0 B15R0.164 C=C(C)CCCCCCCCCCCCC CNP0612174.0 [0,0,0,0,0,0|2,0,0]=2 1 B15R0.164 C=CCCCCCCCCCCOC(=O)C CNP0406625.0 [0,0,0,0,0,0|2,0,2]=4 2 B15R0.164 CC(=O)OCCCCCCCCCCCO CNP0546903.0 [0,0,0,0,0,0|3,0,0]=3 3 B15R0.164 CC=CCCCCCCCCCOC(=O)C CNP0230290.0 [0,0,0,0,0,0|2,0,2]=4 4 B15R0.164 CCC=CCCCCCCCCCC(=O)O CNP0128284.0 [0,0,0,0,0,0|0,0,2]=2 5 B15R0.164 CCC=CCCCCCCCCOC(=O)C CNP0132176.0 [0,0,0,0,0,0|2,0,2]=4 6 B15R0.164 CCCC=CCCCCCCCCC(=O)O CNP0296382.0 [0,0,0,0,0,0|0,0,2]=2 7 B15R0.164 CCCC=CCCCCCCCOC(=O)C CNP0304445.0 [0,0,0,0,0,0|2,0,2]=4 8 B15R0.164 CCCCC#CC#CCCCCCC(=O)O CNP0184713.0 [0,0,0,0,0,0|0,0,4]=4 9 B15R0.164 CCCCC=CCCCCCCCC(=O)O CNP0275417.0 [0,0,0,0,0,0|0,0,2]=2 10 B15R0.164 CCCCC=CCCCCCCOC(=O)C CNP0179053.0 [0,0,0,0,0,0|2,0,2]=4 11 B15R0.164 CCCCCC=CCC=CCCCC(=O)O CNP0252113.0 [0,0,0,0,0,0|0,0,4]=4 12 B15R0.164 CCCCCC=CCCCCCCC(=O)O CNP0610378.0 [0,0,0,0,0,0|0,0,2]=2 13 B15R0.164 CCCCCCC=CCCCCCC(=O)C CNP0220207.0 [0,0,0,0,0,0|1,0,2]=3 14 B15R0.164 CCCCCCC=CCCCCCC(=O)O CNP0217475.0 [0,0,0,0,0,0|0,0,2]=2 15 B15R0.164 CCCCCCC=CCCCCOC(=O)C CNP0212830.0 [0,0,0,0,0,0|2,0,2]=4 16 B15R0.164 CCCCCCCC=CCCCCC(=O)O CNP0592369.0 [0,0,0,0,0,0|0,0,2]=2 17 B15R0.164 CCCCCCCC=CCCCOC(=O)C CNP0503025.0 [0,0,0,0,0,0|2,0,2]=4 18 B15R0.164 CCCCCCCCC#CCCCC(=O)O CNP0087239.0 [0,0,0,0,0,0|0,0,2]=2 19 B15R0.164 CCCCCCCCC=CC=CCC(=O)O CNP0209964.0 [0,0,0,0,0,0|0,0,4]=4 20 B15R0.164 CCCCCCCCC=CCCCC(=O)O CNP0243360.0 [0,0,0,0,0,0|0,0,2]=2 21 B15R0.164 CCCCCCCCC=CCCOC(=O)C CNP0610375.0 [0,0,0,0,0,0|2,0,2]=4 22 B15R0.164 CCCCCCCCCC=CC=CC(=O)O CNP0188922.0 [0,0,0,0,0,0|0,0,4]=4 23 B15R0.164 CCCCCCCCCC=CCCC(=O)O CNP0153002.0 [0,0,0,0,0,0|0,0,2]=2 24 B15R0.164 CCCCCCCCCCC=CCC(=O)O CNP0286494.0 [0,0,0,0,0,0|0,0,2]=2 25 B15R0.164 CCCCCCCCCCC=COC(=O)C CNP0375176.0 [0,0,0,0,0,0|2,0,2]=4 26 B15R0.164 CCCCCCCCCCCC=CC(=O)O CNP0189070.0 [0,0,0,0,0,0|0,0,2]=2 27 B15R0.164 CCCCCCCCCCCCCC(=O)C CNP0264327.0 [0,0,0,0,0,0|1,0,0]=1 28 B15R0.164 CCCCCCCCCCCCCC(=O)Cl CNP0358595.0 [0,0,0,0,0,0|1,0,0]=1 29 B15R0.164 CCCCCCCCCCCCCC(=O)N CNP0178369.0 [0,0,0,0,0,0|1,0,0]=1 30 B15R0.164 CCCCCCCCCCCCCC(=O)O CNP0262703.0 [0,0,0,0,0,0|0,0,0]=0 31 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0499274.0 [0,0,0,0,0,0|0,0,1]=1 32 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0523059.0 [0,0,0,0,0,0|0,0,1]=1 33 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0564358.0 [0,0,0,0,0,0|0,0,1]=1 34 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0571835.0 [0,0,0,0,0,0|0,0,1]=1 35 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0572021.0 [0,0,0,0,0,0|0,0,1]=1 36 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0601618.0 [0,0,0,0,0,0|0,0,1]=1 37 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0606714.0 [0,0,0,0,0,0|0,0,1]=1 38 B15R0.164 CCCCCCCCCCCCCC(C)C CNP0173042.0 [0,0,0,0,0,0|2,0,1]=3 39 B15R0.164 CCCCCCCCCCCCC[C@@H](C)O CNP0286674.1 [0,0,0,0,0,0|1,0,1]=2 40 B15R0.164 CCCCCCCCCCCCC[C@H](C)O CNP0286674.2 [0,0,0,0,0,0|1,0,1]=2 41 B15R0.164 CCCCCCCCCCCCOC(=O)C CNP0114177.0 [0,0,0,0,0,0|2,0,0]=2 42 B15R0.164 CCCCCCCCCCCCOC(C)C CNP0155066.0 [0,0,0,0,0,0|3,0,1]=4 43 B15R0.164 CCCOCCCCCCCCCC(=O)O CNP0135214.0 [0,0,0,0,0,0|1,0,0]=1 44 B15R0.164 O=C(O)CCCCCCCCCCCCO CNP0104071.0 [0,0,0,0,0,0|1,0,0]=1 45 B15R0.164 O=CCCCCCCCCCCCC(=O)O CNP0017740.0 [0,0,0,0,0,0|1,0,1]=2 46 B14R0.392 C#CCCCCCCCCCCCCC CNP0076909.0 [1,0,0,0,0,0|1,0,1]=3 47 B14R0.392 C=CC=CCCCCCCCCCCC CNP0497045.0 [1,0,0,0,0,0|1,0,2]=4 48 B14R0.392 C=CCCCC=CCCCCCCCC CNP0286885.0 [1,0,0,0,0,0|1,0,2]=4 49 B14R0.392 C=CCCCCCC=CCCCCCC CNP0273619.0 [1,0,0,0,0,0|1,0,2]=4 50 B14R0.392 C=CCCCCCCCCCCCC=O CNP0321421.0 [1,0,0,0,0,0|0,0,2]=3 51 B14R0.392 C=CCCCCCCCCCCCCC CNP0103453.0 [1,0,0,0,0,0|1,0,0]=2 52 B14R0.392 CC=CCCCCCCCCCCCC CNP0134200.0 [1,0,0,0,0,0|1,0,1]=3 53 B14R0.392 CC=CCCCCCCCCCCCO CNP0292605.0 [1,0,0,0,0,0|0,0,3]=4 54 B14R0.392 CCC#CCCCCCCCCCCO CNP0520588.0 [1,0,0,0,0,0|0,0,3]=4 55 B14R0.392 CCC=CCCCCCCCCCC=O CNP0381172.0 [1,0,0,0,0,0|0,0,2]=3 56 B14R0.392 CCC=CCCCCCCCCCCO CNP0175758.0 [1,0,0,0,0,0|0,0,3]=4 57 B14R0.392 CCC=CCCCCCCCCOC=O CNP0311687.0 [1,0,0,0,0,0|1,0,2]=4 58 B14R0.392 CCCC=CCCCCCCCCCO CNP0246964.0 [1,0,0,0,0,0|0,0,3]=4 59 B14R0.392 CCCCC=CCCCCCCCC=O CNP0270269.0 [1,0,0,0,0,0|0,0,2]=3 60 B14R0.392 CCCCC=CCCCCCCCCO CNP0209176.0 [1,0,0,0,0,0|0,0,3]=4 61 B14R0.392 CCCCCC=CCCCCCCCO CNP0168751.0 [1,0,0,0,0,0|0,0,3]=4 62 B14R0.392 CCCCCCC=CCCCCCC=O CNP0173800.0 [1,0,0,0,0,0|0,0,2]=3 63 B14R0.392 CCCCCCC=CCCCCCCO CNP0276887.0 [1,0,0,0,0,0|0,0,3]=4 64 B14R0.392 CCCCCCCC=CCCCCCO CNP0239348.0 [1,0,0,0,0,0|0,0,3]=4 65 B14R0.392 CCCCCCCCC=CCCCC=O CNP0381300.0 [1,0,0,0,0,0|0,0,2]=3 66 B14R0.392 CCCCCCCCC=CCCCCO CNP0222511.0 [1,0,0,0,0,0|0,0,3]=4 67 B14R0.392 CCCCCCCCCCC#CCCO CNP0573718.0 [1,0,0,0,0,0|0,0,3]=4 68 B14R0.392 CCCCCCCCCCC=CCCO CNP0306792.0 [1,0,0,0,0,0|0,0,3]=4 69 B14R0.392 CCCCCCCCCCCC=CC=O CNP0054792.0 [1,0,0,0,0,0|0,0,2]=3 70 B14R0.392 CCCCCCCCCCCC=CCO CNP0358958.0 [1,0,0,0,0,0|0,0,3]=4 71 B14R0.392 CCCCCCCCCCCCC#CO CNP0075343.0 [1,0,0,0,0,0|0,0,2]=3 72 B14R0.392 CCCCCCCCCCCCCC#N CNP0173573.0 [1,0,0,0,0,0|1,0,1]=3 73 B14R0.392 CCCCCCCCCCCCCC=O CNP0200880.0 [1,0,0,0,0,0|0,0,0]=1 74 B14R0.392 CCCCCCCCCCCCCCC CNP0314547.0 [1,0,0,0,0,0|1,0,1]=3 75 B14R0.392 CCCCCCCCCCCCCCCl CNP0509321.0 [1,0,0,0,0,0|1,0,1]=3 76 B14R0.392 CCCCCCCCCCCCCCI CNP0576364.0 [1,0,0,0,0,0|1,0,1]=3 77 B14R0.392 CCCCCCCCCCCCCCN CNP0079841.0 [1,0,0,0,0,0|1,0,1]=3 78 B14R0.392 CCCCCCCCCCCCCCO CNP0209818.0 [1,0,0,0,0,0|0,0,1]=2 79 B14R0.392 CCCCCCCCCCCCCC[11CH3] CNP0480041.0 [1,0,0,0,0,0|1,0,1]=3 80 B14R0.392 CCCCCCCCOCCCCCC CNP0511916.0 [1,0,0,0,0,0|2,0,1]=4 81 B14R0.392 O=CCCCCCCCCCCCC=O CNP0157180.0 [1,0,0,0,0,0|1,0,1]=3 82 B14R0.392 OCCCCCCCCCCCCCO CNP0197941.0 [1,0,0,0,0,0|1,0,1]=3 83 B14R0.394 C#CCCCCCCCCCCC(=O)C CNP0503056.0 [1,0,0,0,0,0|1,0,2]=4 84 B14R0.394 CCCCCC=CCCCCCC(=O)O CNP0547535.0 [1,0,0,0,0,0|0,0,2]=3 85 B14R0.394 CCCCCCC=CCCCCC(=O)C CNP0245771.0 [1,0,0,0,0,0|1,0,2]=4 86 B14R0.394 CCCCCCCCCCC=CC(=O)O CNP0334789.0 [1,0,0,0,0,0|0,0,2]=3 87 B14R0.394 CCCCCCCCCCCCC(=O)C CNP0420877.0 [1,0,0,0,0,0|1,0,0]=2 88 B14R0.394 CCCCCCCCCCCCC(=O)N CNP0216559.0 [1,0,0,0,0,0|1,0,0]=2 89 B14R0.394 CCCCCCCCCCCCC(=O)O CNP0145185.0 [1,0,0,0,0,0|0,0,0]=1 90 B14R0.394 CCCCCCCCCCCCC(C)C CNP0391491.0 [1,0,0,0,0,0|2,0,1]=4 91 B14R0.394 CCCCCCCCCCCCC(C)O CNP0214390.0 [1,0,0,0,0,0|1,0,1]=3 92 B14R0.394 CCCCCCCCCCCCN(C)C CNP0476829.0 [1,0,0,0,0,0|3,0,0]=4 93 B14R0.394 CCCCCCCCCCCOC(=O)C CNP0260334.0 [1,0,0,0,0,0|2,0,0]=3 94 B14R0.394 NCCCCCCCCCCCC(=O)O CNP0125044.0 [1,0,0,0,0,0|1,0,0]=2 95 B14R0.394 O=C(O)CCCCCCCC=CCCO CNP0178804.0 [1,0,0,0,0,0|1,0,2]=4 96 B14R0.394 O=C(O)CCCCCCCCCCCBr CNP0057228.0 [1,0,0,0,0,0|1,0,0]=2 97 B14R0.394 O=C(O)CCCCCCCCCCCO CNP0273728.0 [1,0,0,0,0,0|1,0,0]=2 98 B14R0.394 [2H]CCCCCCCCCCCC(=O)O CNP0602095.0 [1,0,0,0,0,0|1,0,0]=2 99 B16R0.41 CCC[C@H](C)CCCCCCCCCC(=O)O CNP0018298.1 [0,1,0,0,0,0|0,0,0]=1 100 B16R0.41 CCC[C@H](O)CCCCCCCCCC(=O)O CNP0244528.1 [0,1,0,0,0,0|0,0,0]=1 101 B16R0.114 CCCCCCCC(=O)CCCCCC(=O)O CNP0531578.0 [0,1,0,0,0,0|0,0,1]=2 102 B16R0.114 CCCCCCCC(O)CCCCCC(=O)O CNP0296318.0 [0,1,0,0,0,0|0,0,0]=1 103 B16R0.114 CCCCCCC[C@H](O)C/C=C/CCC(=O)O CNP0153280.1 [0,1,0,0,0,0|0,0,2]=3 104 B16R0.131 CCCCC(O)CCCCCCCCC(=O)O CNP0106804.0 [0,1,0,0,0,0|0,0,0]=1 105 B16R0.165 CCC(C)CCCC=CCCCCCC(=O)C CNP0353161.0 [0,1,0,0,0,0|1,0,2]=4 106 B16R0.165 CCC(C)CCCCCCC=CCCC(=O)O CNP0219477.0 [0,1,0,0,0,0|0,0,2]=3 107 B16R0.165 CC[C@@H](C)CCCCCCCCCCC(=O)O CNP0162278.2 [0,1,0,0,0,0|0,0,0]=1 108 B16R0.165 CC[C@@H](C)CCCCCCCCCOC(=O)C CNP0202773.1 [0,1,0,0,0,0|2,0,0]=3 109 B16R0.165 CC[C@H](C)CCCCCCCCCCC(=O)O CNP0162278.1 [0,1,0,0,0,0|0,0,0]=1 110 B16R0.165 CC[C@H](C)CCCCCCCCCOC(=O)C CNP0202773.2 [0,1,0,0,0,0|2,0,0]=3 111 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O CNP0162114.0 [0,1,0,0,0,0|1,0,1]=3 112 B16R0.177 CCCCC=CC(C)CCCCCCC(=O)O CNP0333080.0 [0,1,0,0,0,0|0,0,2]=3 113 B16R0.221 C=CC(=O)OCCCCCCCCCCCC CNP0018126.0 [0,1,0,0,0,0|2,0,0]=3 114 B16R0.221 C=CCCCCCCCCCCCC(=O)C=C CNP0155328.0 [0,1,0,0,0,0|1,0,2]=4 115 B16R0.221 CCC=C=CCCCCCCCCC(=O)OC CNP0533247.0 [0,1,0,0,0,0|0,0,3]=4 116 B16R0.221 CCCCC=CCCCCCCCC(=O)OC CNP0150160.0 [0,1,0,0,0,0|0,0,2]=3 117 B16R0.221 CCCCCCCCCC=CCCC(=O)OC CNP0195665.0 [0,1,0,0,0,0|0,0,2]=3 118 B16R0.221 CCCCCCCCCCCC=CC(=O)OC CNP0295487.0 [0,1,0,0,0,0|0,0,2]=3 119 B16R0.221 CCCCCCCCCCCCC=C(Cl)C=O CNP0233432.0 [0,1,0,0,0,0|1,0,1]=3 120 B16R0.221 CCCCCCCCCCCCCC(=O)CC CNP0113176.0 [0,1,0,0,0,0|1,0,0]=2 121 B16R0.221 CCCCCCCCCCCCCC(=O)NN CNP0308205.0 [0,1,0,0,0,0|1,0,0]=2 122 B16R0.221 CCCCCCCCCCCCCC(=O)OC CNP0250171.0 [0,1,0,0,0,0|0,0,0]=1 123 B16R0.221 CCCCCCCCCCCCC[C@H](C)CC CNP0266860.1 [0,1,0,0,0,0|2,0,1]=4 124 B16R0.221 CCCCCCCCCCCCC[C@H](C)CO CNP0371129.1 [0,1,0,0,0,0|1,0,1]=3 125 B16R0.221 CCCCCCCCCCCCOC(=O)CC CNP0245605.0 [0,1,0,0,0,0|2,0,0]=3 126 B16R0.221 COC(=O)CCCCC=CCCCCCCO CNP0196105.0 [0,1,0,0,0,0|1,0,2]=4 127 B16R0.221 COC(=O)CCCCCCCCCCCC=O CNP0018335.0 [0,1,0,0,0,0|1,0,1]=3 128 B16R0.224 CCCCCCCCCCCCC(=O)C(=O)O CNP0589314.0 [0,1,0,0,0,0|0,0,1]=2 129 B16R0.224 CCCCCCCCCCCCC(C)C(=O)C CNP0496216.0 [0,1,0,0,0,0|1,0,0]=2 130 B16R0.224 CCCCCCCCCCCCC(C)C(=O)O CNP0602347.0 [0,1,0,0,0,0|0,0,0]=1 131 B16R0.224 CCCCCCCCCCCC[C@@H](O)C(=O)O CNP0115920.2 [0,1,0,0,0,0|0,0,0]=1 132 B16R0.224 CCCCCCCCCCCC[C@H](O)C(=O)O CNP0115920.1 [0,1,0,0,0,0|0,0,0]=1 133 B16R0.274 C=CCCCCCCCCCCCCC(=O)O CNP0603181.0 [0,1,0,0,0,0|0,0,1]=2 134 B16R0.274 CC(=O)CCCCCCCCCCCCCS CNP0302286.0 [0,1,0,0,0,0|1,0,0]=2 135 B16R0.274 CC(C)CCCCCCCCCCCCCO CNP0105559.0 [0,1,0,0,0,0|2,0,1]=4 136 B16R0.274 CC=CCCCCCCCCCCOC(=O)C CNP0169833.0 [0,1,0,0,0,0|1,0,2]=4 137 B16R0.274 CCC=CCCCCCCCCCOC(=O)C CNP0121501.0 [0,1,0,0,0,0|1,0,2]=4 138 B16R0.274 CCCC=CCCCCCCCCCC(=O)C CNP0353158.0 [0,1,0,0,0,0|1,0,1]=3 139 B16R0.274 CCCCC#CCC#CCCCCCC(=O)O CNP0165671.0 [0,1,0,0,0,0|0,0,3]=4 140 B16R0.274 CCCCC=CCCCC=CCCCC(=O)O CNP0199520.0 [0,1,0,0,0,0|0,0,3]=4 141 B16R0.274 CCCCC=CCCCCCCCCC(=O)O CNP0380914.0 [0,1,0,0,0,0|0,0,1]=2 142 B16R0.274 CCCCC=CCCCCCCCOC(=O)C CNP0226940.0 [0,1,0,0,0,0|1,0,2]=4 143 B16R0.274 CCCCCC=CCCCCCCCC(=O)C CNP0353143.0 [0,1,0,0,0,0|1,0,1]=3 144 B16R0.274 CCCCCC=CCCCCCCCC(=O)O CNP0117637.0 [0,1,0,0,0,0|0,0,1]=2 145 B16R0.274 CCCCCCC=CCC#CCCCC(=O)O CNP0389780.0 [0,1,0,0,0,0|0,0,3]=4 146 B16R0.274 CCCCCCCC=CCCCCCC(=O)C CNP0147970.0 [0,1,0,0,0,0|1,0,1]=3 147 B16R0.274 CCCCCCCC=CCCCCCC(=O)O CNP0126394.0 [0,1,0,0,0,0|0,0,1]=2 148 B16R0.274 CCCCCCCCC=CCCCCC(=O)O CNP0402096.0 [0,1,0,0,0,0|0,0,1]=2 149 B16R0.274 CCCCCCCCC=CCCCOC(=O)C CNP0231014.0 [0,1,0,0,0,0|1,0,2]=4 150 B16R0.274 CCCCCCCCCC=CCCCC(=O)O CNP0129624.0 [0,1,0,0,0,0|0,0,1]=2 151 B16R0.274 CCCCCCCCCCC=CC=CC(=O)O CNP0003419.0 [0,1,0,0,0,0|0,0,3]=4 152 B16R0.274 CCCCCCCCCCC=CCCC(=O)O CNP0133125.0 [0,1,0,0,0,0|0,0,1]=2 153 B16R0.274 CCCCCCCCCCCCC=CC(=O)O CNP0134714.0 [0,1,0,0,0,0|0,0,1]=2 154 B16R0.274 CCCCCCCCCCCCCC=C(C)C CNP0309089.0 [0,1,0,0,0,0|2,0,0]=3 155 B16R0.274 CCCCCCCCCCCCCCC(=O)C CNP0199817.0 [0,1,0,0,0,0|1,0,0]=2 156 B16R0.274 CCCCCCCCCCCCCCC(=O)N CNP0205548.0 [0,1,0,0,0,0|1,0,0]=2 157 B16R0.274 CCCCCCCCCCCCCCC(=O)O CNP0296248.0 [0,1,0,0,0,0|0,0,0]=1 158 B16R0.274 CCCCCCCCCCCCCCC(=O)S CNP0085720.0 [0,1,0,0,0,0|0,1,0]=2 159 B16R0.274 CCCCCCCCCCCCCCC(C)C CNP0256136.0 [0,1,0,0,0,0|2,0,1]=4 160 B16R0.274 CCCCCCCCCCCCCCN(C)C CNP0466864.0 [0,1,0,0,0,0|3,0,0]=4 161 B16R0.274 CCCCCCCCCCCCCC[C@@H](C)O CNP0254880.2 [0,1,0,0,0,0|1,0,1]=3 162 B16R0.274 CCCCCCCCCCCCCC[C@H](C)O CNP0254880.1 [0,1,0,0,0,0|1,0,1]=3 163 B16R0.274 CCCCCCCCCCCCCNC(=O)C CNP0572123.0 [0,1,0,0,0,0|1,0,0]=2 164 B16R0.274 CCCCCCCCCCCCCOC(=O)C CNP0609112.0 [0,1,0,0,0,0|1,0,0]=2 165 B16R0.274 CCCCCCCCCCCCNCC(C)C CNP0078582.0 [0,1,0,0,0,0|2,0,1]=4 166 B16R0.274 NCCCCCCCCCCCCCC(=O)O CNP0222186.0 [0,1,0,0,0,0|0,0,0]=1 167 B16R0.274 O=C(O)CCCCCCCCCC=CCCO CNP0264070.0 [0,1,0,0,0,0|0,0,2]=3 168 B16R0.274 O=C(O)CCCCCCCCCCCCCO CNP0138691.0 [0,1,0,0,0,0|0,0,0]=1 169 B16R0.297 C=C(C=CCCCCCCC)CCCC(=O)O CNP0517778.0 [0,1,0,0,0,0|0,0,3]=4 170 B16R0.297 CCCCCCCCCC(=CCCC(=O)O)C CNP0103835.0 [0,1,0,0,0,0|0,0,2]=3 171 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)O CNP0069770.0 [0,1,0,0,0,0|0,0,1]=2 172 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O CNP0114637.1 [0,1,0,0,0,0|0,0,0]=1 173 B16R0.302 CCCCCCCCCCC[C@H](C)OC(=O)C CNP0269231.1 [0,1,0,0,0,0|2,0,0]=3 174 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)C CNP0427680.1 [0,1,0,0,0,0|1,0,0]=2 175 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)O CNP0114637.2 [0,1,0,0,0,0|0,0,0]=1 176 B16R0.1188 CCCCCCCCCCCCCC(C)(C)S CNP0262577.0 [0,1,0,0,0,0|1,1,1]=4 177 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CNP0020932.0 [0,1,0,0,0,0|2,0,0]=3 178 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CNP0515848.0 [0,1,0,0,0,0|2,0,0]=3 179 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] CNP0485395.0 [0,1,0,0,0,0|2,0,1]=4 180 B16R0.1188 NCCCCCCCCCCCCP(=O)(O)O CNP0481879.0 [0,1,0,0,0,0|2,0,0]=3 181 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)O CNP0241941.0 [0,1,0,0,0,0|0,0,1]=2 182 B16R0.1820 CCCCCCCC[C@H](O)CCCCC(=O)O CNP0378358.1 [0,1,0,0,0,0|0,0,0]=1 183 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)O CNP0135234.0 [0,1,0,0,0,0|1,0,1]=3 184 B16R0.3288 CC(=O)CCCCCC=CCCCCC(C)C CNP0342925.0 [0,1,0,0,0,0|1,0,2]=4 185 B16R0.3288 CC(=O)CCCCCCCC=CCCC(C)C CNP0353145.0 [0,1,0,0,0,0|1,0,2]=4 186 B16R0.3288 CC(C)CCC=CCCCCCCCC(=O)O CNP0018737.0 [0,1,0,0,0,0|0,0,2]=3 187 B16R0.3288 CC(C)CCCCC=CCCCCCC(=O)O CNP0017541.0 [0,1,0,0,0,0|0,0,2]=3 188 B16R0.3288 CC(C)CCCCCCCC=CCCC(=O)O CNP0018516.0 [0,1,0,0,0,0|0,0,2]=3 189 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)N CNP0072512.0 [0,1,0,0,0,0|1,0,0]=2 190 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O CNP0240509.0 [0,1,0,0,0,0|0,0,0]=1 191 B16R0.3288 CC(O)CCCCCCCCCCCC(=O)O CNP0081935.0 [0,1,0,0,0,0|0,0,0]=1 192 B16R0.3288 O=C(O)CCCCCCCCCCCC(=O)O CNP0346637.0 [0,1,0,0,0,0|1,0,1]=3 193 B16R0.3288 O=C(O)CCCCCCCCCCOC(=O)S CNP0567309.0 [0,1,0,0,0,0|2,0,1]=4 194 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 CNP0142097.0 [0,0,0,1,0,0|0,0,0]=1 195 B16R1.27 CCCCCCCCC[C@@H]1CC=CC(=O)O1 CNP0272113.1 [0,0,0,1,0,0|0,0,2]=3 196 B16R1.27 CCCCCCCCC[C@@H]1CCC[C@@H](N1)C CNP0301537.1 [0,0,0,1,0,0|2,0,1]=4 197 B16R1.642 CCCCCCCC/C=C\[C@H]1CCC(=O)O1 CNP0271665.1 [0,0,0,1,0,0|0,0,2]=3 198 B16R1.642 CCCCCCCCCC[C@@H]1CCC(=O)O1 CNP0302354.1 [0,0,0,1,0,0|0,0,0]=1 199 B16R1.1275 O=C(O)CCCCCCCC[C@@H]1C=CCC1 CNP0355956.2 [0,0,0,1,0,0|0,0,2]=3 200 B16R1.1275 O=C(O)CCCCCCCC[C@H]1C=CCC1 CNP0355956.1 [0,0,0,1,0,0|0,0,2]=3 201 B16R1.8780 CC1CCCCCCCCCCCC(=O)C1 CNP0086318.0 [0,0,0,1,0,0|1,0,0]=2 202 B16R1.8780 C[C@@H]1CCCCCC/C=C\CCCC(=O)O1 CNP0158821.1 [0,0,0,1,0,0|0,0,2]=3 203 B16R1.8780 C[C@H]1CCCCCC/C=C\CCCC(=O)O1 CNP0158821.2 [0,0,0,1,0,0|0,0,2]=3 204 B16R1.8780 C[C@H]1CCCCCCCCCCCC(=O)O1 CNP0261950.1 [0,0,0,1,0,0|0,0,0]=1 205 B16R1.8816 O=C1CCCC=CCCCCCCCCC1 CNP0316245.0 [0,0,0,1,0,0|1,0,2]=4 206 B16R1.8816 O=C1CCCC=CCCCCCCCCO1 CNP0260386.0 [0,0,0,1,0,0|0,0,2]=3 207 B16R1.8816 O=C1CCCCCCCCCCCCCC1 CNP0222423.0 [0,0,0,1,0,0|1,0,0]=2 208 B16R1.8816 O=C1CCCCCCCCCCCCCO1 CNP0160622.0 [0,0,0,1,0,0|0,0,0]=1 209 B16R1.8816 O=C1CCCCCCCCCCOCCO1 CNP0127605.0 [0,0,0,1,0,0|1,0,0]=2 210 B16R1.8816 OC1CCCCCCCCCCCCCC1 CNP0139630.0 [0,0,0,1,0,0|1,0,1]=3 211 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 CNP0299537.0 [0,0,0,1,0,0|1,0,0]=2 212 B13R0.336 C#CCCCCCCCCCCCC CNP0579427.0 [2,0,0,0,0,0|0,0,2]=4 213 B13R0.336 C=CCCCCCCCCCCCC CNP0137398.0 [2,0,0,0,0,0|0,0,1]=3 214 B13R0.336 C=CCNCCCCCCCCCC CNP0522683.0 [2,0,0,0,0,0|1,0,1]=4 215 B13R0.336 CC=CCCCCCCCCCCC CNP0269313.0 [2,0,0,0,0,0|1,0,1]=4 216 B13R0.336 CC=CCCCCCCCCCCO CNP0151348.0 [2,0,0,0,0,0|0,0,2]=4 217 B13R0.336 CCC=CCCCCCCCCCO CNP0173162.0 [2,0,0,0,0,0|0,0,2]=4 218 B13R0.336 CCCCC=CCCCCCCCO CNP0171301.0 [2,0,0,0,0,0|0,0,2]=4 219 B13R0.336 CCCCCCCCC=CCCC=O CNP0003281.0 [2,0,0,0,0,0|0,0,2]=4 220 B13R0.336 CCCCCCCCC=CCCCO CNP0351626.0 [2,0,0,0,0,0|0,0,2]=4 221 B13R0.336 CCCCCCCCCCC=CC=O CNP0146353.0 [2,0,0,0,0,0|0,0,2]=4 222 B13R0.336 CCCCCCCCCCC=CCO CNP0096544.0 [2,0,0,0,0,0|0,0,2]=4 223 B13R0.336 CCCCCCCCCCCC=CO CNP0586715.0 [2,0,0,0,0,0|0,0,1]=3 224 B13R0.336 CCCCCCCCCCCC=NO CNP0018714.0 [2,0,0,0,0,0|1,0,1]=4 225 B13R0.336 CCCCCCCCCCCCC#N CNP0226803.0 [2,0,0,0,0,0|1,0,1]=4 226 B13R0.336 CCCCCCCCCCCCC=O CNP0222214.0 [2,0,0,0,0,0|0,0,0]=2 227 B13R0.336 CCCCCCCCCCCCCC CNP0293304.0 [2,0,0,0,0,0|0,0,1]=3 228 B13R0.336 CCCCCCCCCCCCCI CNP0486092.0 [2,0,0,0,0,0|1,0,0]=3 229 B13R0.336 CCCCCCCCCCCCCN CNP0561220.0 [2,0,0,0,0,0|1,0,0]=3 230 B13R0.336 CCCCCCCCCCCCCO CNP0139347.0 [2,0,0,0,0,0|0,0,0]=2 231 B13R0.336 CCCCCCCCCCCOC=O CNP0085671.0 [2,0,0,0,0,0|1,0,0]=3 232 B13R0.336 OCCCCCCCCCCCCBr CNP0591539.0 [2,0,0,0,0,0|1,0,0]=3 233 B13R0.336 OCCCCCCCCCCCCO CNP0172707.0 [2,0,0,0,0,0|1,0,0]=3 234 B13R0.54 C=C(C)CCCCCCCCCCC CNP0076867.0 [2,0,0,0,0,0|2,0,0]=4 235 B13R0.54 C=CCCCCCCCCCC(=O)O CNP0172494.0 [2,0,0,0,0,0|0,0,2]=4 236 B13R0.54 CCC=CCCCCCCCC(=O)O CNP0316183.0 [2,0,0,0,0,0|0,0,2]=4 237 B13R0.54 CCCC=CCCCCCCC(=O)O CNP0213131.0 [2,0,0,0,0,0|0,0,2]=4 238 B13R0.54 CCCCC=CCCCCCC(=O)O CNP0155826.0 [2,0,0,0,0,0|0,0,2]=4 239 B13R0.54 CCCCCC=CCCCCC(=O)O CNP0611346.0 [2,0,0,0,0,0|0,0,2]=4 240 B13R0.54 CCCCCCC=CCCCC(=O)O CNP0163257.0 [2,0,0,0,0,0|0,0,2]=4 241 B13R0.54 CCCCCCCC=CCCC(=O)O CNP0181626.0 [2,0,0,0,0,0|0,0,2]=4 242 B13R0.54 CCCCCCCCC=CCC(=O)O CNP0579851.0 [2,0,0,0,0,0|0,0,2]=4 243 B13R0.54 CCCCCCCCCC=CC(=O)O CNP0126369.0 [2,0,0,0,0,0|0,0,2]=4 244 B13R0.54 CCCCCCCCCCCC(=O)C CNP0221288.0 [2,0,0,0,0,0|1,0,0]=3 245 B13R0.54 CCCCCCCCCCCC(=O)N CNP0127821.0 [2,0,0,0,0,0|1,0,0]=3 246 B13R0.54 CCCCCCCCCCCC(=O)O CNP0303017.0 [2,0,0,0,0,0|0,0,0]=2 247 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0514502.0 [2,0,0,0,0,0|0,0,1]=3 248 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526629.0 [2,0,0,0,0,0|0,0,1]=3 249 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526943.0 [2,0,0,0,0,0|0,0,1]=3 250 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0575486.0 [2,0,0,0,0,0|0,0,1]=3 251 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0604542.0 [2,0,0,0,0,0|0,0,1]=3 252 B13R0.54 CCCCCCCCCCC[C@@H](C)O CNP0149423.2 [2,0,0,0,0,0|1,0,1]=4 253 B13R0.54 CCCCCCCCCCC[C@H](C)O CNP0149423.1 [2,0,0,0,0,0|1,0,1]=4 254 B13R0.54 CCCCCCCCCCOC(=O)C CNP0190607.0 [2,0,0,0,0,0|2,0,0]=4 255 B13R0.54 CCCCCCCCCCOC(=O)S CNP0481026.0 [2,0,0,0,0,0|1,1,0]=4 256 B13R0.54 CCCCCCCCSCCC(=O)O CNP0574442.0 [2,0,0,0,0,0|1,0,0]=3 257 B13R0.54 O=C(O)CCCCCCCCCCBr CNP0033746.0 [2,0,0,0,0,0|1,0,0]=3 258 B13R0.54 O=C(O)CCCCCCCCCCS CNP0586086.0 [2,0,0,0,0,0|1,0,0]=3 259 B13R0.54 O=CCCCCCCCCCC(=O)O CNP0102682.0 [2,0,0,0,0,0|1,0,1]=4 260 B13R0.54 [2H]C(=C)CCCCCCCCCCC CNP0557104.0 [2,0,0,0,0,0|2,0,0]=4 261 B15R0.70 BrCCCCCCCCCCCCCCBr CNP0564678.0 [1,1,0,0,0,0|1,0,1]=4 262 B15R0.70 C#CCCCCCCCCCCCCCC CNP0096283.0 [1,1,0,0,0,0|1,0,1]=4 263 B15R0.70 C=CCCCCCCCCCCCCC=C CNP0600490.0 [1,1,0,0,0,0|1,0,1]=4 264 B15R0.70 C=CCCCCCCCCCCCCCC CNP0322122.0 [1,1,0,0,0,0|1,0,0]=3 265 B15R0.70 CC=CCCCCCCCCCCCCC CNP0136962.0 [1,1,0,0,0,0|1,0,0]=3 266 B15R0.70 CCC=CCCCCCCCCCCCC CNP0086114.0 [1,1,0,0,0,0|1,0,1]=4 267 B15R0.70 CCCC=CCCCCCCCCCC=O CNP0609859.0 [1,1,0,0,0,0|0,0,1]=3 268 B15R0.70 CCCC=CCCCCCCCCCCO CNP0086283.0 [1,1,0,0,0,0|0,0,2]=4 269 B15R0.70 CCCCC=CCCCCCCCCCO CNP0272090.0 [1,1,0,0,0,0|0,0,2]=4 270 B15R0.70 CCCCCC=CCCCCCCCCO CNP0264324.0 [1,1,0,0,0,0|0,0,2]=4 271 B15R0.70 CCCCCCCC=CCCCCCC=O CNP0281465.0 [1,1,0,0,0,0|0,0,1]=3 272 B15R0.70 CCCCCCCCCCCC=CCC=O CNP0103318.0 [1,1,0,0,0,0|0,0,1]=3 273 B15R0.70 CCCCCCCCCCCCC#CCO CNP0086208.0 [1,1,0,0,0,0|0,0,2]=4 274 B15R0.70 CCCCCCCCCCCCC=CC=O CNP0610784.0 [1,1,0,0,0,0|0,0,1]=3 275 B15R0.70 CCCCCCCCCCCCC=COC CNP0603784.0 [1,1,0,0,0,0|0,0,1]=3 276 B15R0.70 CCCCCCCCCCCCCC#CO CNP0526632.0 [1,1,0,0,0,0|0,0,1]=3 277 B15R0.70 CCCCCCCCCCCCCCC#N CNP0071942.0 [1,1,0,0,0,0|1,0,1]=4 278 B15R0.70 CCCCCCCCCCCCCCC=O CNP0331942.0 [1,1,0,0,0,0|0,0,0]=2 279 B15R0.70 CCCCCCCCCCCCCCCC CNP0250856.0 [1,1,0,0,0,0|1,0,1]=4 280 B15R0.70 CCCCCCCCCCCCCCCN CNP0430437.0 [1,1,0,0,0,0|1,0,1]=4 281 B15R0.70 CCCCCCCCCCCCCCCO CNP0150941.0 [1,1,0,0,0,0|0,0,1]=3 282 B15R0.70 OCCCCCCCCCCCCCCO CNP0086028.0 [1,1,0,0,0,0|0,0,1]=3 283 B15R0.70 [CH2]CCCCCCCCCCCCCCC CNP0541899.0 [1,1,0,0,0,0|1,0,1]=4 284 B15R0.81 CCCCCCCCCCCC[C@@H](C)CC CNP0322318.2 [1,1,0,0,0,0|1,0,1]=4 285 B15R0.81 CCCCCCCCCCCC[C@H](Br)CBr CNP0107528.1 [1,1,0,0,0,0|1,0,1]=4 286 B15R0.81 CCCCCCCCCCCC[C@H](C)CC CNP0322318.1 [1,1,0,0,0,0|1,0,1]=4 287 B15R0.81 CCCCCCCCCCCC[C@H](O)CO CNP0295554.1 [1,1,0,0,0,0|0,0,1]=3 288 B15R0.81 CC[C@H](C)CCCCCCCCCCCN CNP0288451.1 [1,1,0,0,0,0|1,0,1]=4 289 B15R0.81 CC[C@H](C)CCCCCCCCCCCO CNP0193546.1 [1,1,0,0,0,0|0,0,1]=3 290 B15R0.133 CCCCCCCC(O)CCCCCCC CNP0547904.0 [1,1,0,0,0,0|1,0,1]=4 291 B15R0.149 CCCCCCCCC(C)CCCCCC CNP0602836.0 [1,1,0,0,0,0|1,0,1]=4 292 B15R0.366 CCCCCCCCCCCC(=O)CC=O CNP0349328.0 [1,1,0,0,0,0|0,0,1]=3 293 B15R0.366 CCCCCCCCCCCC(=O)CCO CNP0280181.0 [1,1,0,0,0,0|0,0,2]=4 294 B15R0.366 CCCCCCCCCCCC(C)CCC CNP0084820.0 [1,1,0,0,0,0|1,0,1]=4 295 B15R0.366 CCOC(=O)CCCCCCCCCC=O CNP0279106.0 [1,1,0,0,0,0|1,0,1]=4 296 B15R0.2002 CCCCCCCCCC[C@@H](O)CCCO CNP0148861.1 [1,1,0,0,0,0|0,0,1]=3 297 B15R0.2002 CCCCCCCCCC[C@H](C)CCCC CNP0220611.1 [1,1,0,0,0,0|1,0,1]=4 298 B15R0.2002 CCCCCCCCCC[C@H](O)CCCO CNP0148861.2 [1,1,0,0,0,0|0,0,1]=3 299 B15R0.69 CCCCCCCCCCC(C)CC(=O)O CNP0273459.0 [1,1,0,0,0,0|0,0,0]=2 300 B15R0.69 CCCCCCCCCC[C@H](C)OC(=O)C CNP0204455.1 [1,1,0,0,0,0|2,0,0]=4 301 B15R0.69 CCCCCCCCCC[C@H](O)CC(=O)O CNP0272673.1 [1,1,0,0,0,0|0,0,0]=2 302 B15R0.84 CCCCCCCCCCCC(C)C(=O)O CNP0596867.0 [1,1,0,0,0,0|0,0,0]=2 303 B15R0.84 CCCCCCCCCCCC(N)C(=O)O CNP0041447.0 [1,1,0,0,0,0|0,0,0]=2 304 B15R0.84 CCCCCCCCCCC[C@@H](C)C(=O)C CNP0377330.1 [1,1,0,0,0,0|1,0,0]=3 305 B15R0.84 CCCCCCCCCCC[C@@H](O)C(=O)O CNP0340683.1 [1,1,0,0,0,0|0,0,0]=2 306 B15R0.84 CCCCCCCCCSC[C@H](N)C(=O)O CNP0590207.1 [1,1,0,0,0,0|1,0,0]=3 307 B15R0.88 CCCCCCCCCC(=O)NCC(=O)O CNP0004511.0 [1,1,0,0,0,0|1,0,1]=4 308 B15R0.88 CCCCCCCCC[C@H](O)CNC(=O)C CNP0276757.1 [1,1,0,0,0,0|2,0,0]=4 309 B15R0.111 CCCC(C)CCCCCCCCC(=O)O CNP0227243.0 [1,1,0,0,0,0|0,0,0]=2 310 B15R0.193 CCCCCC[C@H](O)CCCCCC(=O)O CNP0170541.1 [1,1,0,0,0,0|0,0,0]=2 311 B15R0.222 CC(=O)OCCCCCCCCCC(=O)O CNP0256330.0 [1,1,0,0,0,0|1,0,1]=4 312 B15R0.222 CC(C)CCCCC=CCCCCC(=O)O CNP0546962.0 [1,1,0,0,0,0|0,0,2]=4 313 B15R0.222 CC(C)CCCCCCCCCCC(=O)O CNP0189217.0 [1,1,0,0,0,0|0,0,0]=2 314 B15R0.222 CC(C)CCCCCCCCCC[C@H](C)O CNP0353141.1 [1,1,0,0,0,0|1,0,1]=4 315 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O CNP0293008.0 [1,1,0,0,0,0|1,0,1]=4 316 B15R0.247 CCC(C)CCCCCCCCCC(=O)C CNP0353149.0 [1,1,0,0,0,0|1,0,0]=3 317 B15R0.247 CC[C@@H](C)CCCCCCCCCC(=O)O CNP0191743.2 [1,1,0,0,0,0|0,0,0]=2 318 B15R0.247 CC[C@@H](O)/C=C/CCCCCCCC(=O)O CNP0151189.1 [1,1,0,0,0,0|0,0,2]=4 319 B15R0.247 CC[C@H](C)CCCCCCCCCC(=O)O CNP0191743.1 [1,1,0,0,0,0|0,0,0]=2 320 B15R0.247 CC[C@H](O)/C=C/CCCCCCCC(=O)O CNP0151189.2 [1,1,0,0,0,0|0,0,2]=4 321 B15R0.247 O=C(O)CCCCCCCCC[C@@H](O)CO CNP0168722.1 [1,1,0,0,0,0|1,0,0]=3 322 B15R0.252 CCCCCCCCCCCCS(=O)(=O)O CNP0533311.0 [1,1,0,0,0,0|1,0,0]=3 323 B15R0.252 O=P(O)(O)CCCCCCCCCCCO CNP0496595.0 [1,1,0,0,0,0|2,0,0]=4 324 B17R0.67 CCC[C@H](O)CCCCCCC[C@H](O)CC(=O)O CNP0147855.1 [0,2,0,0,0,0|0,0,0]=2 325 B17R0.170 CCCC[C@H](C)CCCCCCCCCC(=O)O CNP0168232.1 [0,2,0,0,0,0|0,0,0]=2 326 B17R0.170 CCCC[C@H](N)CCCCCCC/C=C/C(=O)O CNP0152052.1 [0,2,0,0,0,0|0,0,1]=3 327 B17R0.170 CCCC[C@H](O)CCCCCCC/C=C/C(=O)O CNP0255951.1 [0,2,0,0,0,0|0,0,1]=3 328 B17R0.170 CCCC[C@H](O)CCCCCCCCCC(=O)O CNP0243700.1 [0,2,0,0,0,0|0,0,0]=2 329 B17R0.255 CCC[C@@H](C)CCCCC[C@@H](C)CCCC(=O)C CNP0160823.2 [0,2,0,0,0,0|1,0,0]=3 330 B17R0.255 CCC[C@@H](C)CCCCC[C@H](C)CCCC(=O)C CNP0160823.1 [0,2,0,0,0,0|1,0,0]=3 331 B17R0.255 CCC[C@H](C)CCCCC[C@@H](C)CCCC(=O)C CNP0160823.3 [0,2,0,0,0,0|1,0,0]=3 332 B17R0.255 CCC[C@H](C)CCCCC[C@H](C)CCCC(=O)C CNP0160823.4 [0,2,0,0,0,0|1,0,0]=3 333 B17R0.3167 CCC[C@H](O)CCCCCCCCCC(=O)OC CNP0148255.1 [0,2,0,0,0,0|0,0,0]=2 334 B17R0.77 CCCCCCCC(=O)CCCCCC(=O)OC CNP0149264.0 [0,2,0,0,0,0|0,0,1]=3 335 B17R0.77 CCCCCCC[C@H](O)C/C=C/CCC(=O)OC CNP0246637.1 [0,2,0,0,0,0|0,0,2]=4 336 B17R0.465 CCCCCCC[C@@H](C/C=C/CCC(=O)O)OC CNP0212126.1 [0,2,0,0,0,0|0,0,2]=4 337 B17R0.1707 CC(C)CCCCCCCC[C@H](C)CCC(=O)O CNP0208830.1 [0,2,0,0,0,0|0,0,0]=2 338 B17R0.1707 CC(C)CC[C@@H](C)CCCCCCCCC(=O)O CNP0018605.1 [0,2,0,0,0,0|0,0,0]=2 339 B17R0.5801 CCCC[C@H](O)CCCCCCCCC(=O)OC CNP0254834.1 [0,2,0,0,0,0|0,0,0]=2 340 B17R0.256 CCCC(C)CCCCCCCCCCC(=O)O CNP0366576.0 [0,2,0,0,0,0|0,0,0]=2 341 B17R0.256 CCC[C@H](O)CCCCCCCCCCC(=O)O CNP0567163.1 [0,2,0,0,0,0|0,0,0]=2 342 B17R0.1705 CC(C)CCCCCCCCCC[C@@H](O)C(=O)O CNP0573682.1 [0,2,0,0,0,0|0,0,0]=2 343 B17R0.1705 CC(C)CCCCCCCCCC[C@H](C)C(=O)O CNP0426154.1 [0,2,0,0,0,0|0,0,0]=2 344 B17R0.11645 CC[C@@H](C)CCCCCCCCCCC(=O)OC CNP0259720.2 [0,2,0,0,0,0|0,0,0]=2 345 B17R0.11645 CC[C@H](C)CCCCCCCCCCC(=O)OC CNP0259720.1 [0,2,0,0,0,0|0,0,0]=2 346 B17R0.11645 COC(=O)CCCCCCCCCCC(=O)OC CNP0167373.0 [0,2,0,0,0,0|1,0,1]=4 347 B17R0.11647 CC[C@H](C)CCCCCCCCC[C@@H](C)C(=O)O CNP0426062.1 [0,2,0,0,0,0|0,0,0]=2 348 B17R0.11647 CC[C@H](C)CCCCCCCCC[C@@H](O)C(=O)O CNP0276875.1 [0,2,0,0,0,0|0,0,0]=2 349 B17R0.78 CCCCCCC[C@H](O)CC/C=C\CCC(=O)O CNP0186585.1 [0,2,0,0,0,0|0,0,1]=3 350 B17R0.133 CCCCCC[C@H](O)CCCCCCC(=O)OC CNP0231304.1 [0,2,0,0,0,0|0,0,0]=2 351 B17R0.97 CCCCCCCCC(=O)CCCCC(=O)OC CNP0355088.0 [0,2,0,0,0,0|0,0,1]=3 352 B17R0.195 CCCCCCC=CCCCCCCC(=O)OC CNP0367708.0 [0,2,0,0,0,0|0,0,1]=3 353 B17R0.195 CCCCCCCCCCCCCCC(=O)OC CNP0149579.0 [0,2,0,0,0,0|0,0,0]=2 354 B17R0.195 CCCCCCCCCCCCCCC(O)C=O CNP0083434.0 [0,2,0,0,0,0|0,0,1]=3 355 B17R0.195 CCCCCCCCCCCCCC[C@@H](O)CC CNP0284060.2 [0,2,0,0,0,0|1,0,1]=4 356 B17R0.195 CCCCCCCCCCCCCC[C@@H](O)CO CNP0112696.1 [0,2,0,0,0,0|0,0,2]=4 357 B17R0.195 CCCCCCCCCCCCCC[C@H](C)CO CNP0153530.1 [0,2,0,0,0,0|1,0,1]=4 358 B17R0.195 CCCCCCCCCCCCCC[C@H](O)CC CNP0284060.1 [0,2,0,0,0,0|1,0,1]=4 359 B17R0.195 CCCCCCCCCCCCOC[C@H](O)CO CNP0239233.1 [0,2,0,0,0,0|0,0,2]=4 360 B17R0.195 COC(=O)CCCCCCCCCCCCCO CNP0332818.0 [0,2,0,0,0,0|0,0,0]=2 361 B17R0.250 CCCCC=CCCCCCCCC(=O)OCC CNP0272144.0 [0,2,0,0,0,0|0,0,2]=4 362 B17R0.250 CCCCCCCCC=CCCCC(=O)OCC CNP0208913.0 [0,2,0,0,0,0|0,0,2]=4 363 B17R0.250 CCCCCCCCCC=CCCC(=O)OCC CNP0143800.0 [0,2,0,0,0,0|0,0,2]=4 364 B17R0.250 CCCCCCCCCCCCCC(=O)CCO CNP0135132.0 [0,2,0,0,0,0|0,0,0]=2 365 B17R0.250 CCCCCCCCCCCCCC(=O)OCC CNP0218436.0 [0,2,0,0,0,0|0,0,0]=2 366 B17R0.250 CCCCCCCCCCCCOC(=O)CCC CNP0291364.0 [0,2,0,0,0,0|2,0,0]=4 367 B17R0.250 CCCCCCCCCCCCOC(=O)CCS CNP0580650.0 [0,2,0,0,0,0|1,1,0]=4 368 B17R0.250 CCOC(=O)CCCCCCCCCCCC=O CNP0018675.0 [0,2,0,0,0,0|1,0,1]=4 369 B17R0.3062 CCCCCC(=O)CCCCCCCC(=O)OC CNP0138067.0 [0,2,0,0,0,0|0,0,1]=3 370 B17R0.3062 CCCCCC(C)CCCCCCCC(=O)OC CNP0533502.0 [0,2,0,0,0,0|0,0,0]=2 371 B17R0.3062 CCCCCC(O)CC=CCCCCC(=O)OC CNP0430107.0 [0,2,0,0,0,0|0,0,2]=4 372 B17R0.3062 CCCCC[C@H](O)CCCCCCCC(=O)OC CNP0155155.1 [0,2,0,0,0,0|0,0,0]=2 373 B17R0.3112 CCCCCCCCCCCC[C@@H](C)C(=O)OC CNP0327631.1 [0,2,0,0,0,0|0,0,0]=2 374 B17R0.8798 CCCCCCCCCC(=CCCC(=O)OC)C CNP0293138.0 [0,2,0,0,0,0|0,0,2]=4 375 B17R0.8798 CCCCCCCCCC(=O)CCCC(=O)OC CNP0330184.0 [0,2,0,0,0,0|0,0,1]=3 376 B17R0.13601 CCCCCCCCCCCC(O)CC(=O)OC CNP0497676.0 [0,2,0,0,0,0|0,0,0]=2 377 B17R0.13601 CCCCCCCCCCC[C@H](C)CC(=O)OC CNP0138746.1 [0,2,0,0,0,0|0,0,0]=2 378 B17R0.14245 C=C(C)C(=O)OCCCCCCCCCCCC CNP0079997.0 [0,2,0,0,0,0|2,0,0]=4 379 B17R0.14245 CCCCCCCCCCCCCC(Br)C(=O)O CNP0085793.0 [0,2,0,0,0,0|0,0,0]=2 380 B17R0.14245 CCCCCCCCCCCCCC(C)C(=O)C CNP0561213.0 [0,2,0,0,0,0|1,0,0]=3 381 B17R0.14245 CCCCCCCCCCCCCC(C)C(=O)O CNP0333673.0 [0,2,0,0,0,0|0,0,0]=2 382 B17R0.14245 CCCCCCCCCCCCC[C@@H](O)C(=O)O CNP0203568.2 [0,2,0,0,0,0|0,0,0]=2 383 B17R0.14245 CCCCCCCCCCCCC[C@H](O)C(=O)O CNP0203568.1 [0,2,0,0,0,0|0,0,0]=2 384 B17R0.14245 CCCCCCCCCCCCOC(=O)C(C)C CNP0022058.0 [0,2,0,0,0,0|2,0,0]=4 385 B17R0.14363 CC(C)CCCCCCCCCCCN(O)N=O CNP0325141.0 [0,2,0,0,0,0|1,0,0]=3 386 B17R0.14363 CC(C)CCCCCCCCCCC[C@H](O)CO CNP0109564.1 [0,2,0,0,0,0|0,0,2]=4 387 B17R0.14363 CC(C)CCCCCCCCCCC[N+](=NO)[O-] CNP0540694.0 [0,2,0,0,0,0|1,0,1]=4 388 B17R0.14363 CC[C@@H](C)CCCCC/C=C\CCCCC(=O)O CNP0087213.1 [0,2,0,0,0,0|0,0,1]=3 389 B17R0.14363 CC[C@@H](C)CCCCCCCCCCCC(=O)O CNP0185348.2 [0,2,0,0,0,0|0,0,0]=2 390 B17R0.14363 CC[C@H](C)CCCCC/C=C\CCCCC(=O)O CNP0087213.2 [0,2,0,0,0,0|0,0,1]=3 391 B17R0.14363 CC[C@H](C)CCCCCCCCCCCC(=O)O CNP0185348.1 [0,2,0,0,0,0|0,0,0]=2 392 B17R0.14363 CC[C@H](O)CCCCCCCCCCCC(=O)O CNP0388837.1 [0,2,0,0,0,0|0,0,0]=2 393 B17R0.14363 COC(=O)CCCCCCCCCCCC(C)C CNP0314872.0 [0,2,0,0,0,0|0,0,0]=2 394 B17R0.14363 COC(=O)CCCCCCCCCCCC(C)O CNP0113704.0 [0,2,0,0,0,0|0,0,0]=2 395 B17R0.14363 O=C(O)CCCCCCCCCCNC(=O)CI CNP0522575.0 [0,2,0,0,0,0|1,0,1]=4 396 B17R0.103 CCCCCCCC[C@@H](C)CCC[C@@H](C)[C@@H](C)O CNP0171191.1 [0,2,0,0,0,0|1,0,1]=4 397 B17R0.103 CCCCCCCC[C@H](C)CCC[C@@H](C)[C@@H](C)O CNP0171191.3 [0,2,0,0,0,0|1,0,1]=4 398 B17R0.103 CCCCCCCC[C@H](C)CCC[C@H](C)[C@H](C)O CNP0171191.2 [0,2,0,0,0,0|1,0,1]=4 399 B17R0.188 CCCCCCCC=CCCCC(OC)C(=O)O CNP0429046.0 [0,2,0,0,0,0|0,0,2]=4 400 B17R0.188 CCCCCCCCCCCC[C@@H](OC)C(=O)O CNP0426045.1 [0,2,0,0,0,0|0,0,0]=2 401 B17R0.38 CCCCCCCCCCC(=O)CCCC(=O)O CNP0013033.0 [0,2,0,0,0,0|0,0,0]=2 402 B17R0.43 C#CCCCCCCCCCCCCCC(=O)O CNP0346646.0 [0,2,0,0,0,0|0,0,0]=2 403 B17R0.43 C=CCCCCCCCCCCCCCC(=O)O CNP0402177.0 [0,2,0,0,0,0|0,0,0]=2 404 B17R0.43 C=CCCCCCCCCCCCCOC(=O)C CNP0110132.0 [0,2,0,0,0,0|1,0,1]=4 405 B17R0.43 CC=CCCCCCCCCCCCOC(=O)C CNP0302921.0 [0,2,0,0,0,0|1,0,1]=4 406 B17R0.43 CCC=CCCCCCCCCCCCC(=O)O CNP0122829.0 [0,2,0,0,0,0|0,0,0]=2 407 B17R0.43 CCC=CCCCCCCCCCCOC(=O)C CNP0286863.0 [0,2,0,0,0,0|1,0,1]=4 408 B17R0.43 CCCC=CCC=CCCCCCCCC(=O)O CNP0205384.0 [0,2,0,0,0,0|0,0,2]=4 409 B17R0.43 CCCC=CCCCCCCCCCOC(=O)C CNP0105547.0 [0,2,0,0,0,0|1,0,1]=4 410 B17R0.43 CCCCC=CC#CCCCCCCCC(=O)O CNP0339219.0 [0,2,0,0,0,0|0,0,2]=4 411 B17R0.43 CCCCC=CCCCC=CCCCCC(=O)O CNP0253493.0 [0,2,0,0,0,0|0,0,2]=4 412 B17R0.43 CCCCC=CCCCCCCCCCC(=O)O CNP0136432.0 [0,2,0,0,0,0|0,0,0]=2 413 B17R0.43 CCCCC=CCCCCCCCCOC(=O)C CNP0323196.0 [0,2,0,0,0,0|1,0,1]=4 414 B17R0.43 CCCCCC#CCC=CCCCCCC(=O)O CNP0266252.0 [0,2,0,0,0,0|0,0,2]=4 415 B17R0.43 CCCCCC=CCC=CCCCCCC(=O)O CNP0227675.0 [0,2,0,0,0,0|0,0,2]=4 416 B17R0.43 CCCCCC=CCCCCCCCCC(=O)O CNP0252758.0 [0,2,0,0,0,0|0,0,0]=2 417 B17R0.43 CCCCCC=CCCCCCCCOC(=O)C CNP0165597.0 [0,2,0,0,0,0|1,0,1]=4 418 B17R0.43 CCCCCCC=CCC=CCCCCC(=O)O CNP0314863.0 [0,2,0,0,0,0|0,0,2]=4 419 B17R0.43 CCCCCCC=CCCC=CCCCC(=O)O CNP0189604.0 [0,2,0,0,0,0|0,0,2]=4 420 B17R0.43 CCCCCCC=CCCCC=CCCC(=O)O CNP0169031.0 [0,2,0,0,0,0|0,0,2]=4 421 B17R0.43 CCCCCCC=CCCCCCCCC(=O)C CNP0313191.0 [0,2,0,0,0,0|1,0,0]=3 422 B17R0.43 CCCCCCC=CCCCCCCCC(=O)N CNP0531393.0 [0,2,0,0,0,0|1,0,0]=3 423 B17R0.43 CCCCCCC=CCCCCCCCC(=O)O CNP0307038.0 [0,2,0,0,0,0|0,0,0]=2 424 B17R0.43 CCCCCCC=CCCCCCCOC(=O)C CNP0286306.0 [0,2,0,0,0,0|1,0,1]=4 425 B17R0.43 CCCCCCCC=CCCCCCCC(=O)O CNP0573774.0 [0,2,0,0,0,0|0,0,0]=2 426 B17R0.43 CCCCCCCC=CCCCCCOC(=O)C CNP0152601.0 [0,2,0,0,0,0|1,0,1]=4 427 B17R0.43 CCCCCCCCC#CCCCCCC(=O)O CNP0281107.0 [0,2,0,0,0,0|0,0,0]=2 428 B17R0.43 CCCCCCCCC=CCCCCCC(=O)O CNP0272289.0 [0,2,0,0,0,0|0,0,0]=2 429 B17R0.43 CCCCCCCCC=CCCCCOC(=O)C CNP0250860.0 [0,2,0,0,0,0|1,0,1]=4 430 B17R0.43 CCCCCCCCCC#CCCCCC(=O)O CNP0216850.0 [0,2,0,0,0,0|0,0,0]=2 431 B17R0.43 CCCCCCCCCC=CCC=CCC(=O)O CNP0170791.0 [0,2,0,0,0,0|0,0,2]=4 432 B17R0.43 CCCCCCCCCC=CCCCCC(=O)O CNP0204690.0 [0,2,0,0,0,0|0,0,0]=2 433 B17R0.43 CCCCCCCCCCC=CCCCC(=O)O CNP0204286.0 [0,2,0,0,0,0|0,0,0]=2 434 B17R0.43 CCCCCCCCCCCC=CC=CC(=O)O CNP0401101.0 [0,2,0,0,0,0|0,0,2]=4 435 B17R0.43 CCCCCCCCCCCC=CCCC(=O)O CNP0187858.0 [0,2,0,0,0,0|0,0,0]=2 436 B17R0.43 CCCCCCCCCCCCC=CCC(=O)O CNP0135366.0 [0,2,0,0,0,0|0,0,0]=2 437 B17R0.43 CCCCCCCCCCCCC=COC(=O)C CNP0520630.0 [0,2,0,0,0,0|1,0,1]=4 438 B17R0.43 CCCCCCCCCCCCCC=CC(=O)C CNP0381442.0 [0,2,0,0,0,0|1,0,0]=3 439 B17R0.43 CCCCCCCCCCCCCC=CC(=O)O CNP0340973.0 [0,2,0,0,0,0|0,0,0]=2 440 B17R0.43 CCCCCCCCCCCCCC=C[N+](=O)[O-] CNP0493908.0 [0,2,0,0,0,0|1,0,1]=4 441 B17R0.43 CCCCCCCCCCCCCCCC(=O)C CNP0188334.0 [0,2,0,0,0,0|1,0,0]=3 442 B17R0.43 CCCCCCCCCCCCCCCC(=O)Cl CNP0198740.0 [0,2,0,0,0,0|1,0,0]=3 443 B17R0.43 CCCCCCCCCCCCCCCC(=O)N CNP0243925.0 [0,2,0,0,0,0|1,0,0]=3 444 B17R0.43 CCCCCCCCCCCCCCCC(=O)O CNP0420987.0 [0,2,0,0,0,0|0,0,0]=2 445 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0495891.0 [0,2,0,0,0,0|0,0,1]=3 446 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0499278.0 [0,2,0,0,0,0|0,0,1]=3 447 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0554778.0 [0,2,0,0,0,0|0,0,1]=3 448 B17R0.43 CCCCCCCCCCCCCCCC(=O)[O-] CNP0601923.0 [0,2,0,0,0,0|0,0,1]=3 449 B17R0.43 CCCCCCCCCCCCCCCC(C)O CNP0605434.0 [0,2,0,0,0,0|1,0,1]=4 450 B17R0.43 CCCCCCCCCCCCCCCC(O)O CNP0508737.0 [0,2,0,0,0,0|0,0,2]=4 451 B17R0.43 CCCCCCCCCCCCCCOC(=O)C CNP0192551.0 [0,2,0,0,0,0|1,0,0]=3 452 B17R0.43 COSCCCCCCCCCCCNC(=O)N CNP0323501.0 [0,2,0,0,0,0|2,0,0]=4 453 B17R0.43 O=C(O)CCCCCCCCCCCCCCO CNP0323800.0 [0,2,0,0,0,0|0,0,0]=2 454 B17R0.43 [2H]C(=O)CCCCCCCCCCCCCCC CNP0578199.0 [0,2,0,0,0,0|1,0,0]=3 455 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)O CNP0495608.0 [0,2,0,0,0,0|0,0,0]=2 456 B17R0.116 CCCCCCCCCCCC[C@H](C)CC(=O)O CNP0018672.1 [0,2,0,0,0,0|0,0,0]=2 457 B17R0.116 CCCCCCCCCCCC[C@H](O)CC(=O)O CNP0107830.1 [0,2,0,0,0,0|0,0,0]=2 458 B17R0.192 CCCCCCCCCCCC(=O)COC(=O)C CNP0253197.0 [0,2,0,0,0,0|1,0,1]=4 459 B17R0.192 CCCCCCCCCCCC(=O)NCC(=O)O CNP0001599.0 [0,2,0,0,0,0|0,0,1]=3 460 B17R0.1713 CC(=O)CCCCCCCC=CCCCC(C)C CNP0310266.0 [0,2,0,0,0,0|1,0,1]=4 461 B17R0.1713 CC(Br)CCCCCCCCCCCCC(=O)O CNP0076675.0 [0,2,0,0,0,0|0,0,0]=2 462 B17R0.1713 CC(C)CCCC=CCCCCCCCC(=O)O CNP0173044.0 [0,2,0,0,0,0|0,0,1]=3 463 B17R0.1713 CC(C)CCCCCCC=CCCCCC(=O)O CNP0394526.0 [0,2,0,0,0,0|0,0,1]=3 464 B17R0.1713 CC(C)CCCCCCCC=CCCCC(=O)O CNP0017632.0 [0,2,0,0,0,0|0,0,1]=3 465 B17R0.1713 CC(C)CCCCCCCCC=CCCC(=O)O CNP0306603.0 [0,2,0,0,0,0|0,0,1]=3 466 B17R0.1713 CC(C)CCCCCCCCCCC=CC(=O)O CNP0486257.0 [0,2,0,0,0,0|0,0,1]=3 467 B17R0.1713 CC(C)CCCCCCCCCCCCC(=O)O CNP0340738.0 [0,2,0,0,0,0|0,0,0]=2 468 B17R0.1713 C[S@+]([O-])CCCCCCCCCCCNC(=O)N CNP0529716.1 [0,2,0,0,0,0|2,0,0]=4 469 B17R0.1713 C[S@H+]([O-])CCCCCCCCCCCNC(=O)N CNP0520191.1 [0,2,0,0,0,0|2,0,0]=4 470 B17R0.1713 O=C(O)CCCCCCCCCCCCC(=O)O CNP0288337.0 [0,2,0,0,0,0|0,0,1]=3 471 B17R0.8801 CCCCCCCCC[C@H](O)CCCCC(=O)O CNP0287679.1 [0,2,0,0,0,0|0,0,0]=2 472 B17R0.1598 CC(=CCCC(=O)O)CCCCCCCC(C)C CNP0427557.0 [0,2,0,0,0,0|0,0,2]=4 473 B17R0.1598 CC(C)CCCC(C)CCCCCCCC(=O)O CNP0432495.0 [0,2,0,0,0,0|0,0,0]=2 474 B17R0.6460 CCCCCCCCCCCS(=O)(=O)CC(=O)O CNP0151919.0 [0,2,0,0,0,0|1,0,0]=3 475 B17R0.1620 CC(C)(C)CCCCCCCCCCCC(=O)O CNP0331726.0 [0,2,0,0,0,0|0,0,0]=2 476 B15R1.35 CCCCCCCCCC1CCCCC1 CNP0080463.0 [1,0,0,1,0,0|1,0,1]=4 477 B15R1.253 N[C@H]1CCCCCCCCCCNC1=O CNP0547506.1 [1,0,0,1,0,0|2,0,0]=4 478 B15R1.2988 C1CCCCCCCCCCCCCC1 CNP0076970.0 [1,0,0,1,0,0|1,0,1]=4 479 B15R1.3873 O=CC=C1CCCCCCCCCCC1 CNP0338593.0 [1,0,0,1,0,0|0,0,2]=4 480 B15R1.6595 O=C1C=CCCCCCCCCCCC1 CNP0071987.0 [1,0,0,1,0,0|0,0,2]=4 481 B15R1.6595 O=C1CCCC=CCCCCCCCC1 CNP0321790.0 [1,0,0,1,0,0|0,0,2]=4 482 B15R1.6595 O=C1CCCCCCCCCCCCC1 CNP0211498.0 [1,0,0,1,0,0|0,0,0]=2 483 B15R1.6595 O=C1CCCCCCCCCCCCO1 CNP0407259.0 [1,0,0,1,0,0|1,0,0]=3 484 B15R1.106 CCCCCCCCC1CCCC(=O)O1 CNP0174932.0 [1,0,0,1,0,0|0,0,0]=2 485 B15R1.1941 CCCCCCC[C@@H]1C[C@H]1CCC(=O)O CNP0253160.1 [1,0,0,1,0,0|0,0,0]=2 486 B15R1.5737 C[C@@H]1CCCCCCCCCCC(=O)C1 CNP0104860.1 [1,0,0,1,0,0|1,0,0]=3 487 B15R1.5737 C[C@@H]1CCCCCCCCCCC(=O)O1 CNP0233115.1 [1,0,0,1,0,0|0,0,0]=2 488 B15R1.11847 CCCCCC[C@H]1C[C@H]1CCCC(=O)O CNP0431634.1 [1,0,0,1,0,0|0,0,0]=2 489 B15R1.11891 CCCCCC/C=C\C[C@@H]1C[C@H]1C(=O)O CNP0071923.1 [1,0,0,1,0,0|0,0,2]=4 490 B17R1.9279 O=C(O)CCCCCCCCCC1CCCC1 CNP0595235.0 [0,1,0,1,0,0|0,0,0]=2 491 B17R1.93230 C[C@@H]1C[C@@H](CCCC/C=C\CCCC(=O)O1)O CNP0336486.2 [0,1,0,1,0,0|0,0,2]=4 492 B17R1.93230 C[C@@H]1C[C@H](CCCC/C=C/CCCC(=O)O1)O CNP0336486.1 [0,1,0,1,0,0|0,0,2]=4 493 B17R1.93230 C[C@H]1C[C@@H](CCCC/C=C\CCCC(=O)O1)O CNP0336486.3 [0,1,0,1,0,0|0,0,2]=4 494 B17R1.94449 C[C@@H]1COC(=O)CCCCCCCCC(=O)O1 CNP0361234.2 [0,1,0,1,0,0|1,0,1]=4 495 B17R1.94449 C[C@H]1COC(=O)CCCCCCCCC(=O)O1 CNP0361234.1 [0,1,0,1,0,0|1,0,1]=4 496 B17R1.106535 CCCCC[C@@H]1C(=O)CC[C@@H]1CCCC(=O)O CNP0321114.2 [0,1,0,1,0,0|0,0,1]=3 497 B17R1.106535 CCCCC[C@H]1C(=O)CC[C@@H]1CCCC(=O)O CNP0321114.1 [0,1,0,1,0,0|0,0,1]=3 498 B17R1.444 O=C1CCCCCCCCCCCCCC1O CNP0524324.0 [0,1,0,1,0,0|0,0,0]=2 499 B17R1.5249 CCCCCCCCCCCCC1CCC1=O CNP0378227.0 [0,1,0,1,0,0|1,0,0]=3 500 B17R1.11298 O=C1CCCCCCCCCCCCCCO1 CNP0332126.0 [0,1,0,1,0,0|0,0,0]=2 501 B17R1.11298 OC1CCCCCCCCCCCCCCC1 CNP0578812.0 [0,1,0,1,0,0|1,0,1]=4 502 B17R1.27002 ON=C1CCCCCCCCCCCCCC1 CNP0236947.0 [0,1,0,1,0,0|1,0,0]=3 503 B17R1.11267 C[C@@H]1CCCCCCCCCCCCC(=O)C1 CNP0242080.1 [0,1,0,1,0,0|1,0,0]=3 504 B17R1.11267 C[C@@H]1CCCCCCCCCCCC[C@@H](C1)O CNP0323065.3 [0,1,0,1,0,0|1,0,1]=4 505 B17R1.11267 C[C@H]1CCCCCCCCCCCCC(=O)C1 CNP0242080.2 [0,1,0,1,0,0|1,0,0]=3 506 B17R1.11267 C[C@H]1CCCCCCCCCCCCC(=O)O1 CNP0117066.1 [0,1,0,1,0,0|0,0,0]=2 507 B17R1.11267 C[C@H]1CCCCCCCCCCCCC(C1)O CNP0323065.1 [0,1,0,1,0,0|1,0,1]=4 508 B17R1.11267 C[C@H]1CCCCCCCCCCCC[C@@H](C1)O CNP0323065.2 [0,1,0,1,0,0|1,0,1]=4 509 B17R1.29093 CCCCCCCCCCCCCC[C@@H]1CO1 CNP0238829.1 [0,1,0,1,0,0|1,0,1]=4 510 B17R1.107031 CCCCCC1C/C=C\[C@H](CCCC(=O)O1)O CNP0285096.2 [0,1,0,1,0,0|0,0,2]=4 511 B17R1.107031 CCCCC[C@H]1C/C=C/[C@H](CCCC(=O)O1)O CNP0285096.1 [0,1,0,1,0,0|0,0,2]=4 512 B17R1.278 CCCCCCC/C=C/[C@@H]1C[C@@H](CC(=O)O1)O CNP0063274.3 [0,1,0,1,0,0|0,0,2]=4 513 B17R1.278 CCCCCCC/C=C/[C@@H]1C[C@H](CC(=O)O1)O CNP0063274.4 [0,1,0,1,0,0|0,0,2]=4 514 B17R1.278 CCCCCCC/C=C/[C@H]1C[C@@H](CC(=O)O1)O CNP0063274.2 [0,1,0,1,0,0|0,0,2]=4 515 B17R1.278 CCCCCCC/C=C/[C@H]1C[C@H](CC(=O)O1)O CNP0063274.1 [0,1,0,1,0,0|0,0,2]=4 516 B17R1.278 CCCCCCCCC[C@@H]1C[C@H](CC(=O)O1)O CNP0403529.1 [0,1,0,1,0,0|0,0,0]=2 517 B17R1.40 CCCCC/C=C\C[C@H](O)[C@H]1CCCC(=O)O1 CNP0103074.1 [0,1,0,1,0,0|0,0,2]=4 518 B17R2.291558 O=C(O)CSC[C@@H]1CCCN2[C@@H]1CCCC2 CNP0399852.2 [0,0,0,2,0,0|2,0,0]=4