0 B13R0.336 C#CCCCCCCCCCCCC CNP0579427.0 [0,0,0,0,0,0|1,0,1]=2 1 B13R0.336 C=CCCCCCCC=CCCCC CNP0527141.0 [0,0,0,0,0,0|1,0,2]=3 2 B13R0.336 C=CCCCCCCCCCCC=C CNP0252871.0 [0,0,0,0,0,0|1,0,2]=3 3 B13R0.336 C=CCCCCCCCCCCCC CNP0137398.0 [0,0,0,0,0,0|1,0,0]=1 4 B13R0.336 C=CCNCCCCCCCCCC CNP0522683.0 [0,0,0,0,0,0|2,0,0]=2 5 B13R0.336 CC=CCCCCCCCCCCC CNP0269313.0 [0,0,0,0,0,0|1,0,1]=2 6 B13R0.336 CC=CCCCCCCCCCCO CNP0151348.0 [0,0,0,0,0,0|2,0,1]=3 7 B13R0.336 CCC=CCCCCCCCCCC CNP0003426.0 [0,0,0,0,0,0|1,0,3]=4 8 B13R0.336 CCC=CCCCCCCCCCO CNP0173162.0 [0,0,0,0,0,0|0,0,4]=4 9 B13R0.336 CCCC=CCCCCCCCCC CNP0541639.0 [0,0,0,0,0,0|1,0,3]=4 10 B13R0.336 CCCCC=CCCCCCCCC CNP0076420.0 [0,0,0,0,0,0|1,0,3]=4 11 B13R0.336 CCCCC=CCCCCCCCO CNP0171301.0 [0,0,0,0,0,0|0,0,4]=4 12 B13R0.336 CCCCCC#CCCCCCCC CNP0610552.0 [0,0,0,0,0,0|1,0,3]=4 13 B13R0.336 CCCCCCC#CCCCCCC CNP0076786.0 [0,0,0,0,0,0|1,0,3]=4 14 B13R0.336 CCCCCCC=CCCCCCC CNP0084834.0 [0,0,0,0,0,0|1,0,3]=4 15 B13R0.336 CCCCCCCCC=CC=CC=O CNP0133214.0 [0,0,0,0,0,0|0,0,4]=4 16 B13R0.336 CCCCCCCCC=CCCC=O CNP0003281.0 [0,0,0,0,0,0|0,0,2]=2 17 B13R0.336 CCCCCCCCC=CCCCO CNP0351626.0 [0,0,0,0,0,0|0,0,4]=4 18 B13R0.336 CCCCCCCCCCC=CC=O CNP0146353.0 [0,0,0,0,0,0|0,0,2]=2 19 B13R0.336 CCCCCCCCCCC=CCO CNP0096544.0 [0,0,0,0,0,0|0,0,4]=4 20 B13R0.336 CCCCCCCCCCCC=CO CNP0586715.0 [0,0,0,0,0,0|0,0,2]=2 21 B13R0.336 CCCCCCCCCCCC=NO CNP0018714.0 [0,0,0,0,0,0|1,0,2]=3 22 B13R0.336 CCCCCCCCCCCCC#N CNP0226803.0 [0,0,0,0,0,0|1,0,1]=2 23 B13R0.336 CCCCCCCCCCCCC=O CNP0222214.0 [0,0,0,0,0,0|0,0,0]=0 24 B13R0.336 CCCCCCCCCCCCCC CNP0293304.0 [0,0,0,0,0,0|1,0,1]=2 25 B13R0.336 CCCCCCCCCCCCCI CNP0486092.0 [0,0,0,0,0,0|1,0,1]=2 26 B13R0.336 CCCCCCCCCCCCCN CNP0561220.0 [0,0,0,0,0,0|1,0,1]=2 27 B13R0.336 CCCCCCCCCCCCCO CNP0139347.0 [0,0,0,0,0,0|0,0,2]=2 28 B13R0.336 CCCCCCCCCCCOC=O CNP0085671.0 [0,0,0,0,0,0|1,0,0]=1 29 B13R0.336 N#CCCCCCCCCCCC#N CNP0168881.0 [0,0,0,0,0,0|2,0,2]=4 30 B13R0.336 O=CCCNCCCCNCCC=O CNP0281046.0 [0,0,0,0,0,0|3,0,1]=4 31 B13R0.336 OCCCCCCCCCCCCBr CNP0591539.0 [0,0,0,0,0,0|1,0,2]=3 32 B13R0.336 OCCCCCCCCCCCCO CNP0172707.0 [0,0,0,0,0,0|1,0,2]=3 33 B12R0.5 C=CC=CCCCCCCCCC CNP0589614.0 [1,0,0,0,0,0|0,0,3]=4 34 B12R0.5 C=CCCC=CCCCCCCC CNP0172346.0 [1,0,0,0,0,0|0,0,3]=4 35 B12R0.5 C=CCCCC=CCCCCCC CNP0076850.0 [1,0,0,0,0,0|0,0,3]=4 36 B12R0.5 C=CCCCCCCCCC=CC CNP0054973.0 [1,0,0,0,0,0|0,0,3]=4 37 B12R0.5 C=CCCCCCCCCCC=C CNP0610541.0 [1,0,0,0,0,0|0,0,3]=4 38 B12R0.5 C=CCCCCCCCCCCC CNP0324663.0 [1,0,0,0,0,0|0,0,1]=2 39 B12R0.5 C=CCCCCCCCCCCO CNP0237635.0 [1,0,0,0,0,0|1,0,1]=3 40 B12R0.5 CC#CCCCCCCCCCO CNP0563211.0 [1,0,0,0,0,0|0,0,3]=4 41 B12R0.5 CC=CCCCCCCCCCC CNP0504957.0 [1,0,0,0,0,0|1,0,1]=3 42 B12R0.5 CC=CCCCCCCCCCO CNP0177650.0 [1,0,0,0,0,0|0,0,3]=4 43 B12R0.5 CCC=CCCCCCCCC=O CNP0222286.0 [1,0,0,0,0,0|0,0,2]=3 44 B12R0.5 CCC=CCCCCCCCCC CNP0534908.0 [1,0,0,0,0,0|0,0,3]=4 45 B12R0.5 CCC=CCCCCCCCCO CNP0133783.0 [1,0,0,0,0,0|0,0,3]=4 46 B12R0.5 CCCC=CCCCCCCCO CNP0274278.0 [1,0,0,0,0,0|0,0,3]=4 47 B12R0.5 CCCCC=CCCCCCC=O CNP0318145.0 [1,0,0,0,0,0|0,0,2]=3 48 B12R0.5 CCCCC=CCCCCCCC CNP0586294.0 [1,0,0,0,0,0|0,0,3]=4 49 B12R0.5 CCCCC=CCCCCCCO CNP0260521.0 [1,0,0,0,0,0|0,0,3]=4 50 B12R0.5 CCCCCC#CCCCCCC CNP0154721.0 [1,0,0,0,0,0|0,0,3]=4 51 B12R0.5 CCCCCC=CCCCCC=O CNP0590554.0 [1,0,0,0,0,0|0,0,2]=3 52 B12R0.5 CCCCCC=CCCCCCC CNP0240715.0 [1,0,0,0,0,0|0,0,3]=4 53 B12R0.5 CCCCCCC=CCCCC=O CNP0205630.0 [1,0,0,0,0,0|0,0,2]=3 54 B12R0.5 CCCCCCCCC=CCCO CNP0107866.0 [1,0,0,0,0,0|0,0,3]=4 55 B12R0.5 CCCCCCCCCC=CC=O CNP0141647.0 [1,0,0,0,0,0|0,0,2]=3 56 B12R0.5 CCCCCCCCCC=CCO CNP0254277.0 [1,0,0,0,0,0|0,0,3]=4 57 B12R0.5 CCCCCCCCCCC=CO CNP0086116.0 [1,0,0,0,0,0|0,0,2]=3 58 B12R0.5 CCCCCCCCCCCC#N CNP0071944.0 [1,0,0,0,0,0|1,0,1]=3 59 B12R0.5 CCCCCCCCCCCC=O CNP0211650.0 [1,0,0,0,0,0|0,0,0]=1 60 B12R0.5 CCCCCCCCCCCCC CNP0251262.0 [1,0,0,0,0,0|0,0,1]=2 61 B12R0.5 CCCCCCCCCCCCO CNP0281602.0 [1,0,0,0,0,0|0,0,1]=2 62 B12R0.5 CCCCCCCCCCOC=O CNP0485887.0 [1,0,0,0,0,0|1,0,0]=2 63 B12R0.5 CCCCCCCCCCOCO CNP0587051.0 [1,0,0,0,0,0|1,0,1]=3 64 B12R0.5 CCCCCCCCCOCCC CNP0508454.0 [1,0,0,0,0,0|1,0,1]=3 65 B12R0.5 CCCCCCNCCCCCC CNP0462839.0 [1,0,0,0,0,0|1,0,1]=3 66 B12R0.5 CCCCCCOCCCCCC CNP0492138.0 [1,0,0,0,0,0|1,0,1]=3 67 B12R0.5 OCCCCCCCCCCCO CNP0368503.0 [1,0,0,0,0,0|1,0,1]=3 68 B14R0.145 CCCCCCCC(O)CCCCCC CNP0151041.0 [0,1,0,0,0,0|1,0,1]=3 69 B14R0.145 CCCCCCC[C@@H](C)CCCCCC CNP0316250.1 [0,1,0,0,0,0|1,0,1]=3 70 B14R0.145 CCCCCCC[C@H](C)CCCCCC CNP0316250.2 [0,1,0,0,0,0|1,0,1]=3 71 B14R0.179 CCCCCCCC[C@H](O)CCCCO CNP0017921.1 [0,1,0,0,0,0|0,0,2]=3 72 B14R0.337 C#CCCCCCCCCCC(C)OC CNP0289200.0 [0,1,0,0,0,0|2,0,1]=4 73 B14R0.337 C=CC(=O)CCCCCCCCCCC CNP0334014.0 [0,1,0,0,0,0|1,0,1]=3 74 B14R0.337 CCCCCCCCCCCC(=O)CC CNP0260208.0 [0,1,0,0,0,0|1,0,2]=4 75 B14R0.337 CCCCCCCCCCCC(=O)CO CNP0162178.0 [0,1,0,0,0,0|0,0,3]=4 76 B14R0.337 CCCCCCCCCCCC(=O)OC CNP0307835.0 [0,1,0,0,0,0|2,0,1]=4 77 B14R0.337 CCCCCCCCCCC[C@H](C)CC CNP0294304.1 [0,1,0,0,0,0|1,0,1]=3 78 B14R0.337 COC(=O)CCCCCCCCCC=O CNP0314293.0 [0,1,0,0,0,0|1,0,1]=3 79 B14R0.392 C#CCCCCCCCCCCCCC CNP0076909.0 [0,1,0,0,0,0|1,0,1]=3 80 B14R0.392 C=CC=CCCCCCCCCCC=O CNP0306588.0 [0,1,0,0,0,0|0,0,3]=4 81 B14R0.392 C=CC=CCCCCCCCCCCC CNP0497045.0 [0,1,0,0,0,0|1,0,1]=3 82 B14R0.392 C=CCCCC=CCCCCCCCC CNP0286885.0 [0,1,0,0,0,0|1,0,1]=3 83 B14R0.392 C=CCCCCCC=CCCCCCC CNP0273619.0 [0,1,0,0,0,0|1,0,1]=3 84 B14R0.392 C=CCCCCCCC=CCCCCO CNP0130050.0 [0,1,0,0,0,0|1,0,2]=4 85 B14R0.392 C=CCCCCCCCCCCCC=O CNP0321421.0 [0,1,0,0,0,0|0,0,1]=2 86 B14R0.392 C=CCCCCCCCCCCCCC CNP0103453.0 [0,1,0,0,0,0|1,0,0]=2 87 B14R0.392 C=CCOCC=CCCCCCCCC CNP0212725.0 [0,1,0,0,0,0|1,0,2]=4 88 B14R0.392 CC=CC#CCCCCCCCCCC CNP0224690.0 [0,1,0,0,0,0|1,0,2]=4 89 B14R0.392 CC=CCC=CCCCCCCCC=O CNP0298520.0 [0,1,0,0,0,0|0,0,3]=4 90 B14R0.392 CC=CCCCCCCCCCCCC CNP0134200.0 [0,1,0,0,0,0|1,0,0]=2 91 B14R0.392 CC=CCCCCCCCCCCCO CNP0292605.0 [0,1,0,0,0,0|1,0,1]=3 92 B14R0.392 CCC#CCCCCCCCCCCO CNP0520588.0 [0,1,0,0,0,0|0,0,3]=4 93 B14R0.392 CCC=CC=CCCCCCCCC=O CNP0104034.0 [0,1,0,0,0,0|0,0,3]=4 94 B14R0.392 CCC=CCCCCCCCCCC=O CNP0381172.0 [0,1,0,0,0,0|0,0,1]=2 95 B14R0.392 CCC=CCCCCCCCCCCO CNP0175758.0 [0,1,0,0,0,0|0,0,3]=4 96 B14R0.392 CCC=CCCCCCCCCOC=O CNP0311687.0 [0,1,0,0,0,0|0,0,2]=3 97 B14R0.392 CCCC=CC=CCCCCCCC=O CNP0212002.0 [0,1,0,0,0,0|0,0,3]=4 98 B14R0.392 CCCC=CCCCCCCCCCO CNP0246964.0 [0,1,0,0,0,0|0,0,3]=4 99 B14R0.392 CCCCC=CCCCCCCCC=O CNP0270269.0 [0,1,0,0,0,0|0,0,1]=2 100 B14R0.392 CCCCC=CCCCCCCCCN CNP0374688.0 [0,1,0,0,0,0|1,0,2]=4 101 B14R0.392 CCCCC=CCCCCCCCCO CNP0209176.0 [0,1,0,0,0,0|0,0,3]=4 102 B14R0.392 CCCCCC=CCCCCCCCC CNP0295392.0 [0,1,0,0,0,0|1,0,2]=4 103 B14R0.392 CCCCCC=CCCCCCCCO CNP0168751.0 [0,1,0,0,0,0|0,0,3]=4 104 B14R0.392 CCCCCCC=CCCCCCC#N CNP0071943.0 [0,1,0,0,0,0|1,0,2]=4 105 B14R0.392 CCCCCCC=CCCCCCC=O CNP0173800.0 [0,1,0,0,0,0|0,0,1]=2 106 B14R0.392 CCCCCCC=CCCCCCCC CNP0169056.0 [0,1,0,0,0,0|1,0,2]=4 107 B14R0.392 CCCCCCC=CCCCCCCN CNP0143158.0 [0,1,0,0,0,0|1,0,2]=4 108 B14R0.392 CCCCCCC=CCCCCCCO CNP0276887.0 [0,1,0,0,0,0|0,0,3]=4 109 B14R0.392 CCCCCCCC=CCCCCCO CNP0239348.0 [0,1,0,0,0,0|0,0,3]=4 110 B14R0.392 CCCCCCCCC=CCCCC=O CNP0381300.0 [0,1,0,0,0,0|0,0,1]=2 111 B14R0.392 CCCCCCCCC=CCCCCO CNP0222511.0 [0,1,0,0,0,0|0,0,3]=4 112 B14R0.392 CCCCCCCCCCC#CCCO CNP0573718.0 [0,1,0,0,0,0|0,0,3]=4 113 B14R0.392 CCCCCCCCCCC=CCC#N CNP0213951.0 [0,1,0,0,0,0|1,0,2]=4 114 B14R0.392 CCCCCCCCCCC=CCCO CNP0306792.0 [0,1,0,0,0,0|0,0,3]=4 115 B14R0.392 CCCCCCCCCCCC=CC=O CNP0054792.0 [0,1,0,0,0,0|0,0,1]=2 116 B14R0.392 CCCCCCCCCCCC=CCO CNP0358958.0 [0,1,0,0,0,0|0,0,2]=3 117 B14R0.392 CCCCCCCCCCCCC#CO CNP0075343.0 [0,1,0,0,0,0|0,0,2]=3 118 B14R0.392 CCCCCCCCCCCCCC#N CNP0173573.0 [0,1,0,0,0,0|1,0,1]=3 119 B14R0.392 CCCCCCCCCCCCCC=O CNP0200880.0 [0,1,0,0,0,0|0,0,0]=1 120 B14R0.392 CCCCCCCCCCCCCCC CNP0314547.0 [0,1,0,0,0,0|1,0,1]=3 121 B14R0.392 CCCCCCCCCCCCCCCl CNP0509321.0 [0,1,0,0,0,0|1,0,1]=3 122 B14R0.392 CCCCCCCCCCCCCCI CNP0576364.0 [0,1,0,0,0,0|1,0,1]=3 123 B14R0.392 CCCCCCCCCCCCCCN CNP0079841.0 [0,1,0,0,0,0|1,0,1]=3 124 B14R0.392 CCCCCCCCCCCCCCO CNP0209818.0 [0,1,0,0,0,0|0,0,2]=3 125 B14R0.392 CCCCCCCCCCCCCC[11CH3] CNP0480041.0 [0,1,0,0,0,0|1,0,1]=3 126 B14R0.392 CCCCCCCCOCCCCCC CNP0511916.0 [0,1,0,0,0,0|1,0,1]=3 127 B14R0.392 NCCCCCCNCCCCCCN CNP0503311.0 [0,1,0,0,0,0|2,0,1]=4 128 B14R0.392 O=CCCCCCCCCCCCC=O CNP0157180.0 [0,1,0,0,0,0|0,0,1]=2 129 B14R0.392 OCCCCCCCCCCCCCO CNP0197941.0 [0,1,0,0,0,0|0,0,2]=3 130 B14R0.393 C=CCCCCCCCCC(=O)OCC CNP0247664.0 [0,1,0,0,0,0|2,0,1]=4 131 B14R0.393 CCCCCCCCCCC(C)CCC CNP0003453.0 [0,1,0,0,0,0|1,0,1]=3 132 B14R0.393 CCCCCCCCCC[C@@H](O)CCC CNP0076547.2 [0,1,0,0,0,0|1,0,1]=3 133 B14R0.393 CCCCCCCCCC[C@H](O)CCC CNP0076547.1 [0,1,0,0,0,0|1,0,1]=3 134 B14R0.394 C#CCCCCCCCCCCC(=O)C CNP0503056.0 [0,1,0,0,0,0|0,0,2]=3 135 B14R0.394 C=CCCCCCCCCCOC(=O)C CNP0003547.0 [0,1,0,0,0,0|1,0,2]=4 136 B14R0.394 CC(C)CCCCCCCCCCC=O CNP0178223.0 [0,1,0,0,0,0|0,0,0]=1 137 B14R0.394 CC(C)CCCCCCCCCCCN CNP0301011.0 [0,1,0,0,0,0|1,0,1]=3 138 B14R0.394 CC=CCCCCCCCCOC(=O)C CNP0308487.0 [0,1,0,0,0,0|1,0,2]=4 139 B14R0.394 CCCC=CCCCCCCOC(=O)C CNP0162411.0 [0,1,0,0,0,0|1,0,2]=4 140 B14R0.394 CCCCCC=CCCCCCC(=O)O CNP0547535.0 [0,1,0,0,0,0|0,0,2]=3 141 B14R0.394 CCCCCCC=CCCCCC(=O)C CNP0245771.0 [0,1,0,0,0,0|0,0,2]=3 142 B14R0.394 CCCCCCCCCCC=CC(=O)O CNP0334789.0 [0,1,0,0,0,0|0,0,2]=3 143 B14R0.394 CCCCCCCCCCCCC(=O)C CNP0420877.0 [0,1,0,0,0,0|0,0,0]=1 144 B14R0.394 CCCCCCCCCCCCC(=O)N CNP0216559.0 [0,1,0,0,0,0|0,0,0]=1 145 B14R0.394 CCCCCCCCCCCCC(=O)O CNP0145185.0 [0,1,0,0,0,0|0,0,0]=1 146 B14R0.394 CCCCCCCCCCCCC(C)C CNP0391491.0 [0,1,0,0,0,0|1,0,1]=3 147 B14R0.394 CCCCCCCCCCCCC(C)O CNP0214390.0 [0,1,0,0,0,0|0,0,2]=3 148 B14R0.394 CCCCCCCCCCCCN(C)C CNP0476829.0 [0,1,0,0,0,0|2,0,0]=3 149 B14R0.394 CCCCCCCCCCCOC(=O)C CNP0260334.0 [0,1,0,0,0,0|1,0,0]=2 150 B14R0.394 NCCCCCCCCCCCC(=O)O CNP0125044.0 [0,1,0,0,0,0|1,0,0]=2 151 B14R0.394 O=C(O)CCCCCCCC=CCCO CNP0178804.0 [0,1,0,0,0,0|1,0,2]=4 152 B14R0.394 O=C(O)CCCCCCCCCCCBr CNP0057228.0 [0,1,0,0,0,0|1,0,0]=2 153 B14R0.394 O=C(O)CCCCCCCCCCCO CNP0273728.0 [0,1,0,0,0,0|1,0,0]=2 154 B14R0.394 [2H]CCCCCCCCCCCC(=O)O CNP0602095.0 [0,1,0,0,0,0|1,0,0]=2 155 B14R0.493 CCCCCCCCCC(=O)CCCC CNP0481269.0 [0,1,0,0,0,0|1,0,2]=4 156 B14R0.493 CCCCCCCCC[C@H](C)CCCC CNP0076142.1 [0,1,0,0,0,0|1,0,1]=3 157 B14R0.493 CCCC[C@H](O)CCCCCCCCO CNP0388153.1 [0,1,0,0,0,0|0,0,2]=3 158 B14R1.123 CCCCCCCCC1CCCCC1 CNP0354404.0 [0,0,0,1,0,0|1,0,1]=3 159 B14R1.138 CCCCCCN1CCCCCC1=O CNP0044341.0 [0,0,0,1,0,0|1,0,0]=2 160 B14R1.216 CCCCCC=CCC1CCCC1=O CNP0180932.0 [0,0,0,1,0,0|0,0,2]=3 161 B14R1.247 C[C@@H]1CCCCCCCCCCC1=O CNP0376141.1 [0,0,0,1,0,0|0,0,0]=1 162 B14R1.247 C[C@H]1CCCCCCCCCCC1=O CNP0376141.2 [0,0,0,1,0,0|0,0,0]=1 163 B14R1.904 CCCC1CCCCC1CCCOC CNP0433257.0 [0,0,0,1,0,0|2,0,0]=3 164 B14R1.2348 CCCCCCC[C@H]1O[C@@H]1/C=C/C=O CNP0516639.1 [0,0,0,1,0,0|1,0,2]=4 165 B14R1.2874 C1CCCCCCCCCCCCC1 CNP0320476.0 [0,0,0,1,0,0|1,0,1]=3 166 B14R1.4408 O=C1CC=CCCCCCCCCO1 CNP0106632.0 [0,0,0,1,0,0|1,0,2]=4 167 B14R1.4408 O=C1CCCCCCCC=CCCO1 CNP0208635.0 [0,0,0,1,0,0|1,0,2]=4 168 B14R1.4408 O=C1CCCCCCCCC=CCO1 CNP0609723.0 [0,0,0,1,0,0|1,0,2]=4 169 B14R1.4408 O=C1CCCCCCCCCCCO1 CNP0320182.0 [0,0,0,1,0,0|1,0,0]=2 170 B11R0.3 C#CCCCCCCCCCC CNP0087459.0 [2,0,0,0,0,0|0,0,2]=4 171 B11R0.3 C=CCCCCCCCCC=O CNP0077289.0 [2,0,0,0,0,0|0,0,2]=4 172 B11R0.3 C=CCCCCCCCCCBr CNP0269281.0 [2,0,0,0,0,0|1,0,1]=4 173 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [2,0,0,0,0,0|0,0,1]=3 174 B11R0.3 C=CCCCCCCCCCO CNP0216447.0 [2,0,0,0,0,0|1,0,1]=4 175 B11R0.3 CC=CCCCCCCCC=O CNP0339577.0 [2,0,0,0,0,0|0,0,2]=4 176 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [2,0,0,0,0,0|0,0,2]=4 177 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [2,0,0,0,0,0|0,0,2]=4 178 B11R0.3 CCCCCC=CCCCCC CNP0563337.0 [2,0,0,0,0,0|0,0,2]=4 179 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [2,0,0,0,0,0|0,0,2]=4 180 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [2,0,0,0,0,0|0,0,2]=4 181 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [2,0,0,0,0,0|1,0,1]=4 182 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [2,0,0,0,0,0|0,0,0]=2 183 B11R0.3 CCCCCCCCCCCC CNP0299960.0 [2,0,0,0,0,0|0,0,0]=2 184 B11R0.3 CCCCCCCCCCCO CNP0115710.0 [2,0,0,0,0,0|0,0,1]=3 185 B11R0.3 CCCCCCCCCCNC CNP0142745.0 [2,0,0,0,0,0|1,0,0]=3 186 B11R0.3 CCCCCCCCCCON CNP0565549.0 [2,0,0,0,0,0|2,0,0]=4 187 B11R0.3 CCCCCCCCOCCO CNP0598116.0 [2,0,0,0,0,0|1,0,1]=4 188 B11R0.3 CCCCCSSCCCCC CNP0314925.0 [2,0,0,0,0,0|2,0,0]=4 189 B11R0.3 CCCCOCCOCCCC CNP0542178.0 [2,0,0,0,0,0|2,0,0]=4 190 B11R0.3 O=CCCCCCCCCC=O CNP0375869.0 [2,0,0,0,0,0|1,0,1]=4 191 B11R0.3 OCCCCCCCCCCO CNP0483673.0 [2,0,0,0,0,0|1,0,1]=4 192 B11R0.3 [CH2]CCCCCCCCCCC CNP0562200.0 [2,0,0,0,0,0|0,0,1]=3 193 B13R0.2 CCCCCCCCCC(=O)CC=O CNP0246850.0 [1,1,0,0,0,0|0,0,1]=3 194 B13R0.2 CCCCCCCCCC(=O)CCC CNP0343183.0 [1,1,0,0,0,0|0,0,2]=4 195 B13R0.2 CCCCCCCCCC(C)CCC CNP0097879.0 [1,1,0,0,0,0|0,0,1]=3 196 B13R0.2 CCCCCCOCCC(C)CCC CNP0085746.0 [1,1,0,0,0,0|1,0,1]=4 197 B13R0.2 CCOC(=O)CCCCCCCC=O CNP0276438.0 [1,1,0,0,0,0|1,0,1]=4 198 B13R0.54 C=C(C)CCCCCCCCCCC CNP0076867.0 [1,1,0,0,0,0|0,0,1]=3 199 B13R0.54 C=CCCCCCCCCCC(=O)C CNP0306240.0 [1,1,0,0,0,0|0,0,2]=4 200 B13R0.54 C=CCCCCCCCCCC(=O)O CNP0172494.0 [1,1,0,0,0,0|0,0,2]=4 201 B13R0.54 CC(=O)OCCCCCCCCC=O CNP0547492.0 [1,1,0,0,0,0|1,0,1]=4 202 B13R0.54 CC(C)CCCCCCCCCCO CNP0498996.0 [1,1,0,0,0,0|0,0,1]=3 203 B13R0.54 CCC=CCCCCCCCC(=O)O CNP0316183.0 [1,1,0,0,0,0|0,0,2]=4 204 B13R0.54 CCCC=CCCCCCCC(=O)O CNP0213131.0 [1,1,0,0,0,0|0,0,2]=4 205 B13R0.54 CCCCC=CCCCCCC(=O)O CNP0155826.0 [1,1,0,0,0,0|0,0,2]=4 206 B13R0.54 CCCCCC=CCCCCC(=O)C CNP0213133.0 [1,1,0,0,0,0|0,0,2]=4 207 B13R0.54 CCCCCC=CCCCCC(=O)O CNP0611346.0 [1,1,0,0,0,0|0,0,2]=4 208 B13R0.54 CCCCCCC=CCCCC(=O)O CNP0163257.0 [1,1,0,0,0,0|0,0,2]=4 209 B13R0.54 CCCCCCCC=CCCC(=O)O CNP0181626.0 [1,1,0,0,0,0|0,0,2]=4 210 B13R0.54 CCCCCCCCC=CCC(=O)O CNP0579851.0 [1,1,0,0,0,0|0,0,2]=4 211 B13R0.54 CCCCCCCCCC=CC(=O)C CNP0265083.0 [1,1,0,0,0,0|0,0,2]=4 212 B13R0.54 CCCCCCCCCC=CC(=O)O CNP0126369.0 [1,1,0,0,0,0|0,0,2]=4 213 B13R0.54 CCCCCCCCCCCC(=O)C CNP0221288.0 [1,1,0,0,0,0|0,0,0]=2 214 B13R0.54 CCCCCCCCCCCC(=O)N CNP0127821.0 [1,1,0,0,0,0|0,0,0]=2 215 B13R0.54 CCCCCCCCCCCC(=O)O CNP0303017.0 [1,1,0,0,0,0|0,0,0]=2 216 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0514502.0 [1,1,0,0,0,0|0,0,0]=2 217 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526629.0 [1,1,0,0,0,0|0,0,0]=2 218 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526943.0 [1,1,0,0,0,0|0,0,0]=2 219 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0575486.0 [1,1,0,0,0,0|0,0,0]=2 220 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0604542.0 [1,1,0,0,0,0|0,0,0]=2 221 B13R0.54 CCCCCCCCCCCC(C)C CNP0149200.0 [1,1,0,0,0,0|0,0,1]=3 222 B13R0.54 CCCCCCCCCCC[C@@H](C)O CNP0149423.2 [1,1,0,0,0,0|0,0,1]=3 223 B13R0.54 CCCCCCCCCCC[C@H](C)O CNP0149423.1 [1,1,0,0,0,0|0,0,1]=3 224 B13R0.54 CCCCCCCCCCOC(=O)C CNP0190607.0 [1,1,0,0,0,0|1,0,0]=3 225 B13R0.54 CCCCCCCCCCOC(=O)S CNP0481026.0 [1,1,0,0,0,0|1,0,0]=3 226 B13R0.54 CCCCCCCCSCCC(=O)O CNP0574442.0 [1,1,0,0,0,0|1,0,0]=3 227 B13R0.54 O=C(O)CCCCCCCCCCBr CNP0033746.0 [1,1,0,0,0,0|1,0,0]=3 228 B13R0.54 O=C(O)CCCCCCCCCCS CNP0586086.0 [1,1,0,0,0,0|1,0,0]=3 229 B13R0.54 O=CCCCCCCCCCC(=O)O CNP0102682.0 [1,1,0,0,0,0|1,0,1]=4 230 B13R0.54 [2H]C(=C)CCCCCCCCCCC CNP0557104.0 [1,1,0,0,0,0|0,0,1]=3 231 B13R0.147 CCCCCCCCCC=C(C)C=O CNP0146034.0 [1,1,0,0,0,0|0,0,2]=4 232 B13R0.147 CCCCCCCCCCC(=O)CC CNP0487301.0 [1,1,0,0,0,0|0,0,2]=4 233 B13R0.147 CCCCCCCCCC[C@@H](C)CC CNP0232099.1 [1,1,0,0,0,0|0,0,1]=3 234 B13R0.147 CCCCCCOCCCC(C)CC CNP0611371.0 [1,1,0,0,0,0|1,0,1]=4 235 B13R0.147 CC[C@@H](C)CCCCCCCCCO CNP0238947.2 [1,1,0,0,0,0|0,0,1]=3 236 B13R0.147 CC[C@H](C)CCCCCCCCCO CNP0238947.1 [1,1,0,0,0,0|0,0,1]=3 237 B13R0.165 C=CCCCC[C@H](C)CCCCCC CNP0424627.1 [1,1,0,0,0,0|0,0,1]=3 238 B13R0.165 CCCCCCC(=O)CCCCCC CNP0508946.0 [1,1,0,0,0,0|0,0,2]=4 239 B13R0.165 CCCCCCC(O)CCCCCC CNP0082295.0 [1,1,0,0,0,0|0,0,1]=3 240 B13R0.338 CCCCCCCC(N)CCCCC CNP0427184.0 [1,1,0,0,0,0|0,0,1]=3 241 B13R0.338 CCCCCCC[C@H](C)CCCCC CNP0183278.1 [1,1,0,0,0,0|0,0,1]=3 242 B15R0.133 CCCCCCCC(=O)CCCCCCC CNP0109225.0 [0,2,0,0,0,0|1,0,1]=4 243 B15R0.133 CCCCCCCC(O)CCCCCCC CNP0547904.0 [0,2,0,0,0,0|1,0,1]=4 244 B15R0.137 C/C=C(\C)/CCC[C@@H](O)CCCCCCC CNP0328255.1 [0,2,0,0,0,0|1,0,1]=4 245 B15R0.137 CCCCCCCC(C)CCCC(C)C#N CNP0541608.0 [0,2,0,0,0,0|1,0,1]=4 246 B15R0.149 CCCCCCCCC(=O)CCCCCC CNP0003490.0 [0,2,0,0,0,0|1,0,1]=4 247 B15R0.149 CCCCCCCCC(C)CCCCCC CNP0602836.0 [0,2,0,0,0,0|1,0,1]=4 248 B15R0.193 CCCCCC[C@H](O)CCCCCC(=O)O CNP0170541.1 [0,2,0,0,0,0|0,0,0]=2 249 B15R0.196 CCCCC[C@@H](O)C[C@@H](O)CCC/C=C/Cl CNP0269096.3 [0,2,0,0,0,0|1,0,1]=4 250 B15R0.196 CCCCC[C@@H](O)C[C@H](O)CCC/C=C/Cl CNP0269096.2 [0,2,0,0,0,0|1,0,1]=4 251 B15R0.196 CCCCC[C@H](O)C[C@H](O)CCC/C=C/Cl CNP0269096.1 [0,2,0,0,0,0|1,0,1]=4 252 B15R0.2061 CCCCCCC(O)CCC(O)CCCC CNP0513185.0 [0,2,0,0,0,0|1,0,1]=4 253 B15R0.322 C=CCCCCCCCC(=O)OCCCC CNP0585797.0 [0,2,0,0,0,0|1,0,1]=4 254 B15R0.367 CCCCCCCCC(=O)CCSC(=O)C CNP0246375.0 [0,2,0,0,0,0|1,0,1]=4 255 B15R0.81 CCCCCCCCCCC=CC(=O)OC CNP0291148.0 [0,2,0,0,0,0|0,0,2]=4 256 B15R0.81 CCCCCCCCCCCCC(=O)OC CNP0210866.0 [0,2,0,0,0,0|0,0,0]=2 257 B15R0.81 CCCCCCCCCCCC[C@@H](C)CC CNP0322318.2 [0,2,0,0,0,0|1,0,1]=4 258 B15R0.81 CCCCCCCCCCCC[C@H](Br)CBr CNP0107528.1 [0,2,0,0,0,0|1,0,1]=4 259 B15R0.81 CCCCCCCCCCCC[C@H](C)CC CNP0322318.1 [0,2,0,0,0,0|1,0,1]=4 260 B15R0.81 CCCCCCCCCCCC[C@H](O)CO CNP0295554.1 [0,2,0,0,0,0|0,0,2]=4 261 B15R0.81 CCCCCCCCCCCOC(=O)CC CNP0236979.0 [0,2,0,0,0,0|1,0,0]=3 262 B15R0.81 CC[C@H](C)CCCCCCCCCCCN CNP0288451.1 [0,2,0,0,0,0|1,0,1]=4 263 B15R0.81 CC[C@H](C)CCCCCCCCCCCO CNP0193546.1 [0,2,0,0,0,0|0,0,2]=4 264 B15R0.81 COC(=O)CCCCCCCCCCCO CNP0267260.0 [0,2,0,0,0,0|1,0,0]=3 265 B15R0.84 C=CCCCCCCCCC[C@@H](O)[C@H](C)N CNP0268996.1 [0,2,0,0,0,0|1,0,0]=3 266 B15R0.84 CCCCCCCCCCCC(C)C(=O)O CNP0596867.0 [0,2,0,0,0,0|0,0,0]=2 267 B15R0.84 CCCCCCCCCCCC(N)C(=O)O CNP0041447.0 [0,2,0,0,0,0|0,0,0]=2 268 B15R0.84 CCCCCCCCCCC[C@@H](C)C(=O)C CNP0377330.1 [0,2,0,0,0,0|0,0,0]=2 269 B15R0.84 CCCCCCCCCCC[C@@H](O)C(=O)O CNP0340683.1 [0,2,0,0,0,0|0,0,0]=2 270 B15R0.84 CCCCCCCCCCC[C@@H](O)[C@H](C)N CNP0291425.1 [0,2,0,0,0,0|1,0,1]=4 271 B15R0.84 CCCCCCCCCCC[C@H](O)[C@@H](C)N CNP0291425.3 [0,2,0,0,0,0|1,0,1]=4 272 B15R0.84 CCCCCCCCCCC[C@H](O)[C@H](C)N CNP0291425.2 [0,2,0,0,0,0|1,0,1]=4 273 B15R0.84 CCCCCCCCCSC[C@H](N)C(=O)O CNP0590207.1 [0,2,0,0,0,0|1,0,0]=3 274 B15R0.247 CCC(C)CCCCCCCCCC(=O)C CNP0353149.0 [0,2,0,0,0,0|0,0,0]=2 275 B15R0.247 CC[C@@H](C)CCCCCCCCCC(=O)O CNP0191743.2 [0,2,0,0,0,0|0,0,0]=2 276 B15R0.247 CC[C@@H](O)/C=C/CCCCCCCC(=O)O CNP0151189.1 [0,2,0,0,0,0|0,0,2]=4 277 B15R0.247 CC[C@H](C)CCCCCCCCCC(=O)O CNP0191743.1 [0,2,0,0,0,0|0,0,0]=2 278 B15R0.247 CC[C@H](O)/C=C/CCCCCCCC(=O)O CNP0151189.2 [0,2,0,0,0,0|0,0,2]=4 279 B15R0.247 O=C(O)CCCCCCCCC[C@@H](O)CO CNP0168722.1 [0,2,0,0,0,0|1,0,0]=3 280 B15R0.253 CCCCCCCCCCCC(OC)OC CNP0003282.0 [0,2,0,0,0,0|2,0,0]=4 281 B15R0.366 C=CCCCCCCCCCC(=O)CC=O CNP0362766.0 [0,2,0,0,0,0|0,0,2]=4 282 B15R0.366 C=COC(=O)CCCCCCCCCCC CNP0315574.0 [0,2,0,0,0,0|1,0,1]=4 283 B15R0.366 CCCCCCCCCCCC(=O)CC=O CNP0349328.0 [0,2,0,0,0,0|0,0,0]=2 284 B15R0.366 CCCCCCCCCCCC(=O)CCO CNP0280181.0 [0,2,0,0,0,0|0,0,2]=4 285 B15R0.366 CCCCCCCCCCCC(C)CCC CNP0084820.0 [0,2,0,0,0,0|1,0,1]=4 286 B15R0.366 CCOC(=O)CCCCCCCCCC=O CNP0279106.0 [0,2,0,0,0,0|0,0,1]=3 287 B15R0.70 BrCCCCCCCCCCCCCCBr CNP0564678.0 [0,2,0,0,0,0|1,0,1]=4 288 B15R0.70 C#CCCCCCCCCCCCCCC CNP0096283.0 [0,2,0,0,0,0|1,0,1]=4 289 B15R0.70 C=CCCCCCCCCCCC=CC=O CNP0076949.0 [0,2,0,0,0,0|0,0,2]=4 290 B15R0.70 C=CCCCCCCCCCCCCC=C CNP0600490.0 [0,2,0,0,0,0|1,0,0]=3 291 B15R0.70 C=CCCCCCCCCCCCCCC CNP0322122.0 [0,2,0,0,0,0|1,0,0]=3 292 B15R0.70 CC=CCCCCCCCCCCCCC CNP0136962.0 [0,2,0,0,0,0|1,0,0]=3 293 B15R0.70 CCC=CCCCCCCCCCCCC CNP0086114.0 [0,2,0,0,0,0|1,0,0]=3 294 B15R0.70 CCCC=CCCCCCCCCCC=O CNP0609859.0 [0,2,0,0,0,0|0,0,0]=2 295 B15R0.70 CCCC=CCCCCCCCCCCO CNP0086283.0 [0,2,0,0,0,0|0,0,2]=4 296 B15R0.70 CCCCC=CCCCC=CCCCC=O CNP0135849.0 [0,2,0,0,0,0|0,0,2]=4 297 B15R0.70 CCCCC=CCCCCCCCCCO CNP0272090.0 [0,2,0,0,0,0|0,0,2]=4 298 B15R0.70 CCCCCC=CCCCCCCCCO CNP0264324.0 [0,2,0,0,0,0|0,0,2]=4 299 B15R0.70 CCCCCCC#CCCCCCCCC CNP0611378.0 [0,2,0,0,0,0|1,0,1]=4 300 B15R0.70 CCCCCCC=CCCCCCCCC CNP0076332.0 [0,2,0,0,0,0|1,0,1]=4 301 B15R0.70 CCCCCCCC=CCCCCCC=O CNP0281465.0 [0,2,0,0,0,0|0,0,0]=2 302 B15R0.70 CCCCCCCCCCC=CC=CC=O CNP0368294.0 [0,2,0,0,0,0|0,0,2]=4 303 B15R0.70 CCCCCCCCCCCC=CCC#N CNP0333713.0 [0,2,0,0,0,0|1,0,1]=4 304 B15R0.70 CCCCCCCCCCCC=CCC=O CNP0103318.0 [0,2,0,0,0,0|0,0,0]=2 305 B15R0.70 CCCCCCCCCCCCC#CCO CNP0086208.0 [0,2,0,0,0,0|0,0,2]=4 306 B15R0.70 CCCCCCCCCCCCC=CC=O CNP0610784.0 [0,2,0,0,0,0|0,0,0]=2 307 B15R0.70 CCCCCCCCCCCCC=COC CNP0603784.0 [0,2,0,0,0,0|0,0,1]=3 308 B15R0.70 CCCCCCCCCCCCCC#CO CNP0526632.0 [0,2,0,0,0,0|0,0,2]=4 309 B15R0.70 CCCCCCCCCCCCCCC#N CNP0071942.0 [0,2,0,0,0,0|1,0,1]=4 310 B15R0.70 CCCCCCCCCCCCCCC=O CNP0331942.0 [0,2,0,0,0,0|0,0,0]=2 311 B15R0.70 CCCCCCCCCCCCCCCC CNP0250856.0 [0,2,0,0,0,0|1,0,1]=4 312 B15R0.70 CCCCCCCCCCCCCCCN CNP0430437.0 [0,2,0,0,0,0|1,0,1]=4 313 B15R0.70 CCCCCCCCCCCCCCCO CNP0150941.0 [0,2,0,0,0,0|0,0,2]=4 314 B15R0.70 CCCCCCCSSCCCCCCC CNP0275702.0 [0,2,0,0,0,0|1,0,1]=4 315 B15R0.70 OCCCCCCCCCCCCCCO CNP0086028.0 [0,2,0,0,0,0|0,0,2]=4 316 B15R0.70 [CH2]CCCCCCCCCCCCCCC CNP0541899.0 [0,2,0,0,0,0|1,0,1]=4 317 B15R0.164 C=C(C)CCCCCCCCCCCCC CNP0612174.0 [0,2,0,0,0,0|1,0,0]=3 318 B15R0.164 C=CCCCCCCCCCCOC(=O)C CNP0406625.0 [0,2,0,0,0,0|0,0,2]=4 319 B15R0.164 CC(=O)OCCCCCCCCCCCO CNP0546903.0 [0,2,0,0,0,0|1,0,0]=3 320 B15R0.164 CC(C)CCCCCCCCCCCC#N CNP0071937.0 [0,2,0,0,0,0|1,0,1]=4 321 B15R0.164 CC=CCCCCCCCCCOC(=O)C CNP0230290.0 [0,2,0,0,0,0|0,0,2]=4 322 B15R0.164 CCC=CCCCCCCCCCC(=O)O CNP0128284.0 [0,2,0,0,0,0|0,0,1]=3 323 B15R0.164 CCC=CCCCCCCCCOC(=O)C CNP0132176.0 [0,2,0,0,0,0|0,0,2]=4 324 B15R0.164 CCCC=CCCCCCCCCC(=O)O CNP0296382.0 [0,2,0,0,0,0|0,0,1]=3 325 B15R0.164 CCCC=CCCCCCCCOC(=O)C CNP0304445.0 [0,2,0,0,0,0|0,0,2]=4 326 B15R0.164 CCCCC=CCCCCCCCC(=O)O CNP0275417.0 [0,2,0,0,0,0|0,0,1]=3 327 B15R0.164 CCCCC=CCCCCCCOC(=O)C CNP0179053.0 [0,2,0,0,0,0|0,0,2]=4 328 B15R0.164 CCCCCC=CCCCCCCC(=O)O CNP0610378.0 [0,2,0,0,0,0|0,0,1]=3 329 B15R0.164 CCCCCCC=CCCCCCC(=O)C CNP0220207.0 [0,2,0,0,0,0|0,0,1]=3 330 B15R0.164 CCCCCCC=CCCCCCC(=O)O CNP0217475.0 [0,2,0,0,0,0|0,0,1]=3 331 B15R0.164 CCCCCCC=CCCCCOC(=O)C CNP0212830.0 [0,2,0,0,0,0|0,0,2]=4 332 B15R0.164 CCCCCCCC=CCCCCC(=O)O CNP0592369.0 [0,2,0,0,0,0|0,0,1]=3 333 B15R0.164 CCCCCCCC=CCCCOC(=O)C CNP0503025.0 [0,2,0,0,0,0|0,0,2]=4 334 B15R0.164 CCCCCCCCC#CCCCC(=O)O CNP0087239.0 [0,2,0,0,0,0|0,0,1]=3 335 B15R0.164 CCCCCCCCC=CCCCC(=O)O CNP0243360.0 [0,2,0,0,0,0|0,0,1]=3 336 B15R0.164 CCCCCCCCC=CCCOC(=O)C CNP0610375.0 [0,2,0,0,0,0|0,0,2]=4 337 B15R0.164 CCCCCCCCCC=CCCC(=O)O CNP0153002.0 [0,2,0,0,0,0|0,0,1]=3 338 B15R0.164 CCCCCCCCCCC=CCC(=O)O CNP0286494.0 [0,2,0,0,0,0|0,0,1]=3 339 B15R0.164 CCCCCCCCCCC=COC(=O)C CNP0375176.0 [0,2,0,0,0,0|0,0,2]=4 340 B15R0.164 CCCCCCCCCCCC=CC(=O)O CNP0189070.0 [0,2,0,0,0,0|0,0,1]=3 341 B15R0.164 CCCCCCCCCCCCCC(=O)C CNP0264327.0 [0,2,0,0,0,0|0,0,0]=2 342 B15R0.164 CCCCCCCCCCCCCC(=O)Cl CNP0358595.0 [0,2,0,0,0,0|0,0,0]=2 343 B15R0.164 CCCCCCCCCCCCCC(=O)N CNP0178369.0 [0,2,0,0,0,0|0,0,0]=2 344 B15R0.164 CCCCCCCCCCCCCC(=O)O CNP0262703.0 [0,2,0,0,0,0|0,0,0]=2 345 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0499274.0 [0,2,0,0,0,0|0,0,0]=2 346 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0523059.0 [0,2,0,0,0,0|0,0,0]=2 347 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0564358.0 [0,2,0,0,0,0|0,0,0]=2 348 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0571835.0 [0,2,0,0,0,0|0,0,0]=2 349 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0572021.0 [0,2,0,0,0,0|0,0,0]=2 350 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0601618.0 [0,2,0,0,0,0|0,0,0]=2 351 B15R0.164 CCCCCCCCCCCCCC(=O)[O-] CNP0606714.0 [0,2,0,0,0,0|0,0,0]=2 352 B15R0.164 CCCCCCCCCCCCCC(C)C CNP0173042.0 [0,2,0,0,0,0|1,0,1]=4 353 B15R0.164 CCCCCCCCCCCCC[C@@H](C)O CNP0286674.1 [0,2,0,0,0,0|0,0,2]=4 354 B15R0.164 CCCCCCCCCCCCC[C@H](C)O CNP0286674.2 [0,2,0,0,0,0|0,0,2]=4 355 B15R0.164 CCCCCCCCCCCCOC(=O)C CNP0114177.0 [0,2,0,0,0,0|0,0,0]=2 356 B15R0.164 CCCCCCCCCCCCOC(C)C CNP0155066.0 [0,2,0,0,0,0|1,0,1]=4 357 B15R0.164 CCCOCCCCCCCCCC(=O)O CNP0135214.0 [0,2,0,0,0,0|0,0,0]=2 358 B15R0.164 O=C(O)CCCCCCCCCCCCO CNP0104071.0 [0,2,0,0,0,0|0,0,0]=2 359 B15R0.164 O=CCCCCCCCCCCCC(=O)O CNP0017740.0 [0,2,0,0,0,0|0,0,1]=3 360 B15R0.2002 C=C(C=CC=O)CCCCCCCCCC CNP0133880.0 [0,2,0,0,0,0|0,0,2]=4 361 B15R0.2002 CCCCCCCCCC[C@@H](O)CCCO CNP0148861.1 [0,2,0,0,0,0|0,0,2]=4 362 B15R0.2002 CCCCCCCCCC[C@H](C)CCCC CNP0220611.1 [0,2,0,0,0,0|1,0,1]=4 363 B15R0.2002 CCCCCCCCCC[C@H](O)CCCO CNP0148861.2 [0,2,0,0,0,0|0,0,2]=4 364 B15R0.69 CCCCCCCCCCC(C)CC(=O)O CNP0273459.0 [0,2,0,0,0,0|0,0,0]=2 365 B15R0.69 CCCCCCCCCC[C@H](C)OC(=O)C CNP0204455.1 [0,2,0,0,0,0|1,0,0]=3 366 B15R0.69 CCCCCCCCCC[C@H](O)CC(=O)O CNP0272673.1 [0,2,0,0,0,0|0,0,0]=2 367 B15R0.111 CCCC(C)CCCCCCCCC(=O)O CNP0227243.0 [0,2,0,0,0,0|0,0,0]=2 368 B15R0.88 CCCCCCCCCC(=O)NCC(=O)O CNP0004511.0 [0,2,0,0,0,0|1,0,1]=4 369 B15R0.88 CCCCCCCCCC(C)CCC(C)C CNP0411367.0 [0,2,0,0,0,0|1,0,1]=4 370 B15R0.88 CCCCCCCCC[C@H](O)CNC(=O)C CNP0276757.1 [0,2,0,0,0,0|1,0,0]=3 371 B15R0.222 CC(=O)CCCCCC=CCCCC(C)C CNP0227426.0 [0,2,0,0,0,0|0,0,2]=4 372 B15R0.222 CC(=O)OCCCCCCCCCC(=O)O CNP0256330.0 [0,2,0,0,0,0|1,0,1]=4 373 B15R0.222 CC(C)CCCCC=CCCCCC(=O)O CNP0546962.0 [0,2,0,0,0,0|0,0,2]=4 374 B15R0.222 CC(C)CCCCCCCCCCC(=O)O CNP0189217.0 [0,2,0,0,0,0|0,0,0]=2 375 B15R0.222 CC(C)CCCCCCCCCC[C@H](C)O CNP0353141.1 [0,2,0,0,0,0|0,0,2]=4 376 B15R0.222 NC(=O)CCCCCCCCCCC(=O)N CNP0209978.0 [0,2,0,0,0,0|1,0,1]=4 377 B15R0.222 O=C(O)CCCCCCCCCCC(=O)O CNP0293008.0 [0,2,0,0,0,0|1,0,1]=4 378 B15R0.252 CCCCCCCCCCCCS(=O)(=O)O CNP0533311.0 [0,2,0,0,0,0|1,0,0]=3 379 B15R0.252 CCCCCCCCCCCC[N+](C)(C)C CNP0590333.0 [0,2,0,0,0,0|2,0,0]=4 380 B15R0.252 CCCCCCCCCCCC[N+](C)(C)[O-] CNP0560879.0 [0,2,0,0,0,0|1,0,1]=4 381 B15R0.252 O=P(O)(O)CCCCCCCCCCCO CNP0496595.0 [0,2,0,0,0,0|2,0,0]=4 382 B15R0.3219 CCCCCCCCCC(CC)CCCC CNP0538030.0 [0,2,0,0,0,0|1,0,1]=4 383 B13R1.28 CCCCCCCC1CCCCC1 CNP0076836.0 [1,0,0,1,0,0|0,0,1]=3 384 B13R1.119 CCCCCCCCC1CCCC1 CNP0080496.0 [1,0,0,1,0,0|0,0,1]=3 385 B13R1.279 O=C1CCCCCCCCCCC1 CNP0294882.0 [1,0,0,1,0,0|0,0,0]=2 386 B13R1.279 O=C1CCCCCCCCCCO1 CNP0348572.0 [1,0,0,1,0,0|1,0,0]=3 387 B13R1.279 OC1CCCCCCCCCCC1 CNP0367434.0 [1,0,0,1,0,0|0,0,1]=3 388 B13R1.555 CCCCOCC1OCCCC1=O CNP0382719.0 [1,0,0,1,0,0|2,0,0]=4 389 B13R1.654 CCCCCCCC1CCCC1=O CNP0079998.0 [1,0,0,1,0,0|0,0,0]=2 390 B13R1.2883 C1CCCCCCCCCCCC1 CNP0566911.0 [1,0,0,1,0,0|0,0,1]=3 391 B15R1.6595 C[C@H]1CCCCCCCNCCCNC1 CNP0145733.1 [0,1,0,1,0,0|2,0,0]=4 392 B15R1.6595 O=C1C=CCCCCCCCCCCC1 CNP0071987.0 [0,1,0,1,0,0|0,0,1]=3 393 B15R1.6595 O=C1CCCC=CCCCCCCCC1 CNP0321790.0 [0,1,0,1,0,0|0,0,1]=3 394 B15R1.6595 O=C1CCCCCCCCCCCCC1 CNP0211498.0 [0,1,0,1,0,0|0,0,0]=2 395 B15R1.6595 O=C1CCCCCCCCCCCCO1 CNP0407259.0 [0,1,0,1,0,0|0,0,0]=2 396 B15R1.106 CCCCCCCCC1CCCC(=O)O1 CNP0174932.0 [0,1,0,1,0,0|0,0,0]=2 397 B15R1.253 N[C@H]1CCCCCCCCCCNC1=O CNP0547506.1 [0,1,0,1,0,0|1,0,0]=3 398 B15R1.35 CCCCCCCCCC1=NCCCC1 CNP0450651.0 [0,1,0,1,0,0|1,0,1]=4 399 B15R1.35 CCCCCCCCCC1CCCCC1 CNP0080463.0 [0,1,0,1,0,0|1,0,1]=4 400 B15R1.2988 C1CCCCCCCCCCCCCC1 CNP0076970.0 [0,1,0,1,0,0|1,0,1]=4 401 B15R1.3873 O=CC=C1CCCCCCCCCCC1 CNP0338593.0 [0,1,0,1,0,0|0,0,1]=3 402 B15R1.5365 CCCCCCCC[C@@H]1CC(=O)CC1=O CNP0321800.1 [0,1,0,1,0,0|0,0,1]=3 403 B15R1.5737 C[C@@H]1CCCCCCCCCCC(=O)C1 CNP0104860.1 [0,1,0,1,0,0|0,0,0]=2 404 B15R1.5737 C[C@@H]1CCCCCCCCCCC(=O)O1 CNP0233115.1 [0,1,0,1,0,0|0,0,0]=2 405 B15R1.1941 CCCCCCC[C@@H]1C[C@H]1CCC(=O)O CNP0253160.1 [0,1,0,1,0,0|0,0,0]=2 406 B15R1.11847 CCCCCC[C@H]1C[C@H]1CCCC(=O)O CNP0431634.1 [0,1,0,1,0,0|0,0,0]=2 407 B15R1.11891 CCCCCC/C=C\C[C@@H]1C[C@H]1C(=O)O CNP0071923.1 [0,1,0,1,0,0|0,0,2]=4 408 B15R2.2196 C1CCC(CC1)CCCC2CCCC2 CNP0341659.0 [0,0,0,2,0,0|1,0,1]=4 409 B15R2.352 CCCC[C@H]1CC[C@H]2CCCC[C@H]2N1 CNP0151122.1 [0,0,0,2,0,0|1,0,1]=4 410 B15R2.8789 O=C1OCCC[C@@H]1C2CCCCCC2 CNP0054217.1 [0,0,0,2,0,0|1,0,0]=3 411 B15R2.8789 O=C1OCCC[C@H]1C2CCCCCC2 CNP0054217.2 [0,0,0,2,0,0|1,0,0]=3 412 B15R2.23366 C1CCCC(CC1)C2CCCCCC2 CNP0086239.0 [0,0,0,2,0,0|1,0,1]=4