0 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,0,0,0,0,0|2,0,2]=4 3 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,0,0,0,0,0|1,0,3]=4 4 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,0,0,0,0,0|0,0,2]=2 6 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,0,0,0,0,0|1,0,2]=3 7 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,0,0,0,0,0|2,0,2]=4 8 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,0,0,0,0,0|1,0,0]=1 11 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,0,0,0,0,0|2,0,0]=2 12 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,0,0,0,0,0|1,0,2]=3 15 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [0,0,0,0,0,0|2,0,2]=4 16 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,0,0,0,0,0|0,0,0]=0 17 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.5 O=CCCSC(=O)CCS CNP0552323.0 [0,0,0,0,0,0|2,1,1]=4 21 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [1,0,0,0,0,0|1,0,2]=4 22 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [1,0,0,0,0,0|0,0,2]=3 23 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,0,0,0,0,0|0,0,2]=3 24 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [1,0,0,0,0,0|1,0,0]=2 25 B8R0.1 CCCC(S)CCOC CNP0309037.0 [1,0,0,0,0,0|1,1,1]=4 26 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,0,0,0,0,0|0,0,0]=1 27 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,0,0,0,0,0|1,0,0]=2 28 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,0,0,0,0,0|1,0,1]=3 29 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [1,0,0,0,0,0|0,0,2]=3 30 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,0,0,0,0,0|0,0,0]=1 31 B8R0.1 CCCOC(C)OCC CNP0154058.0 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.1 CCCS[S+]([O-])CCC CNP0505813.0 [1,0,0,0,0,0|1,1,1]=4 33 B8R0.1 CCCS[S@+]([O-])CCC CNP0505813.1 [1,0,0,0,0,0|1,1,1]=4 34 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [1,0,0,0,0,0|2,0,1]=4 35 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [1,0,0,0,0,0|2,0,1]=4 36 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,0,0,0,0,0|2,0,0]=3 38 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,0,0,0,0,0|1,0,2]=4 39 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,0,0,0,0,0|1,0,1]=3 40 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.4 CCCC#CCCCC CNP0399647.0 [1,0,0,0,0,0|1,0,1]=3 42 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,0,0,0,0,0|1,0,0]=2 43 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,0,0,0,0,0|2,0,0]=3 44 B8R0.4 CCCCC=CCC=O CNP0207183.0 [1,0,0,0,0,0|2,0,1]=4 45 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,0,0,0,0,0|2,0,0]=3 46 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.4 CCCCCCCCC CNP0402619.0 [1,0,0,0,0,0|1,0,1]=3 48 B8R0.4 CCCCCCCCN CNP0065900.0 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.4 CCCCCCCCO CNP0368614.0 [1,0,0,0,0,0|2,0,1]=4 50 B8R0.4 CCCCCCCNC CNP0216624.0 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.4 CCCCCCOCC CNP0609034.0 [1,0,0,0,0,0|2,0,1]=4 52 B8R0.4 CCCCNCCCC CNP0203128.0 [1,0,0,0,0,0|1,0,1]=3 53 B8R0.4 CCCCOCCCC CNP0077266.0 [1,0,0,0,0,0|0,0,1]=2 54 B8R0.4 CCCCOCCCO CNP0141373.0 [1,0,0,0,0,0|1,0,1]=3 55 B8R0.4 CCCCSCCCC CNP0370059.0 [1,0,0,0,0,0|0,1,1]=3 56 B8R0.4 CCCCSSCCC CNP0003137.0 [1,0,0,0,0,0|1,1,0]=3 57 B8R0.4 CCCSSSCCC CNP0085911.0 [1,0,0,0,0,0|2,1,0]=4 58 B8R0.4 COCCOCCOC CNP0466646.0 [1,0,0,0,0,0|2,0,1]=4 59 B8R0.4 NCCCOCCCN CNP0453820.0 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [1,0,0,0,0,0|1,0,2]=4 61 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [1,0,0,0,0,0|0,0,2]=3 62 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [1,0,0,0,0,0|1,0,2]=4 63 B8R0.6 CCC(C)OCCCO CNP0593328.0 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,0,0,0,0,0|1,0,1]=3 65 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [1,0,0,0,0,0|2,0,1]=4 66 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,0,0,0,0,0|1,0,0]=2 67 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,0,0,0,0,0|2,0,0]=3 68 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,0,0,0,0,0|2,0,0]=3 69 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,0,0,0,0,0|2,0,0]=3 70 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [1,0,0,0,0,0|1,0,2]=4 71 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,0,0,0,0,0|2,0,1]=4 72 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [1,0,0,0,0,0|1,0,2]=4 73 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,0,0,0,0,0|0,0,0]=1 74 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [1,0,0,0,0,0|2,0,1]=4 75 B8R0.6 COC(=O)CCCSC CNP0313998.0 [1,0,0,0,0,0|3,0,0]=4 76 B8R0.6 COCCCC(=O)OC CNP0580088.0 [1,0,0,0,0,0|3,0,0]=4 77 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [0,1,0,0,0,0|0,0,1]=2 78 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,1,0,0,0,0|2,0,1]=4 79 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,1,0,0,0,0|1,0,0]=2 80 B10R0.1 CCCC(=O)NCCCCCl CNP0333987.0 [0,1,0,0,0,0|1,0,0]=2 81 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [0,1,0,0,0,0|0,0,0]=1 82 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [0,1,0,0,0,0|0,0,1]=2 83 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,1,0,0,0,0|2,0,0]=3 84 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,1,0,0,0,0|2,0,0]=3 85 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,1,0,0,0,0|2,0,0]=3 86 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [0,1,0,0,0,0|1,0,2]=4 87 B10R0.1 CCCCCC[C@H](C)CCC CNP0332545.1 [0,1,0,0,0,0|2,0,1]=4 88 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,1,0,0,0,0|0,0,0]=1 89 B10R0.1 CCCCCO[C@H](C)OCC CNP0125234.1 [0,1,0,0,0,0|2,0,1]=4 90 B10R0.1 CCCN(N)CCCCCN CNP0546326.0 [0,1,0,0,0,0|3,0,0]=4 91 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,1,0,0,0,0|2,0,0]=3 92 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,1,0,0,0,0|2,0,1]=4 93 B10R0.2 CCCC(=O)OC(=O)CCC CNP0001510.0 [0,1,0,0,0,0|0,0,1]=2 94 B10R0.2 CCCC(=O)OC(C)CCC CNP0118403.0 [0,1,0,0,0,0|0,0,0]=1 95 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,1,0,0,0,0|2,0,0]=3 96 B10R0.2 CCOC(=O)OC(=O)OCC CNP0003163.0 [0,1,0,0,0,0|2,0,1]=4 97 B10R0.3 C=C(C)CCOC(=O)CCC CNP0525083.0 [0,1,0,0,0,0|0,0,1]=2 98 B10R0.3 C=C(CCO)CCCC(C)C CNP0310766.0 [0,1,0,0,0,0|3,0,0]=4 99 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,1,0,0,0,0|2,0,1]=4 100 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,1,0,0,0,0|0,0,0]=1 101 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [0,1,0,0,0,0|2,0,1]=4 102 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,1,0,0,0,0|2,0,1]=4 103 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,1,0,0,0,0|2,0,1]=4 104 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,1,0,0,0,0|2,0,0]=3 105 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,1,0,0,0,0|2,0,0]=3 106 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [0,1,0,0,0,0|2,0,0]=3 107 B10R0.6 CC(C)CC(=O)NCCC=O CNP0412095.0 [0,1,0,0,0,0|2,0,1]=4 108 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [0,1,0,0,0,0|1,0,2]=4 109 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,1,0,0,0,0|2,0,1]=4 110 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,1,0,0,0,0|2,0,0]=3 111 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,1,0,0,0,0|0,0,1]=2 112 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [0,1,0,0,0,0|0,0,0]=1 113 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [0,1,0,0,0,0|0,0,0]=1 114 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [0,1,0,0,0,0|0,0,0]=1 115 B10R0.6 CCCCOC(=O)NC(=O)N CNP0536572.0 [0,1,0,0,0,0|2,0,1]=4 116 B10R0.6 COCCOC(=O)C[C@@H](C)O CNP0205160.1 [0,1,0,0,0,0|1,0,0]=2 117 B10R0.19 CCCCC(=O)[C@@H](C)CCC CNP0177247.2 [0,1,0,0,0,0|2,0,1]=4 118 B10R0.19 CCCCC(=O)[C@H](C)CCC CNP0177247.1 [0,1,0,0,0,0|2,0,1]=4 119 B10R0.19 CCCCC(C)C(C)CCC CNP0086078.0 [0,1,0,0,0,0|2,0,1]=4 120 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,1,0,0,0,0|2,0,0]=3 121 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,1,0,0,0,0|2,0,0]=3 122 B10R0.19 CCCC[C@H](O)[C@@H](C)CCC CNP0167037.1 [0,1,0,0,0,0|2,0,1]=4 123 B10R0.19 CCCC[C@H](O)[C@H](C)CCC CNP0167037.2 [0,1,0,0,0,0|2,0,1]=4 124 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [0,1,0,0,0,0|3,0,0]=4 125 B10R0.24 CCCCC=C(C=O)CCC CNP0589946.0 [0,1,0,0,0,0|1,0,0]=2 126 B10R0.24 CCCCCC(CO)CCC CNP0552368.0 [0,1,0,0,0,0|1,0,2]=4 127 B10R0.24 CSCCC=C(C=O)CSC CNP0002763.0 [0,1,0,0,0,0|3,0,0]=4 128 B10R0.83 C=C(C#N)C(=O)OCCCC CNP0582934.0 [0,1,0,0,0,0|1,0,2]=4 129 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [0,1,0,0,0,0|1,0,2]=4 130 B10R0.83 CC=C(C)C(=O)OCCCC CNP0152613.0 [0,1,0,0,0,0|0,0,2]=3 131 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [0,1,0,0,0,0|0,0,0]=1 132 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,1,0,0,0,0|1,0,2]=4 133 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [0,1,0,0,0,0|1,0,2]=4 134 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,1,0,0,0,0|1,0,1]=3 135 B10R0.91 CCCCC(=O)C#CCCO CNP0155413.0 [0,1,0,0,0,0|2,0,1]=4 136 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [0,1,0,0,0,0|2,0,0]=3 137 B10R0.91 CCCCCC(=O)C#CCO CNP0412381.0 [0,1,0,0,0,0|1,0,2]=4 138 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [0,1,0,0,0,0|1,0,2]=4 139 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,1,0,0,0,0|1,0,1]=3 140 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,1,0,0,0,0|1,0,0]=2 141 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,1,0,0,0,0|1,0,0]=2 142 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,1,0,0,0,0|2,0,0]=3 143 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [0,1,0,0,0,0|1,0,0]=2 144 B10R0.91 CCCCC[C@@H](C)CCCC CNP0127873.2 [0,1,0,0,0,0|2,0,1]=4 145 B10R0.91 CCCCC[C@@H](C)CCCO CNP0181655.1 [0,1,0,0,0,0|2,0,1]=4 146 B10R0.91 CCCCC[C@H](C)CCCC CNP0127873.1 [0,1,0,0,0,0|2,0,1]=4 147 B10R0.91 CCCCC[C@H](C)CCCO CNP0181655.2 [0,1,0,0,0,0|2,0,1]=4 148 B10R0.91 CCCCOC(=O)CCCC CNP0085853.0 [0,1,0,0,0,0|0,0,0]=1 149 B10R0.91 CCCCOC(=O)CN=C=O CNP0504348.0 [0,1,0,0,0,0|1,0,1]=3 150 B10R0.91 CCCCS[S@+]([O-])CCCC CNP0524269.1 [0,1,0,0,0,0|1,1,1]=4 151 B10R0.91 CCCCS[S@H+]([O-])CCCC CNP0530944.1 [0,1,0,0,0,0|1,1,1]=4 152 B10R0.91 CCCC[Se]C(=O)CCCC CNP0604167.0 [0,1,0,0,0,0|0,1,0]=2 153 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [0,1,0,0,0,0|0,0,0]=1 154 B10R0.108 CCCC(=O)OC[C@@H](O)CO CNP0583085.2 [0,1,0,0,0,0|1,0,0]=2 155 B10R0.108 CCCC(=O)OC[C@H](O)CO CNP0583085.1 [0,1,0,0,0,0|1,0,0]=2 156 B10R0.156 CCCCCC(C)(C)CCC CNP0534660.0 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,0,0,1,0,0|0,0,0]=1 158 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,0,0,1,0,0|0,0,2]=3 159 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [0,0,0,1,0,0|2,0,1]=4 160 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [0,0,0,1,0,0|2,0,1]=4 161 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,0,0,1,0,0|0,0,2]=3 162 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [0,0,0,1,0,0|2,0,1]=4 163 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [0,0,0,1,0,0|2,0,1]=4 164 B10R1.10 CCNC1=CC(=O)CCC1 CNP0039050.0 [0,0,0,1,0,0|2,0,1]=4 165 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,0,0,1,0,0|2,0,1]=4 166 B10R1.10 CCO[C@@H]1CSCC(=O)N1 CNP0053864.1 [0,0,0,1,0,0|3,0,0]=4 167 B10R1.10 CCO[C@H]1CSCC(=O)N1 CNP0053864.2 [0,0,0,1,0,0|3,0,0]=4 168 B10R1.11 CCCC(C)C1CCCC1 CNP0519344.0 [0,0,0,1,0,0|2,0,1]=4 169 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [0,0,0,1,0,0|3,0,0]=4 170 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [0,0,0,1,0,0|3,0,0]=4 171 B10R1.21 CCCCCC1CCCC1 CNP0373641.0 [0,0,0,1,0,0|2,0,1]=4 172 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,0,0,1,0,0|1,0,0]=2 173 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,0,0,1,0,0|1,0,0]=2 174 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,0,0,1,0,0|2,0,0]=3 175 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,0,0,1,0,0|1,0,2]=4 176 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,0,0,1,0,0|1,0,0]=2 177 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [0,0,0,1,0,0|3,0,0]=4 178 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,0,0,1,0,0|2,0,0]=3 179 B10R1.457 CCCCCC1(CC1C)C CNP0570434.0 [0,0,0,1,0,0|2,0,1]=4 180 B7R0.1 CC=CCCCCC CNP0199237.0 [2,0,0,0,0,0|1,0,1]=4 181 B7R0.1 CCC#CCCCC CNP0602501.0 [2,0,0,0,0,0|0,0,2]=4 182 B7R0.1 CCC=CCCCC CNP0084702.0 [2,0,0,0,0,0|0,0,1]=3 183 B7R0.1 CCC=CCCCO CNP0003503.0 [2,0,0,0,0,0|1,0,1]=4 184 B7R0.1 CCCC#CCCC CNP0381743.0 [2,0,0,0,0,0|0,0,2]=4 185 B7R0.1 CCCC=CCCC CNP0541880.0 [2,0,0,0,0,0|0,0,1]=3 186 B7R0.1 CCCC=CCCO CNP0287313.0 [2,0,0,0,0,0|1,0,1]=4 187 B7R0.1 CCCCC=CCO CNP0191159.0 [2,0,0,0,0,0|1,0,1]=4 188 B7R0.1 CCCCCCCC CNP0286567.0 [2,0,0,0,0,0|0,0,1]=3 189 B7R0.1 CCCCCCCN CNP0186919.0 [2,0,0,0,0,0|1,0,1]=4 190 B7R0.1 CCCCCCCO CNP0329737.0 [2,0,0,0,0,0|1,0,1]=4 191 B7R0.1 CCCCCCNC CNP0413437.0 [2,0,0,0,0,0|1,0,1]=4 192 B7R0.1 CCCCCOCC CNP0520137.0 [2,0,0,0,0,0|1,0,1]=4 193 B7R0.1 CCCCNCCO CNP0185911.0 [2,0,0,0,0,0|2,0,0]=4 194 B7R0.1 CCCCOCCO CNP0080154.0 [2,0,0,0,0,0|1,0,0]=3 195 B7R0.1 CCCSSCCC CNP0328321.0 [2,0,0,0,0,0|1,1,0]=4 196 B7R0.1 COCCOCCO CNP0610336.0 [2,0,0,0,0,0|2,0,0]=4 197 B7R0.3 C=C(CC)CCCC CNP0084703.0 [2,0,0,0,0,0|1,0,0]=3 198 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [2,0,0,0,0,0|0,0,2]=4 199 B7R0.3 CCC(=O)CCSC CNP0003468.0 [2,0,0,0,0,0|1,0,0]=3 200 B7R0.3 CCC(=O)OCCO CNP0095595.0 [2,0,0,0,0,0|1,0,0]=3 201 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [2,0,0,0,0,0|0,0,2]=4 202 B7R0.3 CCCC=C(C)CC CNP0263169.0 [2,0,0,0,0,0|1,0,1]=4 203 B7R0.3 CCCCC(=O)CC CNP0286726.0 [2,0,0,0,0,0|0,0,0]=2 204 B7R0.3 CCCCC(=O)OC CNP0184855.0 [2,0,0,0,0,0|1,0,0]=3 205 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [2,0,0,0,0,0|1,0,1]=4 206 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [2,0,0,0,0,0|1,0,1]=4 207 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [2,0,0,0,0,0|0,0,2]=4 208 B7R0.3 CCCOC(=O)CC CNP0296678.0 [2,0,0,0,0,0|0,0,0]=2 209 B7R0.3 CCOCC(=O)OC CNP0306071.0 [2,0,0,0,0,0|2,0,0]=4 210 B7R0.3 COC(=O)CCSC CNP0302353.0 [2,0,0,0,0,0|2,0,0]=4 211 B7R0.7 C=C(CCC)CCC CNP0515689.0 [2,0,0,0,0,0|1,0,0]=3 212 B7R0.7 C=C(OCC)OCC CNP0510072.0 [2,0,0,0,0,0|2,0,0]=4 213 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [2,0,0,0,0,0|0,0,2]=4 214 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [2,0,0,0,0,0|0,0,2]=4 215 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [2,0,0,0,0,0|0,0,2]=4 216 B7R0.7 CCC=C(C)CCC CNP0345457.0 [2,0,0,0,0,0|1,0,1]=4 217 B7R0.7 CCCC(=O)CCC CNP0310318.0 [2,0,0,0,0,0|0,0,0]=2 218 B7R0.7 CCCC(=O)OCC CNP0232050.0 [2,0,0,0,0,0|0,0,0]=2 219 B7R0.7 CCCC(=S)OCC CNP0612025.0 [2,0,0,0,0,0|0,1,0]=3 220 B7R0.7 CCCC(C)CCC CNP0137963.0 [2,0,0,0,0,0|1,0,1]=4 221 B7R0.7 CCCC(O)CCC CNP0407378.0 [2,0,0,0,0,0|0,0,2]=4 222 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [2,0,0,0,0,0|1,0,1]=4 223 B7R0.7 CCOC(=O)CCS CNP0347470.0 [2,0,0,0,0,0|1,0,0]=3 224 B7R0.7 CCOC(=O)CNC CNP0575591.0 [2,0,0,0,0,0|1,0,0]=3 225 B7R0.7 CCOC(=O)CSC CNP0330528.0 [2,0,0,0,0,0|1,0,0]=3 226 B7R0.7 CCOC(=O)OCC CNP0167765.0 [2,0,0,0,0,0|1,0,0]=3 227 B7R0.7 CCOP(=O)OCC CNP0575132.0 [2,0,0,0,0,0|2,0,0]=4 228 B7R0.4 CC(=O)OCCCS CNP0325111.0 [2,0,0,0,0,0|1,0,0]=3 229 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [2,0,0,0,0,0|1,0,1]=4 230 B7R0.4 CCCCCC(=O)C CNP0240774.0 [2,0,0,0,0,0|1,0,0]=3 231 B7R0.4 CCCCCC(=O)N CNP0077222.0 [2,0,0,0,0,0|2,0,0]=4 232 B7R0.4 CCCCCC(=O)O CNP0210437.0 [2,0,0,0,0,0|2,0,0]=4 233 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [2,0,0,0,0,0|2,0,0]=4 234 B7R0.4 CCCCOC(=O)C CNP0158571.0 [2,0,0,0,0,0|0,0,0]=2 235 B7R0.4 CCCSOC(=O)C CNP0411356.0 [2,0,0,0,0,0|1,0,0]=3 236 B7R0.4 CCOCCC(=O)C CNP0086134.0 [2,0,0,0,0,0|2,0,0]=4 237 B7R0.4 COCCCC(=O)C CNP0580201.0 [2,0,0,0,0,0|2,0,0]=4 238 B7R0.4 COCCOC(=O)C CNP0278807.0 [2,0,0,0,0,0|1,0,0]=3 239 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [1,1,0,0,0,0|0,0,2]=4 240 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [1,1,0,0,0,0|0,0,2]=4 241 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [1,1,0,0,0,0|0,0,1]=3 242 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [1,1,0,0,0,0|1,0,0]=3 243 B9R0.4 CCCC[C@@H](O)CC(C)C CNP0080555.1 [1,1,0,0,0,0|0,0,2]=4 244 B9R0.4 CCCC[C@H](O)CC(C)C CNP0080555.2 [1,1,0,0,0,0|0,0,2]=4 245 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [1,1,0,0,0,0|1,0,1]=4 246 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [1,1,0,0,0,0|0,0,0]=2 247 B9R0.8 CC=C(C)C(=O)OCCC CNP0003448.0 [1,1,0,0,0,0|0,0,2]=4 248 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [1,1,0,0,0,0|1,0,1]=4 249 B9R0.8 CCCCC(C)C(C)CC CNP0516887.0 [1,1,0,0,0,0|1,0,1]=4 250 B9R0.8 CCCC[C@@H](O)[C@H](C)CC CNP0267749.1 [1,1,0,0,0,0|0,0,2]=4 251 B9R0.8 CCCC[C@H](O)[C@@H](C)CC CNP0267749.2 [1,1,0,0,0,0|0,0,2]=4 252 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [1,1,0,0,0,0|0,0,0]=2 253 B9R0.8 CC[C@@H](C)C(=O)SCSC CNP0147868.1 [1,1,0,0,0,0|1,1,0]=4 254 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [1,1,0,0,0,0|0,0,2]=4 255 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [1,1,0,0,0,0|0,0,0]=2 256 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [1,1,0,0,0,0|0,0,0]=2 257 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [1,1,0,0,0,0|1,0,0]=3 258 B9R0.18 CCCC[S+]([O-])CCCC CNP0610540.0 [1,1,0,0,0,0|1,0,1]=4 259 B9R0.18 CCCOS(=O)OCCC CNP0081953.0 [1,1,0,0,0,0|1,0,0]=3 260 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [1,1,0,0,0,0|0,0,0]=2 261 B9R0.34 CCCC(C)CC(C)CC CNP0083059.0 [1,1,0,0,0,0|1,0,1]=4 262 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [1,1,0,0,0,0|2,0,0]=4 263 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [1,1,0,0,0,0|1,0,0]=3 264 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [1,1,0,0,0,0|1,0,0]=3 265 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [1,1,0,0,0,0|0,0,1]=3 266 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [1,1,0,0,0,0|0,0,0]=2 267 B9R0.35 CCC[C@@H](O)[C@@H](C)CCC CNP0244344.1 [1,1,0,0,0,0|0,0,2]=4 268 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [1,1,0,0,0,0|1,0,0]=3 269 B9R0.40 CCCCC(CC)CCC CNP0569100.0 [1,1,0,0,0,0|1,0,1]=4 270 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [1,1,0,0,0,0|0,0,1]=3 271 B9R0.48 CC=CC(=O)OCC(C)C CNP0002921.0 [1,1,0,0,0,0|0,0,2]=4 272 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [1,1,0,0,0,0|0,0,1]=3 273 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [1,1,0,0,0,0|1,0,1]=4 274 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [1,1,0,0,0,0|1,0,0]=3 275 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [1,1,0,0,0,0|0,0,0]=2 276 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [1,1,0,0,0,0|0,0,2]=4 277 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [1,1,0,0,0,0|1,0,1]=4 278 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [1,1,0,0,0,0|1,0,0]=3 279 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [1,1,0,0,0,0|2,0,0]=4 280 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [1,1,0,0,0,0|1,0,1]=4 281 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [1,1,0,0,0,0|1,0,1]=4 282 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [1,1,0,0,0,0|1,0,1]=4 283 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [1,1,0,0,0,0|1,0,1]=4 284 B9R0.45 CCC=CCCCCCC CNP0223572.0 [1,1,0,0,0,0|1,0,1]=4 285 B9R0.45 CCC=CCCCCCO CNP0246173.0 [1,1,0,0,0,0|1,0,1]=4 286 B9R0.45 CCCC#CCCCCC CNP0576219.0 [1,1,0,0,0,0|1,0,1]=4 287 B9R0.45 CCCC=CCCCCC CNP0076954.0 [1,1,0,0,0,0|1,0,0]=3 288 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [1,1,0,0,0,0|1,0,1]=4 289 B9R0.45 CCCCCC=CCCO CNP0111850.0 [1,1,0,0,0,0|1,0,1]=4 290 B9R0.45 CCCCCCCCCC CNP0279708.0 [1,1,0,0,0,0|1,0,1]=4 291 B9R0.45 CCCCCCCCCI CNP0565198.0 [1,1,0,0,0,0|1,0,1]=4 292 B9R0.45 CCCCCCCCCO CNP0307663.0 [1,1,0,0,0,0|1,0,1]=4 293 B9R0.45 CCCCCCCCOC CNP0305574.0 [1,1,0,0,0,0|1,0,1]=4 294 B9R0.45 CCCCCCCOCC CNP0144632.0 [1,1,0,0,0,0|1,0,1]=4 295 B9R0.45 CCCCCCOCCC CNP0488672.0 [1,1,0,0,0,0|1,0,1]=4 296 B9R0.45 CCCCCOCCCC CNP0134382.0 [1,1,0,0,0,0|0,0,1]=3 297 B9R0.45 CCCCOCCCCO CNP0571704.0 [1,1,0,0,0,0|0,0,1]=3 298 B9R0.45 CCOCCOCCOC CNP0567615.0 [1,1,0,0,0,0|1,0,1]=4 299 B9R0.45 NCCCC=NCCCN CNP0087319.0 [1,1,0,0,0,0|2,0,0]=4 300 B9R0.46 CCCC#CCC(O)CC CNP0082068.0 [1,1,0,0,0,0|1,0,1]=4 301 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [1,1,0,0,0,0|1,0,1]=4 302 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [1,1,0,0,0,0|1,0,1]=4 303 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [1,1,0,0,0,0|1,0,1]=4 304 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [1,1,0,0,0,0|1,0,1]=4 305 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [1,1,0,0,0,0|0,0,0]=2 306 B9R0.1 CCC(=O)OCC[N+](=O)[O-] CNP0502112.0 [1,1,0,0,0,0|2,0,0]=4 307 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [1,1,0,0,0,0|2,0,0]=4 308 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [1,1,0,0,0,0|1,0,1]=4 309 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [1,1,0,0,0,0|1,0,0]=3 310 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [1,1,0,0,0,0|1,0,0]=3 311 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [1,1,0,0,0,0|0,0,0]=2 312 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [1,1,0,0,0,0|2,0,0]=4 313 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [1,1,0,0,0,0|0,0,1]=3 314 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [1,1,0,0,0,0|1,0,1]=4 315 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [1,1,0,0,0,0|2,0,0]=4 316 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [1,1,0,0,0,0|1,0,0]=3 317 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [1,1,0,0,0,0|0,0,0]=2 318 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [1,1,0,0,0,0|0,0,0]=2 319 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [1,1,0,0,0,0|1,0,0]=3 320 B11R0.2 CCCCCOC(=O)CC(C)C CNP0135492.0 [0,2,0,0,0,0|0,0,0]=2 321 B11R0.4 C=CC=CCCOC(=O)CCC CNP0281096.0 [0,2,0,0,0,0|0,0,2]=4 322 B11R0.4 CC=CC(=O)OCCC=CCC CNP0265278.0 [0,2,0,0,0,0|0,0,2]=4 323 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,2,0,0,0,0|0,0,2]=4 324 B11R0.4 CC=CC=CCOC(=O)CCC CNP0328344.0 [0,2,0,0,0,0|0,0,2]=4 325 B11R0.4 CC=CCCCOC(=O)CCC CNP0508923.0 [0,2,0,0,0,0|0,0,0]=2 326 B11R0.4 CCC=CCCOC(=O)CCC CNP0286866.0 [0,2,0,0,0,0|0,0,0]=2 327 B11R0.4 CCCC=CCCC(=O)OCC CNP0257239.0 [0,2,0,0,0,0|2,0,0]=4 328 B11R0.4 CCCC=CCOC(=O)CCC CNP0260808.0 [0,2,0,0,0,0|0,0,0]=2 329 B11R0.4 CCCCC=CCC(=O)OCC CNP0229476.0 [0,2,0,0,0,0|2,0,0]=4 330 B11R0.4 CCCCCC#CC(=O)OCC CNP0603684.0 [0,2,0,0,0,0|2,0,0]=4 331 B11R0.4 CCCCCC=CC(=O)OCC CNP0259768.0 [0,2,0,0,0,0|2,0,0]=4 332 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [0,2,0,0,0,0|1,0,0]=3 333 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [0,2,0,0,0,0|2,0,0]=4 334 B11R0.4 CCCCCCOC(=O)CCC CNP0153531.0 [0,2,0,0,0,0|0,0,0]=2 335 B11R0.5 CCCCC(=CC(=O)OCC)Br CNP0310959.0 [0,2,0,0,0,0|2,0,0]=4 336 B11R0.5 CCCCC(C)OC(=O)CCC CNP0547746.0 [0,2,0,0,0,0|0,0,0]=2 337 B11R0.81 C=C(CCCC)OCCCCC CNP0385438.0 [0,2,0,0,0,0|1,0,0]=3 338 B11R0.81 CCCC=COC(=O)CCCC CNP0496892.0 [0,2,0,0,0,0|0,0,1]=3 339 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [0,2,0,0,0,0|1,0,1]=4 340 B11R0.81 CCCCCCC(=O)OCCC CNP0320924.0 [0,2,0,0,0,0|1,0,0]=3 341 B11R0.81 CCCCCOC(=O)CCCC CNP0079884.0 [0,2,0,0,0,0|0,0,0]=2 342 B11R0.142 CC=C(C)C(=O)OCCCCC CNP0541757.0 [0,2,0,0,0,0|0,0,2]=4 343 B11R0.142 CCCCCOC(=O)[C@H](C)CC CNP0234090.1 [0,2,0,0,0,0|0,0,0]=2 344 B11R0.174 CCCC(=O)OCCC(C)CC CNP0235877.0 [0,2,0,0,0,0|0,0,0]=2 345 B11R0.176 CCCC(=O)OCCCC(C)C CNP0508013.0 [0,2,0,0,0,0|0,0,0]=2 346 B11R0.176 CCOC(=O)CCCCC(C)C CNP0312915.0 [0,2,0,0,0,0|2,0,0]=4 347 B11R0.176 CCOC(=O)CCCC[C@H](C)O CNP0017820.1 [0,2,0,0,0,0|2,0,0]=4 348 B11R0.6 C=C(C)CCOC(=O)CC(=C)C CNP0386732.0 [0,2,0,0,0,0|0,0,2]=4 349 B11R0.6 C=C(C)CCOC(=O)CC(C)C CNP0147789.0 [0,2,0,0,0,0|0,0,1]=3 350 B11R0.6 CC(=CC(=O)OCCC(C)C)C CNP0302991.0 [0,2,0,0,0,0|0,0,2]=4 351 B11R0.6 CC(=CCOC(=O)CC(C)C)C CNP0115393.0 [0,2,0,0,0,0|0,0,2]=4 352 B11R0.6 CC(=O)CC(=O)OCCC(C)C CNP0002893.0 [0,2,0,0,0,0|0,0,1]=3 353 B11R0.6 CC(C)CCOC(=O)CC(C)C CNP0335578.0 [0,2,0,0,0,0|0,0,0]=2 354 B11R0.145 CC=C(C)C(=O)OCCC(C)C CNP0234140.0 [0,2,0,0,0,0|0,0,2]=4 355 B11R0.145 CC[C@@H](C)C(=O)OCCC(C)C CNP0330262.1 [0,2,0,0,0,0|0,0,0]=2 356 B11R0.147 CCCCC(=O)OCCC(C)C CNP0141436.0 [0,2,0,0,0,0|0,0,0]=2 357 B11R0.180 CCCC(=O)OCC[N+](C)(C)C CNP0549253.0 [0,2,0,0,0,0|1,0,0]=3 358 B11R0.180 CCCC(=O)OCC[N+](C)(C)C CNP0602327.0 [0,2,0,0,0,0|1,0,0]=3 359 B11R0.180 CCCC(=O)SCC[N+](C)(C)C CNP0516061.0 [0,2,0,0,0,0|1,1,0]=4 360 B11R0.107 CC(C)CC(=O)OC[C@H](O)CO CNP0284962.1 [0,2,0,0,0,0|1,0,0]=3 361 B11R0.107 CCC(C)COC(=O)C=C(C)C CNP0003238.0 [0,2,0,0,0,0|0,0,2]=4 362 B11R0.107 CCC(C)COC(=O)CC(C)C CNP0079769.0 [0,2,0,0,0,0|0,0,0]=2 363 B11R0.139 C=C(C(=O)OCCCC)[C@H](C)O CNP0261781.1 [0,2,0,0,0,0|0,0,1]=3 364 B11R0.139 CCCCCC(=O)C(C)C(=O)C CNP0003046.0 [0,2,0,0,0,0|1,0,1]=4 365 B11R0.11 C=C(CCCC)C(C)CCCC CNP0244718.0 [0,2,0,0,0,0|2,0,0]=4 366 B11R0.191 CCCCC(CC)C(=O)OCC CNP0003276.0 [0,2,0,0,0,0|2,0,0]=4 367 B11R0.120 CC=C(C)C(=O)OCC(C)CC CNP0537629.0 [0,2,0,0,0,0|0,0,2]=4 368 B11R0.120 CC[C@@H](C)COC(=O)[C@H](C)CC CNP0303745.3 [0,2,0,0,0,0|0,0,0]=2 369 B11R0.120 CC[C@H](C)COC(=O)[C@@H](C)CC CNP0303745.2 [0,2,0,0,0,0|0,0,0]=2 370 B11R0.120 CC[C@H](C)COC(=O)[C@H](C)CC CNP0303745.1 [0,2,0,0,0,0|0,0,0]=2 371 B11R0.157 CCCCOC(=O)C(CC)CC CNP0609101.0 [0,2,0,0,0,0|0,0,0]=2 372 B11R0.46 CCCCCC(=O)C=CC(C)C CNP0585991.0 [0,2,0,0,0,0|1,0,1]=4 373 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [0,2,0,0,0,0|1,0,0]=3 374 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [0,2,0,0,0,0|1,0,1]=4 375 B11R0.46 CCCCCC(=O)NCC(C)C CNP0299314.0 [0,2,0,0,0,0|1,0,0]=3 376 B11R0.46 CCCCCC(=O)OCC(C)C CNP0258306.0 [0,2,0,0,0,0|1,0,0]=3 377 B11R0.46 CCCCOC(=O)CCC(=O)C CNP0349279.0 [0,2,0,0,0,0|0,0,0]=2 378 B11R0.46 CCCCOC(=O)CCC(=O)O CNP0348497.0 [0,2,0,0,0,0|0,0,1]=3 379 B11R0.70 CCCCC(=O)OCC(C)CC CNP0444894.0 [0,2,0,0,0,0|0,0,0]=2 380 B11R0.70 CCCCC(=O)OC[C@H](O)CO CNP0081553.1 [0,2,0,0,0,0|1,0,0]=3 381 B11R0.140 CCCC=CC(=O)OCCCC CNP0076599.0 [0,2,0,0,0,0|0,0,0]=2 382 B11R0.140 CCCCCC(=O)CCCCC CNP0003552.0 [0,2,0,0,0,0|1,0,0]=3 383 B11R0.140 CCCCCC(=O)OCCCC CNP0132269.0 [0,2,0,0,0,0|0,0,0]=2 384 B11R0.140 CCCCOC(C)OCCCC CNP0262484.0 [0,2,0,0,0,0|1,0,1]=4 385 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [1,0,0,1,0,0|1,0,1]=4 386 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [1,0,0,1,0,0|0,0,0]=2 387 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [1,0,0,1,0,0|2,0,0]=4 388 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [1,0,0,1,0,0|1,0,1]=4 389 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [1,0,0,1,0,0|1,0,0]=3 390 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [1,0,0,1,0,0|1,0,0]=3 391 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [1,0,0,1,0,0|1,0,1]=4 392 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [1,0,0,1,0,0|2,0,0]=4 393 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [1,0,0,1,0,0|1,0,1]=4 394 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [1,0,0,1,0,0|1,0,1]=4 395 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [1,0,0,1,0,0|1,0,0]=3 396 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [1,0,0,1,0,0|0,0,2]=4 397 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|0,0,0]=2 398 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [1,0,0,1,0,0|1,0,1]=4 399 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [1,0,0,1,0,0|1,0,0]=3 400 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [1,0,0,1,0,0|1,0,0]=3 401 B9R1.15 O=C1COCCC1CO CNP0612158.0 [1,0,0,1,0,0|2,0,0]=4 402 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [1,0,0,1,0,0|0,0,0]=2 403 B9R1.22 CC[C@@H]1C[C@@H](C[C@H]1C)C CNP0257399.1 [1,0,0,1,0,0|1,0,1]=4 404 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O CNP0110439.1 [1,0,0,1,0,0|2,0,0]=4 405 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [1,0,0,1,0,0|0,0,2]=4 406 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [1,0,0,1,0,0|2,0,0]=4 407 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [1,0,0,1,0,0|1,0,0]=3 408 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [1,0,0,1,0,0|1,0,0]=3 409 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|0,0,0]=2 410 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [1,0,0,1,0,0|1,0,0]=3 411 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [1,0,0,1,0,0|1,0,1]=4 412 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [1,0,0,1,0,0|1,0,0]=3 413 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [1,0,0,1,0,0|1,0,1]=4 414 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [1,0,0,1,0,0|0,0,0]=2 415 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [1,0,0,1,0,0|0,0,2]=4 416 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [1,0,0,1,0,0|1,0,0]=3 417 B9R1.69 CC1CCC(CC1C)O CNP0084708.0 [1,0,0,1,0,0|0,0,2]=4 418 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [1,0,0,1,0,0|1,0,0]=3 419 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [1,0,0,1,0,0|1,0,1]=4 420 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [1,0,0,1,0,0|1,0,0]=3 421 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [1,0,0,1,0,0|2,0,0]=4 422 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [1,0,0,1,0,0|2,0,0]=4 423 B9R1.16 CCCCCC1CC1C CNP0611992.0 [1,0,0,1,0,0|1,0,1]=4 424 B9R1.103 C1CCCCCCCC1 CNP0112399.0 [1,0,0,1,0,0|1,0,1]=4 425 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [1,0,0,1,0,0|1,0,0]=3 426 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [1,0,0,1,0,0|2,0,0]=4 427 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [1,0,0,1,0,0|2,0,0]=4 428 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [1,0,0,1,0,0|2,0,0]=4 429 B11R1.16 CCOC(=O)C1CCCCC1 CNP0408576.0 [0,1,0,1,0,0|2,0,0]=4 430 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [0,1,0,1,0,0|0,0,0]=2 431 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [0,1,0,1,0,0|1,0,0]=3 432 B11R1.24 CSCC[C@H]1CCNC(=S)O1 CNP0184861.1 [0,1,0,1,0,0|1,1,0]=4 433 B11R1.30 COCC(=O)OC1CCCC1 CNP0525040.0 [0,1,0,1,0,0|1,0,0]=3 434 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,1,0,1,0,0|0,0,1]=3 435 B11R1.180 CCCCCC1=CCCC1=O CNP0080134.0 [0,1,0,1,0,0|1,0,1]=4 436 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [0,1,0,1,0,0|1,0,0]=3 437 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [0,1,0,1,0,0|2,0,0]=4 438 B11R1.230 CCCCC1=C[C@@H](OC1=O)C CNP0177872.2 [0,1,0,1,0,0|2,0,0]=4 439 B11R1.230 CCCCC1=C[C@H](OC1=O)C CNP0177872.1 [0,1,0,1,0,0|2,0,0]=4 440 B11R1.230 CCCC[C@@H]1OC(=O)C[C@@H]1C CNP0241589.2 [0,1,0,1,0,0|0,0,0]=2 441 B11R1.230 CCCC[C@@H]1OC(=O)C[C@H]1C CNP0241589.4 [0,1,0,1,0,0|0,0,0]=2 442 B11R1.230 CCCC[C@H]1OC(=O)C[C@@H]1C CNP0241589.1 [0,1,0,1,0,0|0,0,0]=2 443 B11R1.230 CCCC[C@H]1OC(=O)C[C@H]1C CNP0241589.3 [0,1,0,1,0,0|0,0,0]=2 444 B11R1.34 CCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0210234.1 [0,1,0,1,0,0|0,0,0]=2 445 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [0,1,0,1,0,0|1,0,0]=3 446 B11R1.563 C[C@@H]1CCO[C@H](CC(=O)C1)O CNP0173979.1 [0,1,0,1,0,0|2,0,0]=4 447 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [0,1,0,1,0,0|1,0,0]=3 448 B11R1.157 CC1=N[C@H](CCC1)C[C@@H](C)O CNP0113372.1 [0,1,0,1,0,0|2,0,0]=4 449 B11R1.157 C[C@H](O)C[C@H]1CC=CC(=O)O1 CNP0256359.1 [0,1,0,1,0,0|0,0,2]=4 450 B11R1.157 C[C@H](O)C[C@H]1CCCC(=O)C1 CNP0134374.1 [0,1,0,1,0,0|1,0,0]=3 451 B11R1.38 C=C[C@H]1COC(=O)C[C@@]1(C)N CNP0432860.1 [0,1,0,1,0,0|0,0,2]=4 452 B11R1.143 CN(C)[C@@H]1CCCCNC1=O CNP0362039.1 [0,1,0,1,0,0|2,0,0]=4 453 B11R1.471 CC(=O)C1C(=O)OCC1CO CNP0341196.0 [0,1,0,1,0,0|1,0,1]=4 454 B11R1.85 O=C1CCCCCCCC1=O CNP0559749.0 [0,1,0,1,0,0|1,0,0]=3 455 B11R1.182 C/C=C/[C@@H]1OC(=O)CCC1O CNP0605853.1 [0,1,0,1,0,0|0,0,2]=4 456 B11R1.598 CCCC1=C(C(=O)C[C@@H]1C)O CNP0107939.1 [0,1,0,1,0,0|1,0,1]=4 457 B11R1.28 CCCCCC1=CCCCC1 CNP0080596.0 [0,1,0,1,0,0|2,0,0]=4 458 B11R1.28 CCCCCC1=NCCCC1 CNP0532846.0 [0,1,0,1,0,0|2,0,0]=4 459 B11R1.203 CCCCC1=NCCCCC1 CNP0427788.0 [0,1,0,1,0,0|2,0,0]=4 460 B11R1.285 CCCCC(=O)OCC1CO1 CNP0216897.0 [0,1,0,1,0,0|1,0,0]=3 461 B11R1.465 CCCCC1=C(COC1=O)C CNP0288035.0 [0,1,0,1,0,0|1,0,1]=4 462 B11R1.225 O=C1C[C@@H]([C@@H](O1)[C@@H](O)CO)O CNP0042245.1 [0,1,0,1,0,0|2,0,0]=4 463 B11R2.106 O=C1CCCC2=C1CCC2 CNP0190267.0 [0,0,0,2,0,0|1,0,1]=4 464 B11R2.106 O=C1CCCC2C1=CCC2 CNP0500543.0 [0,0,0,2,0,0|1,0,1]=4 465 B11R2.678 O=C1CC2CCCC(C1)N2 CNP0080266.0 [0,0,0,2,0,0|2,0,0]=4 466 B11R2.1 O=C1CCN2C1CCCC2 CNP0041825.0 [0,0,0,2,0,0|2,0,0]=4 467 B11R2.10 O=C1CC2CCCCC2O1 CNP0524281.0 [0,0,0,2,0,0|0,0,0]=2