,0|1,0,1]=4 411 B19R0.36 C=CCC=CCCCCCCCCCCCCCCC CNP0138225.0 [1,1,0,0,0,0|1,0,1]=4 412 B19R0.36 C=CCCCCCCCCCCCCCCCCC=C CNP0305614.0 [1,1,0,0,0,0|1,0,1]=4 413 B19R0.36 C=CCCCCCCCCCCCCCCCCCC CNP0209183.0 [1,1,0,0,0,0|1,0,0]=3 414 B19R0.36 CCC=CCCCCCCCCCCCCCCCC CNP0314255.0 [1,1,0,0,0,0|1,0,1]=4 415 B19R0.36 CCCCCCCCCCCCCC=CCCCCO CNP0565524.0 [1,1,0,0,0,0|0,0,2]=4 416 B19R0.36 CCCCCCCCCCCCCCCCCCC#N CNP0018010.0 [1,1,0,0,0,0|1,0,1]=4 417 B19R0.36 CCCCCCCCCCCCCCCCCCC=O CNP0181983.0 [1,1,0,0,0,0|0,0,0]=2 418 B19R0.36 CCCCCCCCCCCCCCCCCCCC CNP0228467.0 [1,1,0,0,0,0|1,0,1]=4 419 B19R0.36 CCCCCCCCCCCCCCCCCCCO CNP0322716.0 [1,1,0,0,0,0|0,0,1]=3 420 B19R0.36 CCCCCCCCCCCCCCCCCCNC CNP0085634.0 [1,1,0,0,0,0|1,0,1]=4 421 B19R0.36 O=C=CCCCCCCCCCCCCCCCCO CNP0300555.0 [1,1,0,0,0,0|1,0,0]=3 422 B19R0.36 OCCCCCCCCCCCCCCCCCCO CNP0228062.0 [1,1,0,0,0,0|0,0,1]=3 423 B19R0.182 CCCCCCCCCCCCCCCC(=O)CCO CNP0593211.0 [1,1,0,0,0,0|0,0,2]=4 424 B19R0.182 CCCCCCCCCCCCCCC[C@H](O)CCO CNP0128115.1 [1,1,0,0,0,0|0,0,1]=3 425 B19R0.18065 CCCCCCCCCCCC[C@H](C)CCCCCO CNP0267912.1 [1,1,0,0,0,0|0,0,1]=3 426 B19R0.18065 CCCCCC[C@H](C)CCCCCCCCCCCO CNP0254201.1 [1,1,0,0,0,0|0,0,1]=3 427 B19R0.18065 CCCCCC[C@H](O)CCCCCCCCCCCO CNP0086118.1 [1,1,0,0,0,0|0,0,1]=3 428 B19R0.23229 CCCCCCCCCCC(C)CCCCCCCC CNP0539069.0 [1,1,0,0,0,0|1,0,1]=4 429 B19R0.23229 CCCCCCCCCC[C@H](C)CCCCCCCO CNP0301392.1 [1,1,0,0,0,0|0,0,1]=3 430 B19R0.23229 CCCCCCCC[C@H](C)CCCCCCCCCO CNP0358636.1 [1,1,0,0,0,0|0,0,1]=3 431 B19R0.25648 CCCCCCCCCCCCCC(O)CCCCC CNP0501184.0 [1,1,0,0,0,0|1,0,1]=4 432 B19R0.26208 CCCCCCCCCC(C)CCCCCCCCC CNP0574908.0 [1,1,0,0,0,0|1,0,1]=4 433 B19R0.26208 CCCCCCCCCC(O)CCCCCCCCC CNP0152747.0 [1,1,0,0,0,0|1,0,1]=4 434 B19R0.26303 CCCCCCCCCCCCCCC(C)CCCO CNP0135884.0 [1,1,0,0,0,0|0,0,1]=3 435 B19R0.26303 CCCCCCCCCCCCCCC(O)CCCO CNP0598935.0 [1,1,0,0,0,0|0,0,1]=3 436 B19R0.26303 CCCC[C@H](C)CCCCCCCCCCCCCO CNP0318282.1 [1,1,0,0,0,0|0,0,1]=3 437 B21R0.72 CCCCCCC(C)CC(C)CCCCCCCCC(=O)O CNP0434279.0 [0,2,0,0,0,0|0,0,0]=2 438 B21R0.9111 C=C(CCCCCCCC)C(=O)CCCCCCCC(=O)O CNP0586850.0 [0,2,0,0,0,0|0,0,2]=4 439 B21R0.9111 CCCCC/C=C/C[C@H](O)[C@H](O)CCCCCCCC(=O)O CNP0217807.3 [0,2,0,0,0,0|0,0,2]=4 440 B21R0.9111 CCCCC/C=C\C[C@@H](O)[C@H](O)CCCCCCCC(=O)O CNP0217807.1 [0,2,0,0,0,0|0,0,2]=4 441 B21R0.9111 CCCCC/C=C\C[C@H](O)[C@H](O)CCCCCCCC(=O)O CNP0217807.2 [0,2,0,0,0,0|0,0,2]=4 442 B21R0.9111 CCCCCCCCC(Cl)C(O)CCCCCCCC(=O)O CNP0100775.0 [0,2,0,0,0,0|0,0,0]=2 443 B21R0.9111 CCCCCCCCC(O)C(Cl)CCCCCCCC(=O)O CNP0018484.0 [0,2,0,0,0,0|0,0,0]=2 444 B21R0.9111 CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCC(=O)O CNP0413661.3 [0,2,0,0,0,0|0,0,0]=2 445 B21R0.9111 CCCCCCCC[C@@H](O)[C@H](O)CCCCCCCC(=O)O CNP0413661.2 [0,2,0,0,0,0|0,0,0]=2 446 B21R0.9111 CCCCCCCC[C@H](O)[C@@H](O)CCCCCCCC(=O)O CNP0413661.4 [0,2,0,0,0,0|0,0,0]=2 447 B21R0.9111 CCCCCCCC[C@H](O)[C@H](O)CCCCCCCC(=O)O CNP0413661.1 [0,2,0,0,0,0|0,0,0]=2 448 B21R0.9111 O=C(O)CCCCCCC[C@@H](O)[C@@H](O)CCCCCCCO CNP0156107.1 [0,2,0,0,0,0|1,0,0]=3 449 B21R0.10777 CCCCCCCCC(=O)CCCCCCCCC(=O)OC CNP0252345.0 [0,2,0,0,0,0|0,0,1]=3 450 B21R0.10777 CCCCCCCC[C@H](C)CCCCCCCCC(=O)OC CNP0232040.1 [0,2,0,0,0,0|0,0,0]=2 451 B21R0.10777 CCCCCCCC[C@H](O)CCCCCCCCC(=O)OC CNP0313917.1 [0,2,0,0,0,0|0,0,0]=2 452 B21R0.32823 CCCCCCCC[C@@H](O)/C=C/[C@H](O)CCCCCC(=O)O CNP0406042.1 [0,2,0,0,0,0|0,0,2]=4 453 B21R0.32823 CCCCCCCC[C@@H](O)/C=C\[C@@H](O)CCCCCC(=O)O CNP0406042.4 [0,2,0,0,0,0|0,0,2]=4 454 B21R0.32823 CCCCCCCC[C@@H](O)/C=C\[C@H](O)CCCCCC(=O)O CNP0406042.2 [0,2,0,0,0,0|0,0,2]=4 455 B21R0.32823 CCCCCCCC[C@H](O)/C=C\[C@@H](O)CCCCCC(=O)O CNP0406042.5 [0,2,0,0,0,0|0,0,2]=4 456 B21R0.32823 CCCCCCCC[C@H](O)/C=C\[C@H](O)CCCCCC(=O)O CNP0406042.3 [0,2,0,0,0,0|0,0,2]=4 457 B21R0.36685 O=C(O)CCCCCCCC[C@@H](O)CCCCCCCCO CNP0314157.1 [0,2,0,0,0,0|0,0,0]=2 458 B21R0.2950 CCCCCCC[C@H](O)CCCCCCCCCCC(=O)O CNP0415114.1 [0,2,0,0,0,0|0,0,0]=2 459 B21R0.21192 CCCCCCC(=O)CCCCCCCCCCC(=O)OC CNP0397496.0 [0,2,0,0,0,0|0,0,1]=3 460 B21R0.21192 CCCCCC[C@@H](O)C/C=C/CCCCCCCC(=O)OC CNP0179358.2 [0,2,0,0,0,0|0,0,2]=4 461 B21R0.21192 CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC CNP0179358.1 [0,2,0,0,0,0|0,0,2]=4 462 B21R0.21192 CCCCCC[C@@H](O)CCCCCCCCCCC(=O)OC CNP0178504.1 [0,2,0,0,0,0|0,0,0]=2 463 B21R0.21192 CCCCCC[C@H](O)C/C=C\CCCCCCCC(=O)OC CNP0179358.3 [0,2,0,0,0,0|0,0,2]=4 464 B21R0.21192 CCCCCC[C@H](O)CCCCCCCCCCC(=O)OC CNP0178504.2 [0,2,0,0,0,0|0,0,0]=2 465 B21R0.36431 CCCCCCC(Cl)C(O)CCCCCCCCCC(=O)O CNP0122506.0 [0,2,0,0,0,0|0,0,0]=2 466 B21R0.36431 CCCCCCC(O)C(Cl)CCCCCCCCCC(=O)O CNP0260590.0 [0,2,0,0,0,0|0,0,0]=2 467 B21R0.36593 CCCCCC[C@H](O)CCCC/C=C\[C@H](O)CCCC(=O)O CNP0237288.1 [0,2,0,0,0,0|0,0,2]=4 468 B21R0.37067 CCCCC[C@@H](O)[C@@H](O)C/C=C\CCCCCCCC(=O)O CNP0158824.1 [0,2,0,0,0,0|0,0,2]=4 469 B21R0.37067 CCCCC[C@@H](O)[C@H](O)C/C=C\CCCCCCCC(=O)O CNP0158824.4 [0,2,0,0,0,0|0,0,2]=4 470 B21R0.37067 CCCCC[C@H](O)[C@@H](O)C/C=C/CCCCCCCC(=O)O CNP0158824.3 [0,2,0,0,0,0|0,0,2]=4 471 B21R0.37067 CCCCC[C@H](O)[C@@H](O)C/C=C\CCCCCCCC(=O)O CNP0158824.2 [0,2,0,0,0,0|0,0,2]=4 472 B21R0.37067 CCCCC[C@H](O)[C@H](O)C/C=C/CCCCCCCC(=O)O CNP0158824.5 [0,2,0,0,0,0|0,0,2]=4 473 B21R0.37067 CCCCC[C@H](O)[C@H](O)C/C=C\CCCCCCCC(=O)O CNP0158824.6 [0,2,0,0,0,0|0,0,2]=4 474 B21R0.25505 CCCCCCCCCCCCCC(=O)CCCC(=O)OC CNP0384008.0 [0,2,0,0,0,0|0,0,1]=3 475 B21R0.32984 CCCCCCCC/C=C\[C@H](O)CC[C@@H](O)CCCC(=O)O CNP0374012.1 [0,2,0,0,0,0|0,0,2]=4 476 B21R0.14440 CCC(O)C(O)CCCCCCCCCCCCCC(=O)O CNP0353078.0 [0,2,0,0,0,0|0,0,0]=2 477 B21R0.16616 CCCC[C@H](O)CCCCCCCCCCCCCC(=O)O CNP0232628.1 [0,2,0,0,0,0|0,0,0]=2 478 B21R0.85 CCCCCCCCCCCCCCCCC(=O)CC(=O)O CNP0566797.0 [0,2,0,0,0,0|0,0,0]=2 479 B21R0.2970 CCCCCCCCCCCCCCCC(=C(O)C(=O)O)O CNP0490706.0 [0,2,0,0,0,0|0,0,2]=4 480 B21R0.2970 CCCCCCCCCCCCCCCC(O)C(O)C(=O)O CNP0604365.0 [0,2,0,0,0,0|0,0,0]=2 481 B21R0.9297 CCCCCCCCCCCCCCCC(CC(=O)O)OC CNP0487704.0 [0,2,0,0,0,0|0,0,0]=2 482 B21R0.36393 CCCCCCCCCCCCCCCC(=O)CC(=O)OC CNP0165399.0 [0,2,0,0,0,0|0,0,1]=3 483 B21R0.36393 CCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CO CNP0209445.1 [0,2,0,0,0,0|0,0,2]=4 484 B21R0.36393 CCCCCCCCCCCCCCC[C@H](O)CC(=O)OC CNP0112938.1 [0,2,0,0,0,0|0,0,0]=2 485 B21R0.36393 CCCCCCCCCCCCCCC[C@H](O)C[C@H](O)CO CNP0209445.2 [0,2,0,0,0,0|0,0,2]=4 486 B21R0.2907 CCCCC=CCCCCCCCCCCCC(=O)OCC CNP0232563.0 [0,2,0,0,0,0|0,0,2]=4 487 B21R0.2907 CCCCCCCCC=CCCCCCCCC(=O)OCC CNP0199663.0 [0,2,0,0,0,0|0,0,2]=4 488 B21R0.2907 CCCCCCCCCCCCCCCC=CC(=O)OCC CNP0504154.0 [0,2,0,0,0,0|0,0,2]=4 489 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)CCO CNP0365004.0 [0,2,0,0,0,0|0,0,0]=2 490 B21R0.2907 CCCCCCCCCCCCCCCCCC(=O)OCC CNP0233393.0 [0,2,0,0,0,0|0,0,0]=2 491 B21R0.2907 CCCCCCCCCCCCCCCCCC(O)CCO CNP0580465.0 [0,2,0,0,0,0|0,0,2]=4 492 B21R0.2929 CCCCC/C=C/CC[C@H](O)CCCCCCCC(=O)OC CNP0236466.1 [0,2,0,0,0,0|0,0,2]=4 493 B21R0.2929 CCCCC/C=C\CC[C@H](O)CCCCCCCC(=O)OC CNP0236466.2 [0,2,0,0,0,0|0,0,2]=4 494 B21R0.2929 CCCCCC/C=C\C[C@H](O)CCCCCCCC(=O)OC CNP0373395.1 [0,2,0,0,0,0|0,0,2]=4 495 B21R0.2929 CCCCCC=CCC[C@H](O)CCCCCCCC(=O)OC CNP0236466.3 [0,2,0,0,0,0|0,0,2]=4 496 B21R0.2929 CCCCCCCCCC(=O)CCCCCCCC(=O)OC CNP0252541.0 [0,2,0,0,0,0|0,0,1]=3 497 B21R0.2929 CCCCCCCCC[C@@H](O)CCCCCCCC(=O)OC CNP0321577.1 [0,2,0,0,0,0|0,0,0]=2 498 B21R0.2973 CCCCCCCC/C=C/CCCCCC[C@@H](O)C(=O)OC CNP0242499.2 [0,2,0,0,0,0|0,0,2]=4 499 B21R0.2973 CCCCCCCCC=CCCCCCC[C@@H](O)C(=O)OC CNP0242499.1 [0,2,0,0,0,0|0,0,2]=4 500 B21R0.2973 CCCCCCCCCCCCCC/C=C/[C@H](O)C(=O)OC CNP0287457.1 [0,2,0,0,0,0|0,0,2]=4 501 B21R0.2973 CCCCCCCCCCCCCCCCC(=O)C(=O)OC CNP0491698.0 [0,2,0,0,0,0|0,0,1]=3 502 B21R0.2973 CCCCCCCCCCCCCCCC[C@H](O)C(=O)OC CNP0285546.1 [0,2,0,0,0,0|0,0,0]=2 503 B21R0.9167 CCCCCCCCCCCC(O)CCCCCC(=O)OC CNP0584041.0 [0,2,0,0,0,0|0,0,0]=2 504 B21R0.16361 C#C[C@H](O)CCCCCCCCCCCCC(C)CCCC CNP0212934.2 [0,2,0,0,0,0|1,0,1]=4 505 B21R0.16361 C#C[C@H](O)CCCCCCCCCCCC[C@@H](C)CCCC CNP0212934.1 [0,2,0,0,0,0|1,0,1]=4 506 B21R0.16361 CCCCC(=O)CCCCCCCCCCCCC(=O)OC CNP0292875.0 [0,2,0,0,0,0|0,0,1]=3 507 B21R0.16361 CCCC[C@H](C)CCCCCCCCCCCCC(=O)OC CNP0307831.1 [0,2,0,0,0,0|0,0,0]=2 508 B21R0.18597 CCCCCCCCCCC(=O)CCCCCCC(=O)OC CNP0160527.0 [0,2,0,0,0,0|0,0,1]=3 509 B21R0.23597 CCCCCC(=O)CCCCCCCCCCCC(=O)OC CNP0248223.0 [0,2,0,0,0,0|0,0,1]=3 510 B21R0.23597 CCCCC[C@@H](O)CCCCCCCCCCCC(=O)OC CNP0041486.1 [0,2,0,0,0,0|0,0,0]=2 511 B21R0.24664 CCC(=O)CCCCCCCCCCCCCCC(=O)OC CNP0124129.0 [0,2,0,0,0,0|0,0,1]=3 512 B21R0.24664 CC[C@@H](C)CCCCCCCCCCCCCCC(=O)OC CNP0310758.2 [0,2,0,0,0,0|0,0,0]=2 513 B21R0.24664 CC[C@H](C)CCCCCCCCCCCCCCC(=O)OC CNP0310758.1 [0,2,0,0,0,0|0,0,0]=2 514 B21R0.24664 COC(=O)CCCCCCCCCCCCCCC(=O)OC CNP0331814.0 [0,2,0,0,0,0|1,0,1]=4 515 B21R0.30140 C#C[C@@H](O)CCCCCCCCCCCCCCCC(C)C CNP0195859.1 [0,2,0,0,0,0|1,0,1]=4 516 B21R0.30140 C#C[C@H](O)CCCCCCCCCCCCCCCC(C)C CNP0195859.2 [0,2,0,0,0,0|1,0,1]=4 517 B21R0.30140 CC(C)CCCCCCCCCCCCCCC[C@H](O)CO CNP0258189.1 [0,2,0,0,0,0|0,0,2]=4 518 B21R0.30140 CCC(C)CCCCCCCCCCCCCCCC(=O)O CNP0533944.0 [0,2,0,0,0,0|0,0,0]=2 519 B21R0.30140 COC(=O)CCCCCCCCCCCCCCCC(C)C CNP0269749.0 [0,2,0,0,0,0|0,0,0]=2 520 B21R0.30140 COC(=O)CCCCCCCCCCCCCCC[C@H](C)O CNP0109694.1 [0,2,0,0,0,0|0,0,0]=2 521 B21R0.32104 CCCCCCCCCCCCCCC(=O)CCC(=O)OC CNP0217380.0 [0,2,0,0,0,0|0,0,1]=3 522 B21R0.36766 CCCCCCCC=CCCCCCCCCCC(=O)OC CNP0331065.0 [0,2,0,0,0,0|0,0,1]=3 523 B21R0.36766 CCCCCCCCCCCCC#CCCCCC(=O)OC CNP0502425.0 [0,2,0,0,0,0|0,0,1]=3 524 B21R0.36766 CCCCCCCCCCCCCCCCCCC(=O)OC CNP0171454.0 [0,2,0,0,0,0|0,0,0]=2 525 B21R0.36766 CCCCCCCCCCCCCCCCCC[C@H](O)CO CNP0227024.1 [0,2,0,0,0,0|0,0,2]=4 526 B21R0.36766 CCCCCCCCCCCCCCCCOC[C@@H](O)CO CNP0130660.2 [0,2,0,0,0,0|0,0,2]=4 527 B21R0.36766 CCCCCCCCCCCCCCCCOC[C@H](O)CO CNP0130660.1 [0,2,0,0,0,0|0,0,2]=4 528 B21R0.36766 CCCCCCCCCOCCCCCCCCC(=O)OC CNP0611986.0 [0,2,0,0,0,0|0,0,0]=2 529 B21R0.36766 COC(=O)CCCCCCCC=CCCCCCCCCO CNP0248945.0 [0,2,0,0,0,0|0,0,2]=4 530 B21R0.36766 COC(=O)CCCCCCCCCCCCCCCCCO CNP0261377.0 [0,2,0,0,0,0|0,0,0]=2 531 B21R0.36769 CCCCCCCCCCCCCCCCC=C(C)C(=O)O CNP0559219.0 [0,2,0,0,0,0|0,0,1]=3 532 B21R0.36769 CCCCCCCCCCCCCCCCC=C(O)C(=O)O CNP0532008.0 [0,2,0,0,0,0|0,0,1]=3 533 B21R0.36769 CCCCCCCCCCCCCCCCCC(=O)C(=O)O CNP0592806.0 [0,2,0,0,0,0|0,0,0]=2 534 B21R0.36769 CCCCCCCCCCCCCCCCC[C@H](O)C(=O)O CNP0118925.1 [0,2,0,0,0,0|0,0,0]=2 535 B21R0.37037 CCCCCC=CC(C)CCCCCCCCCC(=O)OC CNP0551557.0 [0,2,0,0,0,0|0,0,2]=4 536 B21R0.37037 CCCCCCC=C(C)CCCCCCCCCC(=O)OC CNP0251639.0 [0,2,0,0,0,0|0,0,2]=4 537 B21R0.37037 CCCCCCCC(=O)CCCCCCCCCC(=O)OC CNP0413254.0 [0,2,0,0,0,0|0,0,1]=3 538 B21R0.37037 CCCCCCCC(C)CCCCCCCCCC(=O)OC CNP0191634.0 [0,2,0,0,0,0|0,0,0]=2 539 B21R0.9296 CCCCCCCCC=CCCCCCCC(CC)C(=O)O CNP0443750.0 [0,2,0,0,0,0|0,0,2]=4 540 B21R0.9296 CCCCCCCCCCCCCCCC[C@@H](OC)C(=O)O CNP0424708.1 [0,2,0,0,0,0|0,0,0]=2 541 B21R0.22911 CC(C)CCCCCCCCCCCCCC[C@@H](O)C(=O)O CNP0327266.2 [0,2,0,0,0,0|0,0,0]=2 542 B21R0.22911 CC(C)CCCCCCCCCCCCCC[C@H](O)C(=O)O CNP0327266.1 [0,2,0,0,0,0|0,0,0]=2 543 B21R0.24666 CC[C@H](C)CCCCCCCCCCCCC[C@@H](O)C(=O)O CNP0143010.1 [0,2,0,0,0,0|0,0,0]=2 544 B21R0.37123 CCCCCCCCCCCCCCCCC(O)(O)C(=O)O CNP0003480.0 [0,2,0,0,0,0|0,0,0]=2 545 B21R0.36773 CCCCCCCCCCCCCCCC(=O)NCC(=O)O CNP0346946.0 [0,2,0,0,0,0|0,0,1]=3 546 B21R0.18300 CCCCCCCCC=CC(O)C(O)CCCCCC(=O)O CNP0044748.0 [0,2,0,0,0,0|0,0,2]=4 547 B21R0.18300 CCCCCCCCCCC(O)C(O)CCCCCC(=O)O CNP0565813.0 [0,2,0,0,0,0|0,0,0]=2 548 B21R0.16820 CCCC[C@H](O)CCCC[C@H](O)CCCCCCCC(=O)O CNP0342486.1 [0,2,0,0,0,0|0,0,0]=2 549 B21R0.22988 O=C(O)CCCCCCCC(O)CCCCCCCC(=O)O CNP0312625.0 [0,2,0,0,0,0|1,0,1]=4 550 B21R0.32985 O=C(O)CCCCCCC[C@@H](O)CCCCCCCCCO CNP0273796.1 [0,2,0,0,0,0|0,0,0]=2 551 B21R0.294 CCCC(C)CCCCCC=CCCCCCCCC(=O)O CNP0275038.0 [0,2,0,0,0,0|0,0,1]=3 552 B21R0.294 CCOC(=O)CCCCCCCCCCCCCCC(=O)O CNP0262129.0 [0,2,0,0,0,0|0,0,1]=3 553 B21R0.81 C=CCCCCCCCCCCCCCCCCOC(=O)C CNP0581391.0 [0,2,0,0,0,0|1,0,1]=4 554 B21R0.81 CCCC=CCCCCCCCCCCCCCCC(=O)O CNP0221752.0 [0,2,0,0,0,0|0,0,0]=2 555 B21R0.81 CCCC=CCCCCCCCCCCCCCOC(=O)C CNP0503389.0 [0,2,0,0,0,0|1,0,1]=4 556 B21R0.81 CCCCC=CCCC=CCCCCCCCCCC(=O)O CNP0205137.0 [0,2,0,0,0,0|0,0,2]=4 557 B21R0.81 CCCCC=CCCCC=CCCCCCCCCC(=O)O CNP0248328.0 [0,2,0,0,0,0|0,0,2]=4 558 B21R0.81 CCCCC=CCCCCCCCCC=CCCCC(=O)O CNP0435406.0 [0,2,0,0,0,0|0,0,2]=4 559 B21R0.81 CCCCC=CCCCCCCCCCCCCCC(=O)O CNP0104547.0 [0,2,0,0,0,0|0,0,0]=2 560 B21R0.81 CCCCC=CCCCCCCCCCCCCOC(=O)C CNP0310433.0 [0,2,0,0,0,0|1,0,1]=4 561 B21R0.81 CCCCCC=CCC=CCCCCCCCCCC(=O)O CNP0151710.0 [0,2,0,0,0,0|0,0,2]=4 562 B21R0.81 CCCCCC=CCCC=CCCCCCCCCC(=O)O CNP0306187.0 [0,2,0,0,0,0|0,0,2]=4 563 B21R0.81 CCCCCC=CCCCCC=CCCCCCCC(=O)O CNP0115280.0 [0,2,0,0,0,0|0,0,2]=4 564 B21R0.81 CCCCCC=CCCCCCCC=CCCCCC(=O)O CNP0018544.0 [0,2,0,0,0,0|0,0,2]=4 565 B21R0.81 CCCCCC=CCCCCCCCCCCCCC(=O)O CNP0330894.0 [0,2,0,0,0,0|0,0,0]=2 566 B21R0.81 CCCCCCC=CCC=CCCCCCCCCC(=O)O CNP0076699.0 [0,2,0,0,0,0|0,0,2]=4 567 B21R0.81 CCCCCCC=CCCC=CCCCCCCCC(=O)O CNP0018209.0 [0,2,0,0,0,0|0,0,2]=4 568 B21R0.81 CCCCCCC=CCCCCC=CCCCCCC(=O)O CNP0436365.0 [0,2,0,0,0,0|0,0,2]=4 569 B21R0.81 CCCCCCC=CCCCCCCCCCCCC(=O)O CNP0239049.0 [0,2,0,0,0,0|0,0,0]=2 570 B21R0.81 CCCCCCC=CCCCCCCCCCCOC(=O)C CNP0187801.0 [0,2,0,0,0,0|1,0,1]=4 571 B21R0.81 CCCCCCCC=CCCCC=CCCCCCC(=O)O CNP0428289.0 [0,2,0,0,0,0|0,0,2]=4 572 B21R0.81 CCCCCCCC=CCCCCCCCCCCC(=O)C CNP0490052.0 [0,2,0,0,0,0|1,0,0]=3 573 B21R0.81 CCCCCCCC=CCCCCCCCCCCC(=O)O CNP0225151.0 [0,2,0,0,0,0|0,0,0]=2 574 B21R0.81 CCCCCCCCC=CCC=CCCCCCCC(=O)O CNP0207342.0 [0,2,0,0,0,0|0,0,2]=4 575 B21R0.81 CCCCCCCCC=CCCCC=CCCCCC(=O)O CNP0018599.0 [0,2,0,0,0,0|0,0,2]=4 576 B21R0.81 CCCCCCCCC=CCCCCC=CCCCC(=O)O CNP0076861.0 [0,2,0,0,0,0|0,0,2]=4 577 B21R0.81 CCCCCCCCC=CCCCCCCCCCC(=O)N CNP0454498.0 [0,2,0,0,0,0|1,0,0]=3 578 B21R0.81 CCCCCCCCC=CCCCCCCCCCC(=O)O CNP0264631.0 [0,2,0,0,0,0|0,0,0]=2 579 B21R0.81 CCCCCCCCC=CCCCCCCCCOC(=O)C CNP0282097.0 [0,2,0,0,0,0|1,0,1]=4 580 B21R0.81 CCCCCCCCCC=CCCCCCCCCC(=O)O CNP0280057.0 [0,2,0,0,0,0|0,0,0]=2 581 B21R0.81 CCCCCCCCCCC=CCC=CCCCCC(=O)O CNP0379231.0 [0,2,0,0,0,0|0,0,2]=4 582 B21R0.81 CCCCCCCCCCC=CCCC=CCCCC(=O)O CNP0045938.0 [0,2,0,0,0,0|0,0,2]=4 583 B21R0.81 CCCCCCCCCCC=CCCCCCCCC(=O)O CNP0210294.0 [0,2,0,0,0,0|0,0,0]=2 584 B21R0.81 CCCCCCCCCCCC=C=CCCCCCC(=O)O CNP0548705.0 [0,2,0,0,0,0|0,0,1]=3 585 B21R0.81 CCCCCCCCCCCCC=CCC=CCCC(=O)O CNP0433033.0 [0,2,0,0,0,0|0,0,2]=4 586 B21R0.81 CCCCCCCCCCCCC=CCCCCCC(=O)O CNP0537438.0 [0,2,0,0,0,0|0,0,0]=2 587 B21R0.81 CCCCCCCCCCCCCC#CCCCCC(=O)O CNP0135383.0 [0,2,0,0,0,0|0,0,0]=2 588 B21R0.81 CCCCCCCCCCCCCCC=CCCCC(=O)O CNP0343958.0 [0,2,0,0,0,0|0,0,0]=2 589 B21R0.81 CCCCCCCCCCCCCCCC=CC=CC(=O)O CNP0281676.0 [0,2,0,0,0,0|0,0,2]=4 590 B21R0.81 CCCCCCCCCCCCCCCC=CCCC(=O)O CNP0245853.0 [0,2,0,0,0,0|0,0,0]=2 591 B21R0.81 CCCCCCCCCCCCCCCCCC=CC(=O)C CNP0573721.0 [0,2,0,0,0,0|1,0,0]=3 592 B21R0.81 CCCCCCCCCCCCCCCCCC=CC(=O)O CNP0251977.0 [0,2,0,0,0,0|0,0,0]=2 593 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)C CNP0188933.0 [0,2,0,0,0,0|1,0,0]=3 594 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)N CNP0610559.0 [0,2,0,0,0,0|1,0,0]=3 595 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)O CNP0374238.0 [0,2,0,0,0,0|0,0,0]=2 596 B21R0.81 CCCCCCCCCCCCCCCCCCCC(=O)[O-] CNP0606388.0 [0,2,0,0,0,0|0,0,1]=3 597 B21R0.81 CCCCCCCCCCCCCCCCCCOC(=O)C CNP0291523.0 [0,2,0,0,0,0|1,0,0]=3 598 B21R0.9014 CC(=O)OCCCCCCCCCCCCCCCC(=O)O CNP0307129.0 [0,2,0,0,0,0|0,0,1]=3 599 B21R0.9014 CC(C)CCCCCCCCCCCCCCCCC(=O)O CNP0199969.0 [0,2,0,0,0,0|0,0,0]=2 600 B21R0.9014 C[C@H](O)CCCCCCCCCCCCCCCCC(=O)O CNP0220104.1 [0,2,0,0,0,0|0,0,0]=2 601 B21R0.9014 O=C(O)CCCCCCCCCCCCCCCCC(=O)O CNP0277633.0 [0,2,0,0,0,0|0,0,1]=3 602 B21R0.9287 CCCCCCCCC(=O)NCCCCCCCCC(=O)O CNP0363790.0 [0,2,0,0,0,0|0,0,1]=3 603 B21R0.36399 CCCCCCCCCCCCCCCCCOS(=O)(=O)O CNP0018376.0 [0,2,0,0,0,0|1,0,0]=3 604 B19R1.274 CCCCCCCCCCCCC[C@@H]1C=CC(=O)O1 CNP0069369.1 [1,0,0,1,0,0|0,0,2]=4 605 B19R1.274 CCCCCCCCCCCCC[C@H]1C=CC(=O)O1 CNP0069369.2 [1,0,0,1,0,0|0,0,2]=4 606 B19R1.970 CCCCCCCCCCCC[C@H]1CCCC(=O)O1 CNP0146599.1 [1,0,0,1,0,0|0,0,0]=2 607 B19R1.15243 CCCCCCCC[C@H]1C[C@H]1CCCCCC(=O)O CNP0299470.1 [1,0,0,1,0,0|0,0,0]=2 608 B19R1.20739 O=C1CCCCCCCCCCCCCCCCO1 CNP0360910.0 [1,0,0,1,0,0|0,0,0]=2 609 B19R1.25715 O=C(O)CCCCCCCCCCC1CCCCC1 CNP0113927.0 [1,0,0,1,0,0|0,0,0]=2 610 B19R1.25715 O=C(O)CCCCCCCCCC[C@@H]1COCCO1 CNP0363469.2 [1,0,0,1,0,0|2,0,0]=4 611 B19R1.25715 O=C(O)CCCCCCCCCC[C@H]1COCCO1 CNP0363469.1 [1,0,0,1,0,0|2,0,0]=4 612 B19R1.46520 CCCCCCCCCCCCCCCC[C@@H]1CO1 CNP0419266.1 [1,0,0,1,0,0|1,0,1]=4 613 B19R1.46541 CCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O CNP0189402.1 [1,0,0,1,0,0|0,0,0]=2 614 B19R1.277087 O=C(O)CCCCCCCCCC1CCCCCC1 CNP0255328.0 [1,0,0,1,0,0|0,0,0]=2 615 B19R1.282568 CC(=O)OC1CCCCCCCCCCCCCC1 CNP0191446.0 [1,0,0,1,0,0|2,0,0]=4 616 B19R1.46518 CCCCCCCCCCCCC[C@H]1CCN=C1C CNP0300502.1 [1,0,0,1,0,0|2,0,0]=4 617 B19R1.46528 CCCCCCCCC=CCCCCC1CCC1=O CNP0002807.0 [1,0,0,1,0,0|0,0,2]=4 618 B19R1.46528 CCCCCCCCCCCCCCC1CCC1=O CNP0002809.0 [1,0,0,1,0,0|0,0,0]=2 619 B21R1.17805 CCCCC/C=C\C[C@@H]1O[C@@H]1CCCCCCCC(=O)O CNP0251605.1 [0,1,0,1,0,0|0,0,2]=4 620 B21R1.17805 CCCCC/C=C\C[C@H]1O[C@@H]1CCCCCCCC(=O)O CNP0251605.2 [0,1,0,1,0,0|0,0,2]=4 621 B21R1.17805 CCCCC/C=C\C[C@H]1O[C@H]1CCCCCCCC(=O)O CNP0251605.3 [0,1,0,1,0,0|0,0,2]=4 622 B21R1.17805 CCCCCC=CC[C@@H]1O[C@@H]1CCCCCCCC(=O)O CNP0251605.4 [0,1,0,1,0,0|0,0,2]=4 623 B21R1.17805 CCCCCCCCC1=C(C1)CCCCCCCC(=O)O CNP0260912.0 [0,1,0,1,0,0|0,0,1]=3 624 B21R1.17805 CCCCCCCC[C@@H]1C[C@H]1CCCCCCCC(=O)O CNP0341204.1 [0,1,0,1,0,0|0,0,0]=2 625 B21R1.17805 CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)O CNP0156973.1 [0,1,0,1,0,0|0,0,0]=2 626 B21R1.17805 CCCCCCCC[C@H]1C[C@@H]1CCCCCCCC(=O)O CNP0341204.2 [0,1,0,1,0,0|0,0,0]=2 627 B21R1.17805 CCCCCCCC[C@H]1C[C@H]1CCCCCCCC(=O)O CNP0341204.3 [0,1,0,1,0,0|0,0,0]=2 628 B21R1.17805 CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(=O)O CNP0156973.3 [0,1,0,1,0,0|0,0,0]=2 629 B21R1.17805 CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)O CNP0156973.2 [0,1,0,1,0,0|0,0,0]=2 630 B21R1.3400 CCCCCCC(=O)CCCCCCC[C@H]1CCC(=O)O1 CNP0103995.1 [0,1,0,1,0,0|0,0,1]=3 631 B21R1.18284 CCCCCC[C@H]1CC[C@H](O1)CCCCCCCC(=O)O CNP0303591.1 [0,1,0,1,0,0|0,0,0]=2 632 B21R1.151939 CCCCC[C@@H]1C(=O)CC[C@@H]1CCCCCCCC(=O)O CNP0138202.1 [0,1,0,1,0,0|0,0,1]=3 633 B21R1.151939 CCCCC[C@H]1C(=O)CC[C@@H]1CCCCCCCC(=O)O CNP0138202.2 [0,1,0,1,0,0|0,0,1]=3 634 B21R1.633376 CCCCC[C@@H]1O[C@@H]1C/C=C\CCCCCCCC(=O)O CNP0161030.1 [0,1,0,1,0,0|0,0,2]=4 635 B21R1.633376 CCCCC[C@@H]1O[C@@H]1CCCCCCCCCCC(=O)O CNP0437409.3 [0,1,0,1,0,0|0,0,0]=2 636 B21R1.633376 CCCCC[C@@H]1O[C@H]1C/C=C\CCCCCCCC(=O)O CNP0161030.6 [0,1,0,1,0,0|0,0,2]=4 637 B21R1.633376 CCCCC[C@@H]1O[C@H]1CCCCCCCCCCC(=O)O CNP0437409.4 [0,1,0,1,0,0|0,0,0]=2 638 B21R1.633376 CCCCC[C@H]1O[C@@H]1C/C=C/CCCCCCCC(=O)O CNP0161030.5 [0,1,0,1,0,0|0,0,2]=4 639 B21R1.633376 CCCCC[C@H]1O[C@@H]1C/C=C\CCCCCCCC(=O)O CNP0161030.4 [0,1,0,1,0,0|0,0,2]=4 640 B21R1.633376 CCCCC[C@H]1O[C@@H]1CCCCCCCCCCC(=O)O CNP0437409.2 [0,1,0,1,0,0|0,0,0]=2 641 B21R1.633376 CCCCC[C@H]1O[C@H]1C/C=C/CCCCCCCC(=O)O CNP0161030.3 [0,1,0,1,0,0|0,0,2]=4 642 B21R1.633376 CCCCC[C@H]1O[C@H]1C/C=C\CCCCCCCC(=O)O CNP0161030.2 [0,1,0,1,0,0|0,0,2]=4 643 B21R1.633376 CCCCC[C@H]1O[C@H]1CCCCCCCCCCC(=O)O CNP0437409.1 [0,1,0,1,0,0|0,0,0]=2 644 B21R1.988145 CCCCCC[C@H]1C[C@@H]1CCCCCCCCCC(=O)O CNP0141986.2 [0,1,0,1,0,0|0,0,0]=2 645 B21R1.988145 CCCCCC[C@H]1C[C@H]1CCCCCCCCCC(=O)O CNP0141986.1 [0,1,0,1,0,0|0,0,0]=2 646 B21R1.6259341 CCCCC[C@@H]1OC(=O)CCCCCCC/C=C\C[C@@H]1O CNP0184215.1 [0,1,0,1,0,0|0,0,2]=4 647 B21R1.2968 CCCCCCCCCCCCCC(=O)[C@@H]1CCC(=O)O1 CNP0293970.1 [0,1,0,1,0,0|0,0,1]=3 648 B21R1.75184 CC[C@@H]1O[C@@H]1CCCCCCCCCCCCCC(=O)O CNP0449823.2 [0,1,0,1,0,0|0,0,0]=2 649 B21R1.75184 CC[C@@H]1O[C@H]1CCCCCCCCCCCCCC(=O)O CNP0449823.3 [0,1,0,1,0,0|0,0,0]=2 650 B21R1.75184 CC[C@H]1O[C@@H]1CCCCCCCCCCCCCC(=O)O CNP0449823.1 [0,1,0,1,0,0|0,0,0]=2 651 B21R1.75184 CC[C@H]1O[C@H]1CCCCCCCCCCCCCC(=O)O CNP0449823.4 [0,1,0,1,0,0|0,0,0]=2 652 B21R1.4459290 O=C(O)C[C@H](O)CCCCCCCCC1CCCCCC1 CNP0284328.1 [0,1,0,1,0,0|0,0,0]=2 653 B21R1.64503 COC(=O)CCCCCCCCCCCCC1CCCC1 CNP0306630.0 [0,1,0,1,0,0|0,0,0]=2 654 B21R1.64503 COC(=O)CCCCCCCCCCCC[C@@H]1C=CCC1 CNP0181795.1 [0,1,0,1,0,0|0,0,2]=4 655 B21R1.77907 CCCCCCCCC1=C(C1)CCCCCCC(=O)OC CNP0227015.0 [0,1,0,1,0,0|0,0,2]=4 656 B21R1.77907 CCCCCCCCC1CC1CCCCCCC(=O)OC CNP0612163.0 [0,1,0,1,0,0|0,0,0]=2 657 B21R1.301839 O=C1CCCCCCCC=CCCCCCCCCCO1 CNP0085772.0 [0,1,0,1,0,0|0,0,1]=3 658 B21R1.3400975 O=C(O)[C@@H](O)CCCCCCCCCC1CCCCCC1 CNP0405540.1 [0,1,0,1,0,0|0,0,0]=2 659 B21R1.18637 CCCCCCCCCCCC1OC1CCCCC(=O)O CNP0047590.0 [0,1,0,1,0,0|0,0,0]=2 660 B21R1.18637 CCCCCCCCCCC[C@@H]1C[C@H]1CCCCC(=O)O CNP0164489.1 [0,1,0,1,0,0|0,0,0]=2 661 B21R1.35032 O=C(O)CCCCCCCCCCCCC1CCCCC1 CNP0199622.0 [0,1,0,1,0,0|0,0,0]=2 662 B21R1.2957 CCCCCCCC/C=C\[C@H](O)CC[C@@H]1CCCC(=O)O1 CNP0264811.1 [0,1,0,1,0,0|0,0,2]=4 663 B21R1.8455 CCCCC/C=C/[C@@H](O)CCCCCC[C@H]1CCC(=O)O1 CNP0236018.1 [0,1,0,1,0,0|0,0,2]=4 664 B21R2.133685 CCCCCCCCC[C@@H]1CC(=O)[C@@H]2CCCC[C@H]2N1 CNP0455526.1 [0,0,0,2,0,0|2,0,0]=4