0 B14R0.394 C#CCCCCCCCCCCC(=O)C CNP0503056.0 [0,0,0,0,0,0|1,0,2]=3 1 B14R0.394 C=CCCCCCCCCCOC(=O)C CNP0003547.0 [0,0,0,0,0,0|2,0,2]=4 2 B14R0.394 CC(C)CCCCCCCCCCCN CNP0301011.0 [0,0,0,0,0,0|3,0,1]=4 3 B14R0.394 CC=CCCCCCCCCOC(=O)C CNP0308487.0 [0,0,0,0,0,0|2,0,2]=4 4 B14R0.394 CCCC=CCCCCCCOC(=O)C CNP0162411.0 [0,0,0,0,0,0|2,0,2]=4 5 B14R0.394 CCCCCC=CCCCCCC(=O)O CNP0547535.0 [0,0,0,0,0,0|0,0,2]=2 6 B14R0.394 CCCCCCC=CCCCCC(=O)C CNP0245771.0 [0,0,0,0,0,0|1,0,2]=3 7 B14R0.394 CCCCCCCC=CC=CCC(=O)O CNP0547274.0 [0,0,0,0,0,0|0,0,4]=4 8 B14R0.394 CCCCCCCCCCC=CC(=O)O CNP0334789.0 [0,0,0,0,0,0|0,0,2]=2 9 B14R0.394 CCCCCCCCCCCCC(=O)C CNP0420877.0 [0,0,0,0,0,0|1,0,0]=1 10 B14R0.394 CCCCCCCCCCCCC(=O)N CNP0216559.0 [0,0,0,0,0,0|1,0,0]=1 11 B14R0.394 CCCCCCCCCCCCC(=O)O CNP0145185.0 [0,0,0,0,0,0|0,0,0]=0 12 B14R0.394 CCCCCCCCCCCCC(C)C CNP0391491.0 [0,0,0,0,0,0|2,0,1]=3 13 B14R0.394 CCCCCCCCCCCCC(C)O CNP0214390.0 [0,0,0,0,0,0|1,0,1]=2 14 B14R0.394 CCCCCCCCCCCCN(C)C CNP0476829.0 [0,0,0,0,0,0|3,0,0]=3 15 B14R0.394 CCCCCCCCCCCOC(=O)C CNP0260334.0 [0,0,0,0,0,0|2,0,0]=2 16 B14R0.394 NCCCCCCCCCCCC(=O)O CNP0125044.0 [0,0,0,0,0,0|1,0,0]=1 17 B14R0.394 O=C(O)CCCCCCCC=CCCO CNP0178804.0 [0,0,0,0,0,0|1,0,2]=3 18 B14R0.394 O=C(O)CCCCCCCCCCCBr CNP0057228.0 [0,0,0,0,0,0|1,0,0]=1 19 B14R0.394 O=C(O)CCCCCCCCCCCO CNP0273728.0 [0,0,0,0,0,0|1,0,0]=1 20 B14R0.394 O=CC=CCCCCCCCCC(=O)O CNP0296195.0 [0,0,0,0,0,0|1,0,3]=4 21 B14R0.394 O=CCC=CCCCCCCCC(=O)O CNP0032750.0 [0,0,0,0,0,0|1,0,3]=4 22 B14R0.394 [2H]CCCCCCCCCCCC(=O)O CNP0602095.0 [0,0,0,0,0,0|1,0,0]=1 23 B13R0.54 C=C(C)CCCCCCCCCCC CNP0076867.0 [1,0,0,0,0,0|2,0,0]=3 24 B13R0.54 C=CCCCCCCCCCC(=O)C CNP0306240.0 [1,0,0,0,0,0|1,0,2]=4 25 B13R0.54 C=CCCCCCCCCCC(=O)O CNP0172494.0 [1,0,0,0,0,0|0,0,2]=3 26 B13R0.54 CCC=CCCCCCCCC(=O)O CNP0316183.0 [1,0,0,0,0,0|0,0,2]=3 27 B13R0.54 CCCC=CCCCCCCC(=O)O CNP0213131.0 [1,0,0,0,0,0|0,0,2]=3 28 B13R0.54 CCCCC=CCCCCCC(=O)O CNP0155826.0 [1,0,0,0,0,0|0,0,2]=3 29 B13R0.54 CCCCCC=CCCCCC(=O)C CNP0213133.0 [1,0,0,0,0,0|1,0,2]=4 30 B13R0.54 CCCCCC=CCCCCC(=O)O CNP0611346.0 [1,0,0,0,0,0|0,0,2]=3 31 B13R0.54 CCCCCCC=CCCCC(=O)O CNP0163257.0 [1,0,0,0,0,0|0,0,2]=3 32 B13R0.54 CCCCCCCC=CCCC(=O)O CNP0181626.0 [1,0,0,0,0,0|0,0,2]=3 33 B13R0.54 CCCCCCCCC=CCC(=O)O CNP0579851.0 [1,0,0,0,0,0|0,0,2]=3 34 B13R0.54 CCCCCCCCCC=CC(=O)C CNP0265083.0 [1,0,0,0,0,0|1,0,2]=4 35 B13R0.54 CCCCCCCCCC=CC(=O)O CNP0126369.0 [1,0,0,0,0,0|0,0,2]=3 36 B13R0.54 CCCCCCCCCCCC(=O)C CNP0221288.0 [1,0,0,0,0,0|1,0,0]=2 37 B13R0.54 CCCCCCCCCCCC(=O)N CNP0127821.0 [1,0,0,0,0,0|1,0,0]=2 38 B13R0.54 CCCCCCCCCCCC(=O)O CNP0303017.0 [1,0,0,0,0,0|0,0,0]=1 39 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0514502.0 [1,0,0,0,0,0|0,0,1]=2 40 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526629.0 [1,0,0,0,0,0|0,0,1]=2 41 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526943.0 [1,0,0,0,0,0|0,0,1]=2 42 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0575486.0 [1,0,0,0,0,0|0,0,1]=2 43 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0604542.0 [1,0,0,0,0,0|0,0,1]=2 44 B13R0.54 CCCCCCCCCCCC(C)C CNP0149200.0 [1,0,0,0,0,0|2,0,1]=4 45 B13R0.54 CCCCCCCCCCC[C@@H](C)O CNP0149423.2 [1,0,0,0,0,0|1,0,1]=3 46 B13R0.54 CCCCCCCCCCC[C@H](C)O CNP0149423.1 [1,0,0,0,0,0|1,0,1]=3 47 B13R0.54 CCCCCCCCCCOC(=O)C CNP0190607.0 [1,0,0,0,0,0|2,0,0]=3 48 B13R0.54 CCCCCCCCCCOC(=O)S CNP0481026.0 [1,0,0,0,0,0|1,1,0]=3 49 B13R0.54 CCCCCCCCSCCC(=O)O CNP0574442.0 [1,0,0,0,0,0|1,0,0]=2 50 B13R0.54 O=C(O)CCCCCCCC=CCO CNP0273167.0 [1,0,0,0,0,0|1,0,2]=4 51 B13R0.54 O=C(O)CCCCCCCCCCBr CNP0033746.0 [1,0,0,0,0,0|1,0,0]=2 52 B13R0.54 O=C(O)CCCCCCCCCCS CNP0586086.0 [1,0,0,0,0,0|1,0,0]=2 53 B13R0.54 O=CCCCCCCCCCC(=O)O CNP0102682.0 [1,0,0,0,0,0|1,0,1]=3 54 B13R0.54 [2H]C(=C)CCCCCCCCCCC CNP0557104.0 [1,0,0,0,0,0|2,0,0]=3 55 B13R0.336 C#CCCCCCCCCCCCC CNP0579427.0 [1,0,0,0,0,0|1,0,1]=3 56 B13R0.336 C=CCCCCCCC=CCCCC CNP0527141.0 [1,0,0,0,0,0|1,0,2]=4 57 B13R0.336 C=CCCCCCCCCCCC=C CNP0252871.0 [1,0,0,0,0,0|1,0,2]=4 58 B13R0.336 C=CCCCCCCCCCCCC CNP0137398.0 [1,0,0,0,0,0|1,0,0]=2 59 B13R0.336 C=CCNCCCCCCCCCC CNP0522683.0 [1,0,0,0,0,0|2,0,0]=3 60 B13R0.336 CC=CCCCCCCCCCCC CNP0269313.0 [1,0,0,0,0,0|1,0,1]=3 61 B13R0.336 CC=CCCCCCCCCCCO CNP0151348.0 [1,0,0,0,0,0|0,0,3]=4 62 B13R0.336 CCC=CCCCCCCCCCO CNP0173162.0 [1,0,0,0,0,0|0,0,3]=4 63 B13R0.336 CCCCC=CCCCCCCCO CNP0171301.0 [1,0,0,0,0,0|0,0,3]=4 64 B13R0.336 CCCCCCCCC=CCCC=O CNP0003281.0 [1,0,0,0,0,0|0,0,2]=3 65 B13R0.336 CCCCCCCCC=CCCCO CNP0351626.0 [1,0,0,0,0,0|0,0,3]=4 66 B13R0.336 CCCCCCCCCCC=CC=O CNP0146353.0 [1,0,0,0,0,0|0,0,2]=3 67 B13R0.336 CCCCCCCCCCC=CCO CNP0096544.0 [1,0,0,0,0,0|0,0,3]=4 68 B13R0.336 CCCCCCCCCCCC=CO CNP0586715.0 [1,0,0,0,0,0|0,0,1]=2 69 B13R0.336 CCCCCCCCCCCC=NO CNP0018714.0 [1,0,0,0,0,0|1,0,1]=3 70 B13R0.336 CCCCCCCCCCCCC#N CNP0226803.0 [1,0,0,0,0,0|1,0,1]=3 71 B13R0.336 CCCCCCCCCCCCC=O CNP0222214.0 [1,0,0,0,0,0|0,0,0]=1 72 B13R0.336 CCCCCCCCCCCCCC CNP0293304.0 [1,0,0,0,0,0|1,0,1]=3 73 B13R0.336 CCCCCCCCCCCCCI CNP0486092.0 [1,0,0,0,0,0|1,0,1]=3 74 B13R0.336 CCCCCCCCCCCCCN CNP0561220.0 [1,0,0,0,0,0|1,0,1]=3 75 B13R0.336 CCCCCCCCCCCCCO CNP0139347.0 [1,0,0,0,0,0|0,0,1]=2 76 B13R0.336 CCCCCCCCCCCOC=O CNP0085671.0 [1,0,0,0,0,0|1,0,0]=2 77 B13R0.336 OCCCCCCCCCCCCBr CNP0591539.0 [1,0,0,0,0,0|1,0,1]=3 78 B13R0.336 OCCCCCCCCCCCCO CNP0172707.0 [1,0,0,0,0,0|1,0,1]=3 79 B15R0.69 CCCCCCCCCCC(C)CC(=O)O CNP0273459.0 [0,1,0,0,0,0|0,0,0]=1 80 B15R0.69 CCCCCCCCCC[C@H](C)OC(=O)C CNP0204455.1 [0,1,0,0,0,0|2,0,0]=3 81 B15R0.69 CCCCCCCCCC[C@H](O)CC(=O)O CNP0272673.1 [0,1,0,0,0,0|0,0,0]=1 82 B15R0.81 CCCCCCCCCCC=CC(=O)OC CNP0291148.0 [0,1,0,0,0,0|0,0,2]=3 83 B15R0.81 CCCCCCCCCCCCC(=O)OC CNP0210866.0 [0,1,0,0,0,0|0,0,0]=1 84 B15R0.81 CCCCCCCCCCCC[C@@H](C)CC CNP0322318.2 [0,1,0,0,0,0|2,0,1]=4 85 B15R0.81 CCCCCCCCCCCC[C@H](Br)CBr CNP0107528.1 [0,1,0,0,0,0|2,0,1]=4 86 B15R0.81 CCCCCCCCCCCC[C@H](C)CC CNP0322318.1 [0,1,0,0,0,0|2,0,1]=4 87 B15R0.81 CCCCCCCCCCCC[C@H](O)CO CNP0295554.1 [0,1,0,0,0,0|0,0,2]=3 88 B15R0.81 CCCCCCCCCCCOC(=O)CC CNP0236979.0 [0,1,0,0,0,0|2,0,0]=3 89 B15R0.81 COC(=O)CCCCCCCC=CCCO CNP0332831.0 [0,1,0,0,0,0|1,0,2]=4 90 B15R0.81 COC(=O)CCCCCCCCCCCO CNP0267260.0 [0,1,0,0,0,0|1,0,0]=2 91 B15R0.84 CCCCCCCCCCCC(C)C(=O)O CNP0596867.0 [0,1,0,0,0,0|0,0,0]=1 92 B15R0.84 CCCCCCCCCCCC(N)C(=O)O CNP0041447.0 [0,1,0,0,0,0|0,0,0]=1 93 B15R0.84 CCCCCCCCCCC[C@@H](C)C(=O)C CNP0377330.1 [0,1,0,0,0,0|1,0,0]=2 94 B15R0.84 CCCCCCCCCCC[C@@H](O)C(=O)O CNP0340683.1 [0,1,0,0,0,0|0,0,0]=1 95 B15R0.84 CCCCCCCCCCC[C@@H](O)[C@H](C)N CNP0291425.1 [0,1,0,0,0,0|2,0,1]=4 96 B15R0.84 CCCCCCCCCCC[C@H](O)[C@@H](C)N CNP0291425.3 [0,1,0,0,0,0|2,0,1]=4 97 B15R0.84 CCCCCCCCCCC[C@H](O)[C@H](C)N CNP0291425.2 [0,1,0,0,0,0|2,0,1]=4 98 B15R0.84 CCCCCCCCCSC[C@H](N)C(=O)O CNP0590207.1 [0,1,0,0,0,0|1,0,0]=2 99 B15R0.88 CCCCCCCCCC(=O)NCC(=O)O CNP0004511.0 [0,1,0,0,0,0|1,0,1]=3 100 B15R0.88 CCCCCCCCCC(C)CCC(C)C CNP0411367.0 [0,1,0,0,0,0|2,0,1]=4 101 B15R0.88 CCCCCCCCC[C@H](O)CNC(=O)C CNP0276757.1 [0,1,0,0,0,0|2,0,0]=3 102 B15R0.111 CCCC(C)CCCCCCCCC(=O)O CNP0227243.0 [0,1,0,0,0,0|0,0,0]=1 103 B15R0.164 C=C(C)CCCCCCCCCCCCC CNP0612174.0 [0,1,0,0,0,0|2,0,0]=3 104 B15R0.164 C=CCCCCCCCCCCOC(=O)C CNP0406625.0 [0,1,0,0,0,0|1,0,2]=4 105 B15R0.164 CC(=O)OCCCCCCCCCCCO CNP0546903.0 [0,1,0,0,0,0|2,0,0]=3 106 B15R0.164 CC=CCCCCCCCCCOC(=O)C CNP0230290.0 [0,1,0,0,0,0|1,0,2]=4 107 B15R0.164 CCC=CCCCCCCCCCC(=O)O CNP0128284.0 [0,1,0,0,0,0|0,0,1]=2 108 B15R0.164 CCC=CCCCCCCCCOC(=O)C CNP0132176.0 [0,1,0,0,0,0|1,0,2]=4 109 B15R0.164 CCCC=CCCCCCCCCC(=O)O CNP0296382.0 [0,1,0,0,0,0|0,0,1]=2 110 B15R0.164 CCCC=CCCCCCCCOC(=O)C CNP0304445.0 [0,1,0,0,0,0|1,0,2]=4 111 B15R0.164 CCCCC#CC#CCCCCCC(=O)O CNP0184713.0 [0,1,0,0,0,0|0,0,3]=4 112 B15R0.164 CCCCC=CCCCCCCCC(=O)O CNP0275417.0 [0,1,0,0,0,0|0,0,1]=2 113 B15R0.164 CCCCC=CCCCCCCOC(=O)C CNP0179053.0 [0,1,0,0,0,0|1,0,2]=4 114 B15R0.164 CCCCCC=CCC=CCCCC(=O)O CNP0252113.0 [0,1,0,0,0,0|0,0,3]=4 115 B15R0.164 CCCCCC=CCCCCCCC(=O)O CNP0610378.0 [0,1,0,0,0,0|0,0,1]=2 116 B15R0.164 CCCCCCC=CCCCCCC(=O)C CNP0220207.0 [0,1,0,0,0,0|1,0,1]=3 117 B15R0.164 CCCCCCC=CCCCCCC(=O)O CNP0217475.0 [0,1,0,0,0,0|0,0,1]=2 118 B15R0.164 CCCCCCC=CCCCCOC(=O)C CNP0212830.0 [0,1,0,0,0,0|1,0,2]=4 119 B15R0.164 CCCCCCCC=CCCCCC(=O)O CNP0592369.0 [0,1,0,0,0,0|0,0,1]=2 120 B15R0.164 CCCCCCCC=CCCCOC(=O)C CNP0503025.0 [0,1,0,0,0,0|1,0,2]=4 121 B15R0.164 CCCCCCCCC#CCCCC(=O)O CNP0087239.0 [0,1,0,0,0,0|0,0,1]=2 122 B15R0.164 CCCCCCCCC=CC=CCC(=O)O CNP0209964.0 [0,1,0,0,0,0|0,0,3]=4 123 B15R0.164 CCCCCCCCC=CCCCC(=O)O CNP0243360.0 [0,1,0,0,0,0|0,0,1]=2 124 B15R0.164 CCCCCCCCC=CCCOC(=O)C CNP0610375.0 [0,1,0,0,0,0|1,0,2]=4 125 B15R0.164 CCCCCCCCCC=CC=CC(=O)O CNP0188922.0 [0,1,0,0,0,0|0,0,3]=4 126 B15R0.164 CCCCCCCCCC=CCCC(=O)O CNP0153002.0 [0,1,0,0,0,0|0,0,1]=2 127 B15R0.164 CCCCCCCCCCC=CCC(=O)O CNP0286494.0 [0,1,0,0,0,0|0,0,1]=2 128 B15R0.164 CCCCCCCCCCC=COC(=O)C CNP0375176.0 [0,1,0,0,0,0|1,0,2]=4 129 B15R0.164 CCCCCCCCCCCC=CC(=O)O CNP0189070.0 [0,1,0,0,0,0|0,0,1]=2 130 B15R0.164 CCCCCCCCCCCCCC(=O)C CNP0264327.0 [0,1,0,0,0,0|1,0,0]=2 131 B15R0.164 CCCCCCCCCCCCCC(=O)Cl CNP0358595.0 [0,1,0,0,0,0|1,0,0]=2 132 B15R0.164 CCCCCCCCCCCCCC(=O)N CNP0178369.0 [0,1,0,0,0,0|1,0,0]=2 133 B15R0.164 CCCCCCCCCCCCCC(=O)O CNP0262703.0 [0,1,0,0,0,0|0,0,0]=1 134 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0499274.0 [0,1,0,0,0,0|0,0,1]=2 135 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0523059.0 [0,1,0,0,0,0|0,0,1]=2 136 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0564358.0 [0,1,0,0,0,0|0,0,1]=2 137 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0571835.0 [0,1,0,0,0,0|0,0,1]=2 138 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0572021.0 [0,1,0,0,0,0|0,0,1]=2 139 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0601618.0 [0,1,0,0,0,0|0,0,1]=2 140 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0606714.0 [0,1,0,0,0,0|0,0,1]=2 141 B15R0.164 CCCCCCCCCCCCCC(C)C CNP0173042.0 [0,1,0,0,0,0|2,0,1]=4 142 B15R0.164 CCCCCCCCCCCCC[C@@H](C)O CNP0286674.1 [0,1,0,0,0,0|1,0,1]=3 143 B15R0.164 CCCCCCCCCCCCC[C@H](C)O CNP0286674.2 [0,1,0,0,0,0|1,0,1]=3 144 B15R0.164 CCCCCCCCCCCCOC(=O)C CNP0114177.0 [0,1,0,0,0,0|1,0,0]=2 145 B15R0.164 CCCCCCCCCCCCOC(C)C CNP0155066.0 [0,1,0,0,0,0|2,0,1]=4 146 B15R0.164 CCCOCCCCCCCCCC(=O)O CNP0135214.0 [0,1,0,0,0,0|0,0,0]=1 147 B15R0.164 O=C(O)CCCCCCCCCCCCO CNP0104071.0 [0,1,0,0,0,0|0,0,0]=1 148 B15R0.164 O=CCCCCCCCCCCCC(=O)O CNP0017740.0 [0,1,0,0,0,0|0,0,1]=2 149 B15R0.193 CCCCCC[C@H](O)CCCCCC(=O)O CNP0170541.1 [0,1,0,0,0,0|0,0,0]=1 150 B15R0.222 CC(=O)CCCCCC=CCCCC(C)C CNP0227426.0 [0,1,0,0,0,0|1,0,2]=4 151 B15R0.222 CC(=O)OCCCCCCCCCC(=O)O CNP0256330.0 [0,1,0,0,0,0|1,0,1]=3 152 B15R0.222 CC(C)CCCCC=CCCCCC(=O)O CNP0546962.0 [0,1,0,0,0,0|0,0,2]=3 153 B15R0.222 CC(C)CCCCCCCCCCC(=O)O CNP0189217.0 [0,1,0,0,0,0|0,0,0]=1 154 B15R0.222 CC(C)CCCCCCCCCC[C@H](C)O CNP0353141.1 [0,1,0,0,0,0|1,0,1]=3 155 B15R0.222 NC(=O)CCCCCCCCCCC(=O)N CNP0209978.0 [0,1,0,0,0,0|2,0,1]=4 156 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O CNP0293008.0 [0,1,0,0,0,0|1,0,1]=3 157 B15R0.247 CCC(C)CCCCCCCCCC(=O)C CNP0353149.0 [0,1,0,0,0,0|1,0,0]=2 158 B15R0.247 CC[C@@H](C)CCCCCCCCCC(=O)O CNP0191743.2 [0,1,0,0,0,0|0,0,0]=1 159 B15R0.247 CC[C@@H](O)/C=C/CCCCCCCC(=O)O CNP0151189.1 [0,1,0,0,0,0|0,0,2]=3 160 B15R0.247 CC[C@H](C)CCCCCCCCCC(=O)O CNP0191743.1 [0,1,0,0,0,0|0,0,0]=1 161 B15R0.247 CC[C@H](O)/C=C/CCCCCCCC(=O)O CNP0151189.2 [0,1,0,0,0,0|0,0,2]=3 162 B15R0.247 O=C(O)CCCCCCCCC[C@@H](O)CO CNP0168722.1 [0,1,0,0,0,0|1,0,0]=2 163 B15R0.252 CCCCCCCCCCCCS(=O)(=O)O CNP0533311.0 [0,1,0,0,0,0|1,0,0]=2 164 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C CNP0590333.0 [0,1,0,0,0,0|3,0,0]=4 165 B15R0.252 CCCCCCCCCCCC[N+](C)(C)[O-] CNP0560879.0 [0,1,0,0,0,0|2,0,1]=4 166 B15R0.252 O=P(O)(O)CCCCCCCCCCCO CNP0496595.0 [0,1,0,0,0,0|2,0,0]=3 167 B15R0.367 CCCCCCCCC(=O)CCSC(=O)C CNP0246375.0 [0,1,0,0,0,0|2,0,1]=4 168 B15R1.106 CCCCCCCCC1CCCC(=O)O1 CNP0174932.0 [0,0,0,1,0,0|0,0,0]=1 169 B15R1.1941 CCCCCCC[C@@H]1C[C@H]1CCC(=O)O CNP0253160.1 [0,0,0,1,0,0|0,0,0]=1 170 B15R1.5737 C[C@@H]1CCCCCCCCCCC(=O)C1 CNP0104860.1 [0,0,0,1,0,0|1,0,0]=2 171 B15R1.5737 C[C@@H]1CCCCCCCCCCC(=O)O1 CNP0233115.1 [0,0,0,1,0,0|0,0,0]=1 172 B15R1.6595 O=C1C=CCCCCCCCCCCC1 CNP0071987.0 [0,0,0,1,0,0|1,0,1]=3 173 B15R1.6595 O=C1CCCC=CCCCCCCCC1 CNP0321790.0 [0,0,0,1,0,0|1,0,2]=4 174 B15R1.6595 O=C1CCCCCCCCCCCCC1 CNP0211498.0 [0,0,0,1,0,0|1,0,0]=2 175 B15R1.6595 O=C1CCCCCCCCCCCCO1 CNP0407259.0 [0,0,0,1,0,0|0,0,0]=1 176 B15R1.11847 CCCCCC[C@H]1C[C@H]1CCCC(=O)O CNP0431634.1 [0,0,0,1,0,0|0,0,0]=1 177 B15R1.11891 CCCCCC/C=C\C[C@@H]1C[C@H]1C(=O)O CNP0071923.1 [0,0,0,1,0,0|0,0,2]=3 178 B12R0.5 C=CCCCCCCCCCCC CNP0324663.0 [2,0,0,0,0,0|0,0,1]=3 179 B12R0.5 C=CCCCCCCCCCCO CNP0237635.0 [2,0,0,0,0,0|0,0,2]=4 180 B12R0.5 CC#CCCCCCCCCCO CNP0563211.0 [2,0,0,0,0,0|0,0,2]=4 181 B12R0.5 CC=CCCCCCCCCCC CNP0504957.0 [2,0,0,0,0,0|1,0,1]=4 182 B12R0.5 CC=CCCCCCCCCCO CNP0177650.0 [2,0,0,0,0,0|0,0,2]=4 183 B12R0.5 CCC=CCCCCCCCC=O CNP0222286.0 [2,0,0,0,0,0|0,0,2]=4 184 B12R0.5 CCC=CCCCCCCCCO CNP0133783.0 [2,0,0,0,0,0|0,0,2]=4 185 B12R0.5 CCCC=CCCCCCCCO CNP0274278.0 [2,0,0,0,0,0|0,0,2]=4 186 B12R0.5 CCCCC=CCCCCCC=O CNP0318145.0 [2,0,0,0,0,0|0,0,2]=4 187 B12R0.5 CCCCC=CCCCCCCO CNP0260521.0 [2,0,0,0,0,0|0,0,2]=4 188 B12R0.5 CCCCCC=CCCCCC=O CNP0590554.0 [2,0,0,0,0,0|0,0,2]=4 189 B12R0.5 CCCCCCC=CCCCC=O CNP0205630.0 [2,0,0,0,0,0|0,0,2]=4 190 B12R0.5 CCCCCCCCC=CCCO CNP0107866.0 [2,0,0,0,0,0|0,0,2]=4 191 B12R0.5 CCCCCCCCCC=CC=O CNP0141647.0 [2,0,0,0,0,0|0,0,2]=4 192 B12R0.5 CCCCCCCCCC=CCO CNP0254277.0 [2,0,0,0,0,0|0,0,2]=4 193 B12R0.5 CCCCCCCCCCC=CO CNP0086116.0 [2,0,0,0,0,0|0,0,1]=3 194 B12R0.5 CCCCCCCCCCCC#N CNP0071944.0 [2,0,0,0,0,0|1,0,1]=4 195 B12R0.5 CCCCCCCCCCCC=O CNP0211650.0 [2,0,0,0,0,0|0,0,0]=2 196 B12R0.5 CCCCCCCCCCCCC CNP0251262.0 [2,0,0,0,0,0|0,0,1]=3 197 B12R0.5 CCCCCCCCCCCCO CNP0281602.0 [2,0,0,0,0,0|0,0,0]=2 198 B12R0.5 CCCCCCCCCCOC=O CNP0485887.0 [2,0,0,0,0,0|1,0,0]=3 199 B12R0.5 CCCCCCCCCCOCO CNP0587051.0 [2,0,0,0,0,0|1,0,0]=3 200 B12R0.5 CCCCCCCCCOCCC CNP0508454.0 [2,0,0,0,0,0|1,0,1]=4 201 B12R0.5 CCCCCCNCCCCCC CNP0462839.0 [2,0,0,0,0,0|1,0,1]=4 202 B12R0.5 CCCCCCOCCCCCC CNP0492138.0 [2,0,0,0,0,0|1,0,1]=4 203 B12R0.5 OCCCCCCCCCCCO CNP0368503.0 [2,0,0,0,0,0|1,0,0]=3 204 B12R0.234 C#CCCCCCCCCC(=O)O CNP0190624.0 [2,0,0,0,0,0|0,0,2]=4 205 B12R0.234 C=CCCCCCCCCC(=O)O CNP0198208.0 [2,0,0,0,0,0|0,0,2]=4 206 B12R0.234 CC#CCCCCCCCC(=O)O CNP0171980.0 [2,0,0,0,0,0|0,0,2]=4 207 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [2,0,0,0,0,0|0,0,2]=4 208 B12R0.234 CCCCCCCCCCC(=O)C CNP0168691.0 [2,0,0,0,0,0|1,0,0]=3 209 B12R0.234 CCCCCCCCCCC(=O)O CNP0154912.0 [2,0,0,0,0,0|0,0,0]=2 210 B12R0.234 CCCCCCCCCCC(O)O CNP0076204.0 [2,0,0,0,0,0|0,0,2]=4 211 B12R0.234 CCCCCCCCCC[C@H](C)O CNP0327823.1 [2,0,0,0,0,0|1,0,1]=4 212 B12R0.234 CCCCCCCCCOC(=O)C CNP0250890.0 [2,0,0,0,0,0|2,0,0]=4 213 B12R0.234 O=C(O)CCCCCCCCCO CNP0294307.0 [2,0,0,0,0,0|1,0,0]=3 214 B14R0.2 CCCCCCCC(=O)CCCC(=O)O CNP0193723.0 [1,1,0,0,0,0|0,0,1]=3 215 B14R0.2 CCCCCCCC(C)CCCC(=O)C CNP0524173.0 [1,1,0,0,0,0|1,0,0]=3 216 B14R0.2 CCCCCCCC(O)CCCC(=O)O CNP0411141.0 [1,1,0,0,0,0|0,0,0]=2 217 B14R0.68 CC(=O)CCCCCCCCCC(=O)O CNP0305653.0 [1,1,0,0,0,0|0,0,1]=3 218 B14R0.68 CC(C)CCCCCCCC=CC(=O)O CNP0304027.0 [1,1,0,0,0,0|0,0,2]=4 219 B14R0.68 CC(C)CCCCCCCCCC(=O)O CNP0314744.0 [1,1,0,0,0,0|0,0,0]=2 220 B14R0.68 CC(C)CCCCCCCCCC(C)O CNP0610273.0 [1,1,0,0,0,0|1,0,1]=4 221 B14R0.68 C[C@H](O)CCCCCCCCCC(=O)O CNP0271260.1 [1,1,0,0,0,0|0,0,0]=2 222 B14R0.68 O=C(O)CCCCCCCCCC(=O)O CNP0292095.0 [1,1,0,0,0,0|1,0,1]=4 223 B14R0.88 CCCCCCCCCCNS(=O)(=O)O CNP0476658.0 [1,1,0,0,0,0|2,0,0]=4 224 B14R0.88 CCCCCCCCCCOS(=O)(=O)O CNP0421232.0 [1,1,0,0,0,0|2,0,0]=4 225 B14R0.153 CCCC[C@H](O)CCCCCCC(=O)O CNP0106337.1 [1,1,0,0,0,0|0,0,0]=2 226 B14R0.231 CCCCC[C@H](O)CCCCCC(=O)O CNP0102854.1 [1,1,0,0,0,0|0,0,0]=2 227 B14R0.305 CCC(C)CCCCCCCCC(=O)C CNP0210226.0 [1,1,0,0,0,0|1,0,0]=3 228 B14R0.305 CC[C@@H](C)CCCCCCCCC(=O)O CNP0277749.2 [1,1,0,0,0,0|0,0,0]=2 229 B14R0.305 CC[C@H](C)CCCCCCCCC(=O)O CNP0277749.1 [1,1,0,0,0,0|0,0,0]=2 230 B14R0.305 CC[C@H](O)CCCCCCCCC(=O)O CNP0298538.1 [1,1,0,0,0,0|0,0,0]=2 231 B14R0.305 COC(=O)CCCCCCCCC(=O)O CNP0362278.0 [1,1,0,0,0,0|1,0,1]=4 232 B14R0.337 C=CC(=O)CCCCCCCCCCC CNP0334014.0 [1,1,0,0,0,0|1,0,0]=3 233 B14R0.337 CCC=CCCCCCCCC(=O)OC CNP0086356.0 [1,1,0,0,0,0|0,0,2]=4 234 B14R0.337 CCCCCCCCCC=CC(=O)OC CNP0281832.0 [1,1,0,0,0,0|0,0,2]=4 235 B14R0.337 CCCCCCCCCCCC(=O)CC CNP0260208.0 [1,1,0,0,0,0|1,0,0]=3 236 B14R0.337 CCCCCCCCCCCC(=O)CO CNP0162178.0 [1,1,0,0,0,0|0,0,0]=2 237 B14R0.337 CCCCCCCCCCCC(=O)OC CNP0307835.0 [1,1,0,0,0,0|0,0,0]=2 238 B14R0.337 CCCCCCCCCCOC(=O)CBr CNP0132290.0 [1,1,0,0,0,0|2,0,0]=4 239 B14R0.337 CCCCCCCCCCOC(=O)CC CNP0097861.0 [1,1,0,0,0,0|2,0,0]=4 240 B14R0.337 COC(=O)CCCCCCCCCC=O CNP0314293.0 [1,1,0,0,0,0|1,0,1]=4 241 B14R0.340 CCCCCCCCCCC(C)C(=O)C CNP0499802.0 [1,1,0,0,0,0|1,0,0]=3 242 B14R0.340 CCCCCCCCCC[C@@H](C)C(=O)O CNP0172373.1 [1,1,0,0,0,0|0,0,0]=2 243 B14R0.340 CCCCCCCCCC[C@@H](O)C(=O)O CNP0195070.1 [1,1,0,0,0,0|0,0,0]=2 244 B14R0.340 CCCCCCCCCC[C@H](O)C(=O)O CNP0195070.2 [1,1,0,0,0,0|0,0,0]=2 245 B14R0.340 CSCCCCCCCCC(=O)C(=O)O CNP0295831.0 [1,1,0,0,0,0|1,0,1]=4 246 B14R0.340 CSCCCCCCCC[C@H](N)C(=O)O CNP0359900.1 [1,1,0,0,0,0|1,0,0]=3 247 B14R0.340 NCCCCNCCCC[C@H](N)C(=O)O CNP0157534.1 [1,1,0,0,0,0|2,0,0]=4 248 B14R0.344 CCCCCCCCC(=O)NCC(=O)O CNP0001598.0 [1,1,0,0,0,0|1,0,1]=4 249 B14R0.344 CCCCCCCCC(C)CCC(=O)O CNP0598565.0 [1,1,0,0,0,0|0,0,0]=2 250 B14R0.344 CCCCCCCC[C@@H](O)C#CC(=O)O CNP0458691.1 [1,1,0,0,0,0|0,0,2]=4 251 B14R0.344 CCCCCCCC[C@@H](O)CCC(=O)O CNP0550827.1 [1,1,0,0,0,0|0,0,0]=2 252 B14R0.344 CCCCCCCC[C@H](O)C#CC(=O)O CNP0458691.2 [1,1,0,0,0,0|0,0,2]=4 253 B14R0.344 CCCCCCCC[C@H](O)CCC(=O)O CNP0550827.2 [1,1,0,0,0,0|0,0,0]=2 254 B14R0.391 CCCCC/C=C\CC[C@@H](O)CC(=O)O CNP0299790.1 [1,1,0,0,0,0|0,0,2]=4 255 B14R0.391 CCCCCC/C=C\C[C@@H](O)CC(=O)O CNP0293461.1 [1,1,0,0,0,0|0,0,2]=4 256 B14R0.391 CCCCCC/C=C\C[C@H](O)CC(=O)O CNP0293461.2 [1,1,0,0,0,0|0,0,2]=4 257 B14R0.391 CCCCCCC=CCC(C)CC(=O)O CNP0071919.0 [1,1,0,0,0,0|0,0,2]=4 258 B14R0.391 CCCCCCCCCC(=O)CC(=O)O CNP0069141.0 [1,1,0,0,0,0|0,0,1]=3 259 B14R0.391 CCCCCCCCC[C@@H](C)OC(=O)C CNP0165028.2 [1,1,0,0,0,0|2,0,0]=4 260 B14R0.391 CCCCCCCCC[C@@H](O)CC(=O)O CNP0220266.1 [1,1,0,0,0,0|0,0,0]=2 261 B14R0.391 CCCCCCCCC[C@H](C)OC(=O)C CNP0165028.1 [1,1,0,0,0,0|2,0,0]=4 262 B14R0.391 CCCCCCCCC[C@H](O)CC(=O)O CNP0220266.2 [1,1,0,0,0,0|0,0,0]=2 263 B14R0.432 CCCC(C)CCCCCCCC(=O)O CNP0278697.0 [1,1,0,0,0,0|0,0,0]=2 264 B14R0.432 CCC[C@@H](C)CCCCCCCC(=O)C CNP0218330.1 [1,1,0,0,0,0|1,0,0]=3 265 B14R0.432 CCC[C@H](O)CCCCCCCC(=O)O CNP0325800.1 [1,1,0,0,0,0|0,0,0]=2 266 B14R0.432 CCOC(=O)CCCCCCCC(=O)O CNP0155089.0 [1,1,0,0,0,0|1,0,1]=4 267 B14R0.2224 CCCCCC[C@H](O)CCCCC(=O)O CNP0295458.1 [1,1,0,0,0,0|0,0,0]=2 268 B14R0.145 CCCCCCCC(O)CCCCCC CNP0151041.0 [1,1,0,0,0,0|1,0,1]=4 269 B14R0.145 CCCCCCC[C@@H](C)CCCCCC CNP0316250.1 [1,1,0,0,0,0|1,0,1]=4 270 B14R0.145 CCCCCCC[C@H](C)CCCCCC CNP0316250.2 [1,1,0,0,0,0|1,0,1]=4 271 B14R0.179 CCCCCCCC[C@H](O)CCCCO CNP0017921.1 [1,1,0,0,0,0|0,0,1]=3 272 B14R0.392 C#CCCCCCCCCCCCCC CNP0076909.0 [1,1,0,0,0,0|1,0,1]=4 273 B14R0.392 C=CC=CCCCCCCCCCCC CNP0497045.0 [1,1,0,0,0,0|1,0,1]=4 274 B14R0.392 C=CCCCC=CCCCCCCCC CNP0286885.0 [1,1,0,0,0,0|1,0,1]=4 275 B14R0.392 C=CCCCCCC=CCCCCCC CNP0273619.0 [1,1,0,0,0,0|1,0,1]=4 276 B14R0.392 C=CCCCCCCCCCCCC=O CNP0321421.0 [1,1,0,0,0,0|0,0,1]=3 277 B14R0.392 C=CCCCCCCCCCCCCC CNP0103453.0 [1,1,0,0,0,0|1,0,0]=3 278 B14R0.392 CC=CCCCCCCCCCCCC CNP0134200.0 [1,1,0,0,0,0|1,0,0]=3 279 B14R0.392 CC=CCCCCCCCCCCCO CNP0292605.0 [1,1,0,0,0,0|0,0,2]=4 280 B14R0.392 CCC#CCCCCCCCCCCO CNP0520588.0 [1,1,0,0,0,0|0,0,2]=4 281 B14R0.392 CCC=CCCCCCCCCCC=O CNP0381172.0 [1,1,0,0,0,0|0,0,1]=3 282 B14R0.392 CCC=CCCCCCCCCCCO CNP0175758.0 [1,1,0,0,0,0|0,0,2]=4 283 B14R0.392 CCC=CCCCCCCCCOC=O CNP0311687.0 [1,1,0,0,0,0|0,0,2]=4 284 B14R0.392 CCCC=CCCCCCCCCCO CNP0246964.0 [1,1,0,0,0,0|0,0,2]=4 285 B14R0.392 CCCCC=CCCCCCCCC=O CNP0270269.0 [1,1,0,0,0,0|0,0,1]=3 286 B14R0.392 CCCCC=CCCCCCCCCO CNP0209176.0 [1,1,0,0,0,0|0,0,2]=4 287 B14R0.392 CCCCCC=CCCCCCCCO CNP0168751.0 [1,1,0,0,0,0|0,0,2]=4 288 B14R0.392 CCCCCCC=CCCCCCC=O CNP0173800.0 [1,1,0,0,0,0|0,0,1]=3 289 B14R0.392 CCCCCCC=CCCCCCCO CNP0276887.0 [1,1,0,0,0,0|0,0,2]=4 290 B14R0.392 CCCCCCCC=CCCCCCO CNP0239348.0 [1,1,0,0,0,0|0,0,2]=4 291 B14R0.392 CCCCCCCCC=CCCCC=O CNP0381300.0 [1,1,0,0,0,0|0,0,1]=3 292 B14R0.392 CCCCCCCCC=CCCCCO CNP0222511.0 [1,1,0,0,0,0|0,0,2]=4 293 B14R0.392 CCCCCCCCCCC#CCCO CNP0573718.0 [1,1,0,0,0,0|0,0,2]=4 294 B14R0.392 CCCCCCCCCCC=CCCO CNP0306792.0 [1,1,0,0,0,0|0,0,2]=4 295 B14R0.392 CCCCCCCCCCCC=CC=O CNP0054792.0 [1,1,0,0,0,0|0,0,1]=3 296 B14R0.392 CCCCCCCCCCCC=CCO CNP0358958.0 [1,1,0,0,0,0|0,0,1]=3 297 B14R0.392 CCCCCCCCCCCCC#CO CNP0075343.0 [1,1,0,0,0,0|0,0,1]=3 298 B14R0.392 CCCCCCCCCCCCCC#N CNP0173573.0 [1,1,0,0,0,0|1,0,1]=4 299 B14R0.392 CCCCCCCCCCCCCC=O CNP0200880.0 [1,1,0,0,0,0|0,0,0]=2 300 B14R0.392 CCCCCCCCCCCCCCC CNP0314547.0 [1,1,0,0,0,0|1,0,1]=4 301 B14R0.392 CCCCCCCCCCCCCCCl CNP0509321.0 [1,1,0,0,0,0|1,0,1]=4 302 B14R0.392 CCCCCCCCCCCCCCI CNP0576364.0 [1,1,0,0,0,0|1,0,1]=4 303 B14R0.392 CCCCCCCCCCCCCCN CNP0079841.0 [1,1,0,0,0,0|1,0,1]=4 304 B14R0.392 CCCCCCCCCCCCCCO CNP0209818.0 [1,1,0,0,0,0|0,0,1]=3 305 B14R0.392 CCCCCCCCCCCCCC[11CH3] CNP0480041.0 [1,1,0,0,0,0|1,0,1]=4 306 B14R0.392 CCCCCCCCOCCCCCC CNP0511916.0 [1,1,0,0,0,0|1,0,1]=4 307 B14R0.392 O=CCCCCCCCCCCCC=O CNP0157180.0 [1,1,0,0,0,0|0,0,1]=3 308 B14R0.392 OCCCCCCCCCCCCCO CNP0197941.0 [1,1,0,0,0,0|0,0,1]=3 309 B14R0.393 CCCCCCCCCCC(C)CCC CNP0003453.0 [1,1,0,0,0,0|1,0,1]=4 310 B14R0.393 CCCCCCCCCC[C@@H](O)CCC CNP0076547.2 [1,1,0,0,0,0|1,0,1]=4 311 B14R0.393 CCCCCCCCCC[C@H](O)CCC CNP0076547.1 [1,1,0,0,0,0|1,0,1]=4 312 B14R0.493 CCCCCCCCC[C@H](C)CCCC CNP0076142.1 [1,1,0,0,0,0|1,0,1]=4 313 B14R0.493 CCCC[C@H](O)CCCCCCCCO CNP0388153.1 [1,1,0,0,0,0|0,0,1]=3 314 B16R0.60 O=C(O)CCCCCCCC[C@@H](O)CC(=O)O CNP0324299.1 [0,2,0,0,0,0|1,0,1]=4 315 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)O CNP0069770.0 [0,2,0,0,0,0|0,0,0]=2 316 B16R0.302 CCCCCCCCCCC[C@@H](O)CC(=O)O CNP0114637.1 [0,2,0,0,0,0|0,0,0]=2 317 B16R0.302 CCCCCCCCCCC[C@H](C)OC(=O)C CNP0269231.1 [0,2,0,0,0,0|1,0,0]=3 318 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)C CNP0427680.1 [0,2,0,0,0,0|1,0,0]=3 319 B16R0.302 CCCCCCCCCCC[C@H](O)CC(=O)O CNP0114637.2 [0,2,0,0,0,0|0,0,0]=2 320 B16R0.1182 CCCCCCCCCC[C@H](C)CC(=O)OC CNP0221878.1 [0,2,0,0,0,0|0,0,0]=2 321 B16R0.1182 CCCCCCCCCC[C@H](C)OC(=O)CC CNP0115872.1 [0,2,0,0,0,0|2,0,0]=4 322 B16R0.1203 CCCCCCCCC[C@H](O)[C@@H](C)NC(=O)C CNP0333032.1 [0,2,0,0,0,0|2,0,0]=4 323 B16R0.61 CCCCCCCCCCCCC(=O)CCC CNP0585123.0 [0,2,0,0,0,0|1,0,0]=3 324 B16R0.61 CCCCCCCCCCCCC(=O)OCC CNP0154229.0 [0,2,0,0,0,0|0,0,0]=2 325 B16R0.61 CCCCCCCCCCCCC(O)CCC CNP0221367.0 [0,2,0,0,0,0|1,0,1]=4 326 B16R0.61 CCOC(=O)CCCCCCCCCCC=O CNP0602430.0 [0,2,0,0,0,0|1,0,1]=4 327 B16R0.70 CCCCCCCCCCC[C@@H](C)C(=O)OC CNP0222948.1 [0,2,0,0,0,0|0,0,0]=2 328 B16R0.164 CC[C@@H](C)CCCCCCCCCC(=O)OC CNP0150975.2 [0,2,0,0,0,0|0,0,0]=2 329 B16R0.164 CC[C@H](C)CCCCCCCCCC(=O)OC CNP0150975.1 [0,2,0,0,0,0|0,0,0]=2 330 B16R0.164 CC[C@H](C)CCCCCCCCC[C@H](O)CO CNP0371800.1 [0,2,0,0,0,0|0,0,2]=4 331 B16R0.164 COC(=O)CCCCCCCCCC(=O)OC CNP0276425.0 [0,2,0,0,0,0|1,0,1]=4 332 B16R0.165 CCC(=O)CCCCCCCCCCC(C)C CNP0333793.0 [0,2,0,0,0,0|1,0,0]=3 333 B16R0.165 CCC(C)CCCC=CCCCCCC(=O)C CNP0353161.0 [0,2,0,0,0,0|1,0,1]=4 334 B16R0.165 CCC(C)CCCCCCC=CCCC(=O)O CNP0219477.0 [0,2,0,0,0,0|0,0,1]=3 335 B16R0.165 CC[C@@H](C)CCCCCCCCCCC(=O)O CNP0162278.2 [0,2,0,0,0,0|0,0,0]=2 336 B16R0.165 CC[C@@H](C)CCCCCCCCCOC(=O)C CNP0202773.1 [0,2,0,0,0,0|1,0,0]=3 337 B16R0.165 CC[C@H](C)CCCCCCCCCCC(=O)O CNP0162278.1 [0,2,0,0,0,0|0,0,0]=2 338 B16R0.165 CC[C@H](C)CCCCCCCCCOC(=O)C CNP0202773.2 [0,2,0,0,0,0|1,0,0]=3 339 B16R0.165 COC(=O)CCCCCCCCCCC(=O)O CNP0162114.0 [0,2,0,0,0,0|0,0,1]=3 340 B16R0.165 COC(=O)CCCCCCCCCCC(C)C CNP0385887.0 [0,2,0,0,0,0|0,0,0]=2 341 B16R0.221 C=CC(=O)OCCCCCCCCCCCC CNP0018126.0 [0,2,0,0,0,0|1,0,0]=3 342 B16R0.221 C=CCCCCCCCCCCCC(=O)C=C CNP0155328.0 [0,2,0,0,0,0|1,0,1]=4 343 B16R0.221 CCC=C=CCCCCCCCCC(=O)OC CNP0533247.0 [0,2,0,0,0,0|0,0,2]=4 344 B16R0.221 CCCCC=CCCCCCCCC(=O)OC CNP0150160.0 [0,2,0,0,0,0|0,0,1]=3 345 B16R0.221 CCCCCCCCCC=CCCC(=O)OC CNP0195665.0 [0,2,0,0,0,0|0,0,1]=3 346 B16R0.221 CCCCCCCCCCCC=CC(=O)OC CNP0295487.0 [0,2,0,0,0,0|0,0,1]=3 347 B16R0.221 CCCCCCCCCCCCC=C(Cl)C=O CNP0233432.0 [0,2,0,0,0,0|1,0,0]=3 348 B16R0.221 CCCCCCCCCCCCCC(=O)CC CNP0113176.0 [0,2,0,0,0,0|1,0,0]=3 349 B16R0.221 CCCCCCCCCCCCCC(=O)NN CNP0308205.0 [0,2,0,0,0,0|1,0,0]=3 350 B16R0.221 CCCCCCCCCCCCCC(=O)OC CNP0250171.0 [0,2,0,0,0,0|0,0,0]=2 351 B16R0.221 CCCCCCCCCCCCC[C@H](C)CO CNP0371129.1 [0,2,0,0,0,0|1,0,1]=4 352 B16R0.221 CCCCCCCCCCCCOC(=O)CC CNP0245605.0 [0,2,0,0,0,0|1,0,0]=3 353 B16R0.221 COC(=O)CCCCC=CCCCCCCO CNP0196105.0 [0,2,0,0,0,0|0,0,2]=4 354 B16R0.221 COC(=O)CCCCCCCCCCCC=O CNP0018335.0 [0,2,0,0,0,0|0,0,1]=3 355 B16R0.224 CCCCCCCCCCCCC(=O)C(=O)O CNP0589314.0 [0,2,0,0,0,0|0,0,0]=2 356 B16R0.224 CCCCCCCCCCCCC(C)C(=O)C CNP0496216.0 [0,2,0,0,0,0|1,0,0]=3 357 B16R0.224 CCCCCCCCCCCCC(C)C(=O)O CNP0602347.0 [0,2,0,0,0,0|0,0,0]=2 358 B16R0.224 CCCCCCCCCCCC[C@@H](O)C(=O)O CNP0115920.2 [0,2,0,0,0,0|0,0,0]=2 359 B16R0.224 CCCCCCCCCCCC[C@H](O)C(=O)O CNP0115920.1 [0,2,0,0,0,0|0,0,0]=2 360 B16R0.806 COC(=O)CCCCCCCC[C@@H](O)CNO CNP0387042.1 [0,2,0,0,0,0|2,0,0]=4 361 B16R0.806 COC(=O)CCCCCCCC[C@H](O)CNO CNP0387042.2 [0,2,0,0,0,0|2,0,0]=4 362 B16R0.2265 CC(C)CCCCCCCCC[C@@H](O)C(=O)O CNP0278293.1 [0,2,0,0,0,0|0,0,0]=2 363 B16R0.2265 N[C@@H](CCCCCCCCCC(=O)O)C(=O)O CNP0320059.2 [0,2,0,0,0,0|1,0,1]=4 364 B16R0.2265 N[C@H](CCCCCCCCCC(=O)O)C(=O)O CNP0320059.1 [0,2,0,0,0,0|1,0,1]=4 365 B16R0.3183 CCCCCCCCCCC(=O)NCC(=O)O CNP0135234.0 [0,2,0,0,0,0|0,0,1]=3 366 B16R0.131 CCCCC(O)CCCCCCCCC(=O)O CNP0106804.0 [0,2,0,0,0,0|0,0,0]=2 367 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)O CNP0241941.0 [0,2,0,0,0,0|0,0,0]=2 368 B16R0.1820 CCCCCCCC[C@H](O)CCCCC(=O)O CNP0378358.1 [0,2,0,0,0,0|0,0,0]=2 369 B16R0.4657 N[C@@H](CCCCCC(=O)O)CCCCC(=O)O CNP0185407.2 [0,2,0,0,0,0|1,0,1]=4 370 B16R0.4657 N[C@H](CCCCCC(=O)O)CCCCC(=O)O CNP0185407.1 [0,2,0,0,0,0|1,0,1]=4 371 B16R0.41 CCC[C@H](C)CCCCCCCCCC(=O)O CNP0018298.1 [0,2,0,0,0,0|0,0,0]=2 372 B16R0.41 CCC[C@H](O)CCCCCCCCCC(=O)O CNP0244528.1 [0,2,0,0,0,0|0,0,0]=2 373 B16R0.114 CCCCCCCC(=O)CCCCCC(=O)O CNP0531578.0 [0,2,0,0,0,0|0,0,0]=2 374 B16R0.114 CCCCCCCC(O)CCCCCC(=O)O CNP0296318.0 [0,2,0,0,0,0|0,0,0]=2 375 B16R0.114 CCCCCCC[C@H](O)C/C=C/CCC(=O)O CNP0153280.1 [0,2,0,0,0,0|0,0,1]=3 376 B16R0.177 CCCCC=CC(C)CCCCCCC(=O)O CNP0333080.0 [0,2,0,0,0,0|0,0,1]=3 377 B16R0.274 C=CCCCCCCCCCCCCC(=O)O CNP0603181.0 [0,2,0,0,0,0|0,0,0]=2 378 B16R0.274 CC(=O)CCCCCCCCCCCCCS CNP0302286.0 [0,2,0,0,0,0|1,0,0]=3 379 B16R0.274 CC=CCCCCCCCCCCOC(=O)C CNP0169833.0 [0,2,0,0,0,0|1,0,1]=4 380 B16R0.274 CCC=CCCCCCCCCCOC(=O)C CNP0121501.0 [0,2,0,0,0,0|1,0,1]=4 381 B16R0.274 CCCC=CCCCCCCCCCC(=O)C CNP0353158.0 [0,2,0,0,0,0|1,0,0]=3 382 B16R0.274 CCCCC#CCC#CCCCCCC(=O)O CNP0165671.0 [0,2,0,0,0,0|0,0,2]=4 383 B16R0.274 CCCCC=CCCCC=CCCCC(=O)O CNP0199520.0 [0,2,0,0,0,0|0,0,2]=4 384 B16R0.274 CCCCC=CCCCCCCCCC(=O)O CNP0380914.0 [0,2,0,0,0,0|0,0,0]=2 385 B16R0.274 CCCCC=CCCCCCCCOC(=O)C CNP0226940.0 [0,2,0,0,0,0|1,0,1]=4 386 B16R0.274 CCCCCC=CCCCCCCCC(=O)C CNP0353143.0 [0,2,0,0,0,0|1,0,0]=3 387 B16R0.274 CCCCCC=CCCCCCCCC(=O)O CNP0117637.0 [0,2,0,0,0,0|0,0,0]=2 388 B16R0.274 CCCCCCC=CCC#CCCCC(=O)O CNP0389780.0 [0,2,0,0,0,0|0,0,2]=4 389 B16R0.274 CCCCCCCC=CCCCCCC(=O)C CNP0147970.0 [0,2,0,0,0,0|1,0,0]=3 390 B16R0.274 CCCCCCCC=CCCCCCC(=O)O CNP0126394.0 [0,2,0,0,0,0|0,0,0]=2 391 B16R0.274 CCCCCCCCC=CCCCCC(=O)O CNP0402096.0 [0,2,0,0,0,0|0,0,0]=2 392 B16R0.274 CCCCCCCCC=CCCCOC(=O)C CNP0231014.0 [0,2,0,0,0,0|1,0,1]=4 393 B16R0.274 CCCCCCCCCC=CCCCC(=O)O CNP0129624.0 [0,2,0,0,0,0|0,0,0]=2 394 B16R0.274 CCCCCCCCCCC=CC=CC(=O)O CNP0003419.0 [0,2,0,0,0,0|0,0,2]=4 395 B16R0.274 CCCCCCCCCCC=CCCC(=O)O CNP0133125.0 [0,2,0,0,0,0|0,0,0]=2 396 B16R0.274 CCCCCCCCCCCCC=CC(=O)O CNP0134714.0 [0,2,0,0,0,0|0,0,0]=2 397 B16R0.274 CCCCCCCCCCCCCC=C(C)C CNP0309089.0 [0,2,0,0,0,0|2,0,0]=4 398 B16R0.274 CCCCCCCCCCCCCCC(=O)C CNP0199817.0 [0,2,0,0,0,0|1,0,0]=3 399 B16R0.274 CCCCCCCCCCCCCCC(=O)N CNP0205548.0 [0,2,0,0,0,0|1,0,0]=3 400 B16R0.274 CCCCCCCCCCCCCCC(=O)O CNP0296248.0 [0,2,0,0,0,0|0,0,0]=2 401 B16R0.274 CCCCCCCCCCCCCCC(=O)S CNP0085720.0 [0,2,0,0,0,0|0,1,0]=3 402 B16R0.274 CCCCCCCCCCCCCC[C@@H](C)O CNP0254880.2 [0,2,0,0,0,0|1,0,1]=4 403 B16R0.274 CCCCCCCCCCCCCC[C@H](C)O CNP0254880.1 [0,2,0,0,0,0|1,0,1]=4 404 B16R0.274 CCCCCCCCCCCCCNC(=O)C CNP0572123.0 [0,2,0,0,0,0|1,0,0]=3 405 B16R0.274 CCCCCCCCCCCCCOC(=O)C CNP0609112.0 [0,2,0,0,0,0|1,0,0]=3 406 B16R0.274 NCCCCCCCCCCCCCC(=O)O CNP0222186.0 [0,2,0,0,0,0|0,0,0]=2 407 B16R0.274 O=C(O)CCCCCCCCCC=CCCO CNP0264070.0 [0,2,0,0,0,0|0,0,1]=3 408 B16R0.274 O=C(O)CCCCCCCCCCCCCO CNP0138691.0 [0,2,0,0,0,0|0,0,0]=2 409 B16R0.297 C=C(C=CCCCCCCC)CCCC(=O)O CNP0517778.0 [0,2,0,0,0,0|0,0,2]=4 410 B16R0.297 CCCCCCCCCC(=CCCC(=O)O)C CNP0103835.0 [0,2,0,0,0,0|0,0,1]=3 411 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CNP0020932.0 [0,2,0,0,0,0|1,0,0]=3 412 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)O CNP0515848.0 [0,2,0,0,0,0|1,0,0]=3 413 B16R0.1188 CCCCCCCCCCCCOS(=O)(=O)[O-] CNP0485395.0 [0,2,0,0,0,0|1,0,1]=4 414 B16R0.1188 NCCCCCCCCCCCCP(=O)(O)O CNP0481879.0 [0,2,0,0,0,0|1,0,0]=3 415 B16R0.3288 CC(=O)CCCCCC=CCCCCC(C)C CNP0342925.0 [0,2,0,0,0,0|1,0,1]=4 416 B16R0.3288 CC(=O)CCCCCCCC=CCCC(C)C CNP0353145.0 [0,2,0,0,0,0|1,0,1]=4 417 B16R0.3288 CC(C)CCC=CCCCCCCCC(=O)O CNP0018737.0 [0,2,0,0,0,0|0,0,1]=3 418 B16R0.3288 CC(C)CCCCC=CCCCCCC(=O)O CNP0017541.0 [0,2,0,0,0,0|0,0,1]=3 419 B16R0.3288 CC(C)CCCCCCCC=CCCC(=O)O CNP0018516.0 [0,2,0,0,0,0|0,0,1]=3 420 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)N CNP0072512.0 [0,2,0,0,0,0|1,0,0]=3 421 B16R0.3288 CC(C)CCCCCCCCCCCC(=O)O CNP0240509.0 [0,2,0,0,0,0|0,0,0]=2 422 B16R0.3288 CC(O)CCCCCCCCCCCC(=O)O CNP0081935.0 [0,2,0,0,0,0|0,0,0]=2 423 B16R0.3288 O=C(O)CCCCCCCCCCCC(=O)O CNP0346637.0 [0,2,0,0,0,0|0,0,1]=3 424 B16R0.3288 O=C(O)CCCCCCCCCCOC(=O)S CNP0567309.0 [0,2,0,0,0,0|1,0,1]=4 425 B16R0.331 N[C@@H](CCCCCCC(=O)O)CCCC(=O)O CNP0365806.2 [0,2,0,0,0,0|1,0,1]=4 426 B16R0.331 N[C@H](CCCCCCC(=O)O)CCCC(=O)O CNP0365806.1 [0,2,0,0,0,0|1,0,1]=4 427 B16R0.2309 CC(=O)NCCCCCCCCCC(C)(C)O CNP0263638.0 [0,2,0,0,0,0|2,0,0]=4 428 B14R1.26 CCCCCCC[C@@H]1CC=CC(=O)O1 CNP0175844.1 [1,0,0,1,0,0|0,0,2]=4 429 B14R1.26 CCCCCCC[C@H]1CCCC(=O)O1 CNP0316484.1 [1,0,0,1,0,0|0,0,0]=2 430 B14R1.122 CCCCC/C=C/C[C@@H]1CCC(=O)O1 CNP0208703.2 [1,0,0,1,0,0|0,0,2]=4 431 B14R1.122 CCCCC/C=C/C[C@H]1CCC(=O)O1 CNP0208703.1 [1,0,0,1,0,0|0,0,2]=4 432 B14R1.122 CCCCC/C=C\C[C@@H]1CCC(=O)O1 CNP0208703.3 [1,0,0,1,0,0|0,0,2]=4 433 B14R1.122 CCCCC/C=C\C[C@H]1CCC(=O)O1 CNP0208703.4 [1,0,0,1,0,0|0,0,2]=4 434 B14R1.122 CCCCCC/C=C/[C@@H]1CCC(=O)O1 CNP0179736.1 [1,0,0,1,0,0|0,0,2]=4 435 B14R1.122 CCCCCC/C=C/[C@H]1CCC(=O)O1 CNP0179736.3 [1,0,0,1,0,0|0,0,2]=4 436 B14R1.122 CCCCCC/C=C\[C@H]1CCC(=O)O1 CNP0179736.2 [1,0,0,1,0,0|0,0,2]=4 437 B14R1.122 CCCCCCCC[C@@H]1CCC(=O)O1 CNP0390908.2 [1,0,0,1,0,0|0,0,0]=2 438 B14R1.122 CCCCCCCC[C@H]1CCC(=O)O1 CNP0390908.1 [1,0,0,1,0,0|0,0,0]=2 439 B14R1.241 C[C@H]1O[C@H]1CCCCCCCC(=O)O CNP0262619.1 [1,0,0,1,0,0|1,0,0]=3 440 B14R1.326 CC1CCCCC=CCCCC(=O)O1 CNP0304698.0 [1,0,0,1,0,0|0,0,2]=4 441 B14R1.326 CC1CCCCCCCCCC(=O)O1 CNP0584711.0 [1,0,0,1,0,0|0,0,0]=2 442 B14R1.326 C[C@@H]1C/C=C/CCCCCCC(=O)O1 CNP0142568.1 [1,0,0,1,0,0|0,0,2]=4 443 B14R1.326 C[C@@H]1C/C=C\CCCCCCC(=O)O1 CNP0142568.3 [1,0,0,1,0,0|0,0,2]=4 444 B14R1.326 C[C@@H]1CCCCCC/C=C\CC(=O)O1 CNP0330088.2 [1,0,0,1,0,0|0,0,2]=4 445 B14R1.326 C[C@H]1C/C=C/CCCCCCC(=O)O1 CNP0142568.2 [1,0,0,1,0,0|0,0,2]=4 446 B14R1.326 C[C@H]1CCCC/C=C\CCCC(=O)O1 CNP0304698.1 [1,0,0,1,0,0|0,0,2]=4 447 B14R1.326 C[C@H]1CCCCCC/C=C\CC(=O)O1 CNP0330088.1 [1,0,0,1,0,0|0,0,2]=4 448 B14R1.427 O=C(O)CCCCCC[C@@H]1C=CCC1 CNP0191653.1 [1,0,0,1,0,0|0,0,2]=4 449 B14R1.427 O=C(O)CCCCCC[C@H]1C=CCC1 CNP0191653.2 [1,0,0,1,0,0|0,0,2]=4 450 B14R1.1252 CCCCCCC1CCCCC(=O)O1 CNP0301204.0 [1,0,0,1,0,0|0,0,0]=2 451 B14R1.4408 O=C1CC=CCCCCCCCCO1 CNP0106632.0 [1,0,0,1,0,0|0,0,2]=4 452 B14R1.4408 O=C1CCCCCCCC=CCCO1 CNP0208635.0 [1,0,0,1,0,0|0,0,2]=4 453 B14R1.4408 O=C1CCCCCCCCC=CCO1 CNP0609723.0 [1,0,0,1,0,0|0,0,2]=4 454 B14R1.4408 O=C1CCCCCCCCCCCO1 CNP0320182.0 [1,0,0,1,0,0|0,0,0]=2 455 B14R1.4728 CCCCCCCC[C@@H]1C[C@@H]1C(=O)N CNP0285116.2 [1,0,0,1,0,0|1,0,0]=3 456 B14R1.4728 CCCCCCCC[C@@H]1C[C@H]1C(=O)N CNP0285116.3 [1,0,0,1,0,0|1,0,0]=3 457 B14R1.4728 CCCCCCCC[C@H]1C[C@@H]1C(=O)N CNP0285116.1 [1,0,0,1,0,0|1,0,0]=3 458 B14R1.4728 CCCCCCCC[C@H]1C[C@H]1C(=O)N CNP0285116.4 [1,0,0,1,0,0|1,0,0]=3 459 B14R1.4728 CCCCCCCC[C@H]1O[C@@H]1C(=O)C CNP0337041.1 [1,0,0,1,0,0|2,0,0]=4 460 B14R1.6388 O=C(O)CCCCCCCCC1CC1 CNP0507777.0 [1,0,0,1,0,0|0,0,0]=2 461 B14R1.123 CCCCCCCCC1CCCCC1 CNP0354404.0 [1,0,0,1,0,0|1,0,1]=4 462 B14R1.138 CCCCCCN1CCCCCC1=O CNP0044341.0 [1,0,0,1,0,0|1,0,0]=3 463 B14R1.216 CCCCCC=CCC1CCCC1=O CNP0180932.0 [1,0,0,1,0,0|0,0,2]=4 464 B14R1.247 C[C@@H]1CCCCCCCCCCC1=O CNP0376141.1 [1,0,0,1,0,0|0,0,0]=2 465 B14R1.247 C[C@H]1CCCCCCCCCCC1=O CNP0376141.2 [1,0,0,1,0,0|0,0,0]=2 466 B14R1.904 CCCC1CCCCC1CCCOC CNP0433257.0 [1,0,0,1,0,0|2,0,0]=4 467 B14R1.2874 C1CCCCCCCCCCCCC1 CNP0320476.0 [1,0,0,1,0,0|1,0,1]=4 468 B16R1.642 CCCCCCCC/C=C\[C@H]1CCC(=O)O1 CNP0271665.1 [0,1,0,1,0,0|0,0,1]=3 469 B16R1.642 CCCCCCCCCC[C@@H]1CCC(=O)O1 CNP0302354.1 [0,1,0,1,0,0|0,0,0]=2 470 B16R1.8780 CC1CCCCCCCCCCCC(=O)C1 CNP0086318.0 [0,1,0,1,0,0|1,0,0]=3 471 B16R1.8780 C[C@@H]1CCCCCC/C=C\CCCC(=O)O1 CNP0158821.1 [0,1,0,1,0,0|0,0,1]=3 472 B16R1.8780 C[C@H]1CCCCCC/C=C\CCCC(=O)O1 CNP0158821.2 [0,1,0,1,0,0|0,0,1]=3 473 B16R1.8780 C[C@H]1CCCCCCCCCCCC(=O)O1 CNP0261950.1 [0,1,0,1,0,0|0,0,0]=2 474 B16R1.18167 CC(=O)CC1CCCCCCCCCCC1 CNP0299537.0 [0,1,0,1,0,0|1,0,0]=3 475 B16R1.402 C[C@H]1CCCCCCCCCCCOC1=O CNP0258710.1 [0,1,0,1,0,0|0,0,0]=2 476 B16R1.402 O=C1CCCCCCCCCCCCC1=O CNP0584718.0 [0,1,0,1,0,0|0,0,1]=3 477 B16R1.8816 O=C1CCCC=CCCCCCCCCC1 CNP0316245.0 [0,1,0,1,0,0|1,0,1]=4 478 B16R1.8816 O=C1CCCC=CCCCCCCCCO1 CNP0260386.0 [0,1,0,1,0,0|0,0,1]=3 479 B16R1.8816 O=C1CCCCCCCCCCCCCC1 CNP0222423.0 [0,1,0,1,0,0|1,0,0]=3 480 B16R1.8816 O=C1CCCCCCCCCCCCCO1 CNP0160622.0 [0,1,0,1,0,0|0,0,0]=2 481 B16R1.8816 O=C1CCCCCCCCCCOCCO1 CNP0127605.0 [0,1,0,1,0,0|0,0,0]=2 482 B16R1.8816 OC1CCCCCCCCCCCCCC1 CNP0139630.0 [0,1,0,1,0,0|1,0,1]=4 483 B16R1.8841 CC1CCCCCCCCCCC(=O)OC1 CNP0156010.0 [0,1,0,1,0,0|0,0,0]=2 484 B16R1.8841 C[C@@H]1CCCCCC/C=C\CCC(=O)OC1 CNP0147517.2 [0,1,0,1,0,0|0,0,2]=4 485 B16R1.8841 C[C@@H]1CCCCCCCCCCC(=O)OC1 CNP0156010.1 [0,1,0,1,0,0|0,0,0]=2 486 B16R1.8841 C[C@H]1CCCCCC/C=C\CCC(=O)OC1 CNP0147517.1 [0,1,0,1,0,0|0,0,2]=4 487 B16R1.17553 CCCCCCCCC[C@@H]1O[C@H]1C(=O)OC CNP0106207.1 [0,1,0,1,0,0|1,0,0]=3 488 B16R1.78622 CCCCCC[C@H]1CCCCC[C@H](O1)CC CNP0430060.1 [0,1,0,1,0,0|1,0,1]=4 489 B16R1.1275 O=C(O)CCCCCCCC[C@@H]1C=CCC1 CNP0355956.2 [0,1,0,1,0,0|0,0,1]=3 490 B16R1.1275 O=C(O)CCCCCCCC[C@H]1C=CCC1 CNP0355956.1 [0,1,0,1,0,0|0,0,1]=3 491 B16R1.12682 O=C(O)C[C@H]1CCC(=O)[C@@H]1CCCCCO CNP0176314.1 [0,1,0,1,0,0|1,0,1]=4 492 B16R1.27 CCCCCCCCCC1CCCC(=O)O1 CNP0142097.0 [0,1,0,1,0,0|0,0,0]=2 493 B16R1.27 CCCCCCCCC[C@@H]1CC=CC(=O)O1 CNP0272113.1 [0,1,0,1,0,0|0,0,1]=3 494 B16R1.6868 O=C(O)CCCCCCC[C@@H]1CCC(=O)O1 CNP0357753.1 [0,1,0,1,0,0|1,0,1]=4 495 B16R2.36177 CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)O CNP0472277.1 [0,0,0,2,0,0|2,0,0]=4 496 B16R2.36177 CC[C@H]1C[N@]2CC[C@H]1C[C@@H]2CNC(=O)O CNP0472277.2 [0,0,0,2,0,0|2,0,0]=4