0 B8R0.22 CCCC(=NO)CCC CNP0366648.0 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [0,0,0,0,0,0|0,0,2]=2 2 B8R0.22 CCCC(CO)CCC CNP0538708.0 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [0,0,0,0,0,0|4,0,0]=4 4 B8R0.22 CCC[C@@H](CCO)SC CNP0238313.1 [0,0,0,0,0,0|0,0,0]=0 5 B8R0.22 CCN(CCO)CCCl CNP0082053.0 [0,0,0,0,0,0|3,0,0]=3 6 B8R0.22 CCN(CCO)CCO CNP0368162.0 [0,0,0,0,0,0|3,0,0]=3 7 B8R0.22 CCOC(CC)OCC CNP0017880.0 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.22 COCC(COC)OC CNP0127784.0 [0,0,0,0,0,0|3,1,0]=4 9 B8R0.22 O=NN(CCO)CCO CNP0568546.0 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.7 CC=CC(C)CCC CNP0084706.0 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,0,0,0,0,0|1,1,1]=4 14 B7R0.7 CCCC(C)CC=O CNP0405888.0 [1,0,0,0,0,0|0,0,2]=3 15 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,0,0,0,0,0|1,0,0]=2 16 B7R0.7 CCCC(O)CCC CNP0407378.0 [1,0,0,0,0,0|1,1,0]=3 17 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [1,0,0,0,0,0|0,0,0]=1 18 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [1,0,0,0,0,0|2,0,0]=3 19 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [1,0,0,0,0,0|0,0,0]=1 20 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [1,0,0,0,0,0|0,0,0]=1 21 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,0,0,0,0,0|2,0,0]=3 22 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [1,0,0,0,0,0|0,0,0]=1 23 B7R0.7 CCOC(C)OCC CNP0177172.0 [1,0,0,0,0,0|3,0,0]=4 24 B7R0.7 CCSC(C)SCC CNP0610536.0 [1,0,0,0,0,0|3,0,0]=4 25 B7R0.7 CN(CCCl)CCCl CNP0187159.0 [1,0,0,0,0,0|3,0,0]=4 26 B7R0.7 OCCC(O)CCO CNP0198973.0 [1,0,0,0,0,0|1,1,0]=3 27 B7R0.7 [O-][S+](CCO)CCO CNP0606218.0 [1,0,0,0,0,0|2,1,0]=4 28 B7R0.12 C=CCC(CC)CC CNP0564971.0 [1,0,0,0,0,0|1,0,2]=4 29 B7R0.12 CCC(SC)SSC CNP0321814.0 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.12 CCC=C(CC)CC CNP0530661.0 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.12 CCCC(CC)CC CNP0154770.0 [1,0,0,0,0,0|1,0,0]=2 32 B7R0.12 CCCN(CC)CC CNP0172466.0 [1,0,0,0,0,0|2,0,0]=3 33 B7R0.12 CCN(CC)CCCl CNP0239247.0 [1,0,0,0,0,0|3,0,0]=4 34 B7R0.12 CCN(CC)CCO CNP0354017.0 [1,0,0,0,0,0|2,0,0]=3 35 B7R0.12 CCSC(CC)CC CNP0199582.0 [1,0,0,0,0,0|2,0,0]=3 36 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [1,0,0,0,0,0|1,1,0]=3 37 B9R0.14 CCCC(CO)CC(C)C CNP0076276.0 [0,1,0,0,0,0|3,0,0]=4 38 B9R0.14 COC[C@@H](CO)C[C@@H](C)O CNP0490960.1 [0,1,0,0,0,0|3,0,0]=4 39 B9R0.15 CCCC(CCC)C(=O)N CNP0104978.0 [0,1,0,0,0,0|3,0,0]=4 40 B9R0.15 CCCC(CCC)C(=O)O CNP0384704.0 [0,1,0,0,0,0|3,0,0]=4 41 B9R0.15 CCCC(CCC)C(=O)[O-] CNP0581160.0 [0,1,0,0,0,0|3,0,0]=4 42 B9R0.15 CCCC(CCC)C(=O)[O-] CNP0588550.0 [0,1,0,0,0,0|3,0,0]=4 43 B9R0.17 CCCN(CCC)CCC CNP0374055.0 [0,1,0,0,0,0|3,0,0]=4 44 B9R0.17 CCOC(CCN)OCC CNP0294720.0 [0,1,0,0,0,0|2,1,0]=4 45 B9R0.17 CCOC(CCO)OCC CNP0076688.0 [0,1,0,0,0,0|1,1,0]=3 46 B9R0.17 OCCN(CCO)CCO CNP0192497.0 [0,1,0,0,0,0|3,0,0]=4 47 B9R0.40 CCCCC(CC)CCC CNP0569100.0 [0,1,0,0,0,0|2,0,0]=3 48 B9R0.40 CCCC[C@H](/C=N/O)CC CNP0161686.1 [0,1,0,0,0,0|2,0,1]=4 49 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [0,0,0,1,0,0|2,0,0]=3 50 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [0,0,0,1,0,0|2,1,0]=4 51 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [0,0,0,1,0,0|2,1,0]=4 52 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [0,0,0,1,0,0|2,1,0]=4 53 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [0,0,0,1,0,0|2,1,0]=4 54 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [0,0,0,1,0,0|2,0,0]=3 55 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,0,0,1,0,0|2,0,1]=4 58 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [0,0,0,1,0,0|2,0,0]=3 59 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [0,0,0,1,0,0|3,0,0]=4 60 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [0,0,0,1,0,0|2,0,0]=3 61 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.8 NCCC1CCCCN1 CNP0503669.0 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.8 NCCN1CCOCC1 CNP0466280.0 [0,0,0,1,0,0|3,0,0]=4 65 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [0,0,0,1,0,0|1,0,1]=3 66 B9R1.8 OCCN1CCCCC1 CNP0303387.0 [0,0,0,1,0,0|2,0,0]=3 67 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [0,0,0,1,0,0|1,0,0]=2 68 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [0,0,0,1,0,0|1,0,0]=2 69 B9R1.14 CC[C@@H]1CCC=C1CO CNP0229914.1 [0,0,0,1,0,0|1,0,2]=4 70 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [0,0,0,1,0,0|1,0,2]=4 71 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [0,0,0,1,0,0|1,0,2]=4 72 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [2,0,0,0,0,0|1,0,1]=4 75 B6R0.1 CCC(Br)CCBr CNP0612222.0 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.1 CCC(C)C=NO CNP0605626.0 [2,0,0,0,0,0|1,0,1]=4 77 B6R0.1 CCC(C)CC=O CNP0531748.0 [2,0,0,0,0,0|0,0,2]=4 78 B6R0.1 CCC=C(C)CO CNP0511576.0 [2,0,0,0,0,0|0,0,2]=4 79 B6R0.1 CCCC(=NO)C CNP0211014.0 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|0,1,1]=4 81 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|0,1,1]=4 82 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|0,0,2]=4 83 B6R0.1 CCCC(C)C#N CNP0583202.0 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [2,0,0,0,0,0|0,0,2]=4 85 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [2,0,0,0,0,0|0,0,0]=2 86 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [2,0,0,0,0,0|0,0,0]=2 87 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [2,0,0,0,0,0|0,0,0]=2 88 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [2,0,0,0,0,0|0,1,0]=3 89 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [2,0,0,0,0,0|0,0,0]=2 90 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [2,0,0,0,0,0|0,0,0]=2 91 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [2,0,0,0,0,0|1,0,0]=3 92 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [2,0,0,0,0,0|0,1,0]=3 93 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [2,0,0,0,0,0|1,0,1]=4 94 B6R0.1 CCOC(C)CC CNP0086282.0 [2,0,0,0,0,0|1,0,0]=3 95 B6R0.1 CCOC(C)OC CNP0612171.0 [2,0,0,0,0,0|1,1,0]=4 96 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [2,0,0,0,0,0|2,0,0]=4 97 B6R0.1 CCSC(C)SC CNP0611888.0 [2,0,0,0,0,0|1,0,0]=3 98 B6R0.1 CCSC(S)CC CNP0488688.0 [2,0,0,0,0,0|1,0,0]=3 99 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [2,0,0,0,0,0|0,0,0]=2 100 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [2,0,0,0,0,0|2,0,0]=4 101 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [2,0,0,0,0,0|0,0,0]=2 102 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [2,0,0,0,0,0|1,1,0]=4 103 B6R0.1 COC[C@H](O)CO CNP0105123.2 [2,0,0,0,0,0|1,1,0]=4 104 B6R0.1 CSC(C)CC=O CNP0002406.0 [2,0,0,0,0,0|0,0,2]=4 105 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [2,0,0,0,0,0|1,1,0]=4 106 B6R0.6 C#CCCCCO CNP0289179.0 [2,0,0,0,0,0|0,0,2]=4 107 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|1,0,1]=4 108 B6R0.6 C=CCCCCO CNP0162421.0 [2,0,0,0,0,0|0,0,2]=4 109 B6R0.6 CC#CCCCO CNP0320046.0 [2,0,0,0,0,0|0,0,2]=4 110 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|0,0,2]=4 111 B6R0.6 CCC#CCCO CNP0170517.0 [2,0,0,0,0,0|0,0,2]=4 112 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|0,0,2]=4 113 B6R0.6 CCCC#CCO CNP0314465.0 [2,0,0,0,0,0|0,0,2]=4 114 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|0,0,2]=4 115 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|0,0,2]=4 116 B6R0.6 CCCCC=NO CNP0149695.0 [2,0,0,0,0,0|1,0,1]=4 117 B6R0.6 CCCCCC#N CNP0412353.0 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,0,2]=4 119 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|1,0,0]=3 120 B6R0.6 CCCCCCN CNP0213933.0 [2,0,0,0,0,0|1,0,0]=3 121 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|0,0,0]=2 122 B6R0.6 CCCCCCS CNP0167948.0 [2,0,0,0,0,0|0,1,0]=3 123 B6R0.6 CCCCCC[O-] CNP0579903.0 [2,0,0,0,0,0|0,0,1]=3 124 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|2,0,0]=4 126 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|2,0,0]=4 127 B6R0.6 CCCCCSS CNP0228282.0 [2,0,0,0,0,0|1,1,0]=4 128 B6R0.6 CCCNCCC CNP0129820.0 [2,0,0,0,0,0|2,0,0]=4 129 B6R0.6 CCCOCCO CNP0079853.0 [2,0,0,0,0,0|1,0,0]=3 130 B6R0.6 CCCSCCC CNP0173387.0 [2,0,0,0,0,0|2,0,0]=4 131 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|1,0,0]=3 132 B6R0.6 CCOCCCS CNP0267296.0 [2,0,0,0,0,0|1,1,0]=4 133 B6R0.6 CCSCCCO CNP0355297.0 [2,0,0,0,0,0|1,0,0]=3 134 B6R0.6 CNCCCCN CNP0157274.0 [2,0,0,0,0,0|2,0,0]=4 135 B6R0.6 COCCCCO CNP0570905.0 [2,0,0,0,0,0|1,0,0]=3 136 B6R0.6 CSCCCCO CNP0002400.0 [2,0,0,0,0,0|1,0,0]=3 137 B6R0.6 NCCCCCN CNP0184259.0 [2,0,0,0,0,0|2,0,0]=4 138 B6R0.6 NCCCCCO CNP0032450.0 [2,0,0,0,0,0|1,0,0]=3 139 B6R0.6 OCCCCCO CNP0201249.0 [2,0,0,0,0,0|1,0,0]=3 140 B6R0.6 OCCNCCO CNP0247543.0 [2,0,0,0,0,0|2,0,0]=4 141 B6R0.6 OCCOCCO CNP0333860.0 [2,0,0,0,0,0|2,0,0]=4 142 B6R0.6 OCCSCCO CNP0335773.0 [2,0,0,0,0,0|2,0,0]=4 143 B6R0.9 CC=C(CC)CC CNP0246886.0 [2,0,0,0,0,0|1,0,1]=4 144 B6R0.9 CC=C(CC)CO CNP0059417.0 [2,0,0,0,0,0|1,0,1]=4 145 B6R0.9 CCC(C#N)CC CNP0152089.0 [2,0,0,0,0,0|2,0,0]=4 146 B6R0.9 CCC(C=O)CC CNP0353251.0 [2,0,0,0,0,0|2,0,0]=4 147 B6R0.9 CCC(CC)CC CNP0205695.0 [2,0,0,0,0,0|1,0,0]=3 148 B6R0.9 CCC(CC)SC CNP0410895.0 [2,0,0,0,0,0|0,0,0]=2 149 B6R0.9 CCC(OC)OC CNP0171881.0 [2,0,0,0,0,0|1,1,0]=4 150 B6R0.9 CCN(CC)CC CNP0209343.0 [2,0,0,0,0,0|2,0,0]=4 151 B6R0.9 CCP(CC)CC CNP0368013.0 [2,0,0,0,0,0|2,0,0]=4 152 B6R0.9 COC(CO)CO CNP0242404.0 [2,0,0,0,0,0|1,1,0]=4 153 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [1,1,0,0,0,0|1,1,0]=4 154 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [1,1,0,0,0,0|1,1,0]=4 155 B8R0.1 CCCC(S)CCOC CNP0309037.0 [1,1,0,0,0,0|0,0,0]=2 156 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,1,0,0,0,0|1,0,0]=3 157 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [1,1,0,0,0,0|1,1,0]=4 158 B8R0.1 CCCOC(C)OCC CNP0154058.0 [1,1,0,0,0,0|2,0,0]=4 159 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [1,1,0,0,0,0|0,0,0]=2 160 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [1,1,0,0,0,0|1,0,0]=3 162 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [1,1,0,0,0,0|1,0,0]=3 163 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|1,0,1]=4 164 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [1,1,0,0,0,0|1,0,0]=3 165 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [1,1,0,0,0,0|1,0,0]=3 166 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [1,1,0,0,0,0|1,0,0]=3 167 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [1,1,0,0,0,0|1,0,0]=3 168 B8R0.3 OCC[C@H](O)[C@H](O)CO CNP0216984.1 [1,1,0,0,0,0|1,1,0]=4 169 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,1,0,0,0,0|1,0,1]=4 170 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|0,0,2]=4 171 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [1,1,0,0,0,0|1,0,0]=3 172 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [1,1,0,0,0,0|0,0,0]=2 173 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,1,0,0,0,0|0,1,1]=4 174 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,1,0,0,0,0|0,0,1]=3 175 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,1,0,0,0,0|0,1,1]=4 176 B8R0.30 CCCP(=S)(C)CCC CNP0210632.0 [1,1,0,0,0,0|2,0,0]=4 177 B8R0.30 C[C@@](O)(CC#N)CCO CNP0018267.1 [1,1,0,0,0,0|1,0,1]=4 178 B8R0.11 CCC(CO)CCNC CNP0141963.0 [1,1,0,0,0,0|1,0,0]=3 179 B8R0.11 CCCCC(C#N)CC CNP0320683.0 [1,1,0,0,0,0|2,0,0]=4 180 B8R0.11 CCCCC(CC)CS CNP0002408.0 [1,1,0,0,0,0|1,1,0]=4 181 B8R0.11 CCCCC(OC)OC CNP0417281.0 [1,1,0,0,0,0|1,1,0]=4 182 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [1,1,0,0,0,0|2,0,0]=4 183 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [1,1,0,0,0,0|1,0,0]=3 184 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [1,1,0,0,0,0|2,0,0]=4 185 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [1,1,0,0,0,0|1,0,0]=3 186 B8R0.11 CCN(CC)CCCO CNP0600087.0 [1,1,0,0,0,0|2,0,0]=4 187 B8R0.11 CCSSC(CC)SC CNP0002633.0 [1,1,0,0,0,0|1,0,0]=3 188 B8R0.15 CCCC(CC)C(C)C CNP0495520.0 [1,1,0,0,0,0|1,0,0]=3 189 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [1,1,0,0,0,0|1,0,1]=4 190 B8R0.15 CC[C@@H](CCO)C(C)C CNP0310807.1 [1,1,0,0,0,0|1,0,0]=3 191 B8R0.15 CC[C@H](CCO)C(C)C CNP0310807.2 [1,1,0,0,0,0|1,0,0]=3 192 B8R0.16 CCC(CC)CC(=O)O CNP0188484.0 [1,1,0,0,0,0|1,0,1]=4 193 B8R0.16 CCC(CC)CC(C)C CNP0577588.0 [1,1,0,0,0,0|1,0,0]=3 194 B8R0.16 CCC(CO)CC(C)C CNP0084487.0 [1,1,0,0,0,0|1,0,0]=3 195 B8R0.16 COC(CC(C)C)OC CNP0256947.0 [1,1,0,0,0,0|1,1,0]=4 196 B8R0.20 CCC(CC)[C@@H](C)CC CNP0193846.1 [1,1,0,0,0,0|1,0,0]=3 197 B8R0.20 CCC(SC)C(=O)OC CNP0407367.0 [1,1,0,0,0,0|1,0,1]=4 198 B8R0.31 CCCC(C)(CC)CC CNP0251441.0 [1,1,0,0,0,0|1,0,0]=3 199 B8R0.31 CCCC(C)(CC)OC CNP0082474.0 [1,1,0,0,0,0|0,1,0]=3 200 B10R0.23 CCCC(CC(C)O)C(=O)O CNP0580623.0 [0,2,0,0,0,0|2,0,0]=4 201 B10R0.107 NC(CCO)(CCO)CCO CNP0542547.0 [0,2,0,0,0,0|2,0,0]=4 202 B10R0.27 CCCC(CC)CCC(C)C CNP0482853.0 [0,2,0,0,0,0|2,0,0]=4 203 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [1,0,0,1,0,0|0,0,2]=4 204 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [1,0,0,1,0,0|0,0,2]=4 205 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|1,0,1]=4 206 B8R1.4 CN1CCOC(C1)O CNP0001228.0 [1,0,0,1,0,0|2,0,0]=4 207 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|0,0,2]=4 208 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [1,0,0,1,0,0|1,0,0]=3 209 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [1,0,0,1,0,0|0,0,0]=2 210 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [1,0,0,1,0,0|2,0,0]=4 211 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [1,0,0,1,0,0|1,0,0]=3 212 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [1,0,0,1,0,0|0,0,0]=2 213 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [1,0,0,1,0,0|2,0,0]=4 214 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|0,0,2]=4 215 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [1,0,0,1,0,0|0,0,0]=2 216 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [1,0,0,1,0,0|0,0,0]=2 217 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [1,0,0,1,0,0|1,0,0]=3 218 B8R1.8 CCCC1CCCC1 CNP0271421.0 [1,0,0,1,0,0|1,0,0]=3 219 B8R1.8 CCCC1CCSS1 CNP0313862.0 [1,0,0,1,0,0|0,1,0]=3 220 B8R1.8 CCCC1NCCS1 CNP0002551.0 [1,0,0,1,0,0|2,0,0]=4 221 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [1,0,0,1,0,0|1,0,0]=3 222 B8R1.11 OC[C@H]1NCC[C@@H]1O CNP0110769.1 [1,0,0,1,0,0|1,1,0]=4 223 B8R1.18 CC1C[C@H]([C@@H](C1)C)C CNP0321029.2 [1,0,0,1,0,0|1,0,0]=3 224 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C CNP0321029.1 [1,0,0,1,0,0|1,0,0]=3 225 B8R1.22 CC1CCCCCC1 CNP0214318.0 [1,0,0,1,0,0|1,0,0]=3 226 B8R1.37 CCCC(C)C1CO1 CNP0076696.0 [1,0,0,1,0,0|0,0,0]=2 227 B8R1.1 CC1CCC(O1)CO CNP0511633.0 [1,0,0,1,0,0|2,0,0]=4 228 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [1,0,0,1,0,0|2,0,0]=4 229 B8R1.1 CCC1SCC(S1)C CNP0611981.0 [1,0,0,1,0,0|1,0,0]=3 230 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [1,0,0,1,0,0|1,0,0]=3 231 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [1,0,0,1,0,0|1,0,0]=3 232 B8R1.1 CC[C@@H]1SS[C@@H](S1)C CNP0113400.1 [1,0,0,1,0,0|2,0,0]=4 233 B8R1.1 OC[C@H]1CC[C@@H](C1)O CNP0523551.1 [1,0,0,1,0,0|2,0,0]=4 234 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|1,0,1]=4 235 B8R1.2 CCC1CCCCC1 CNP0300322.0 [1,0,0,1,0,0|1,0,0]=3 236 B8R1.2 CCN1CCOCC1 CNP0382188.0 [1,0,0,1,0,0|2,0,0]=4 237 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [1,0,0,1,0,0|0,1,0]=3 238 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,0,0,1,0,0|1,0,1]=4 239 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [1,0,0,1,0,0|0,1,0]=3 240 B8R1.2 CNC1CCCCC1 CNP0474937.0 [1,0,0,1,0,0|1,0,0]=3 241 B8R1.2 NCC1CCCCC1 CNP0581484.0 [1,0,0,1,0,0|2,0,0]=4 242 B8R1.2 NCC1CCOCC1 CNP0398955.0 [1,0,0,1,0,0|2,0,0]=4 243 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [1,0,0,1,0,0|2,0,0]=4 244 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [1,0,0,1,0,0|1,0,1]=4 245 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [1,0,0,1,0,0|1,0,1]=4 246 B8R1.2 OCC1CCCCN1 CNP0335046.0 [1,0,0,1,0,0|1,0,0]=3 247 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [1,0,0,1,0,0|2,0,0]=4 248 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [1,0,0,1,0,0|0,1,0]=3 249 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [1,0,0,1,0,0|2,0,0]=4 250 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [1,0,0,1,0,0|1,0,1]=4 251 B10R1.4 CCCC1CCCCC1C CNP0605780.0 [0,1,0,1,0,0|2,0,0]=4 252 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [0,1,0,1,0,0|2,0,0]=4 253 B10R1.4 CCC[C@@H]1CCCCN1C CNP0256186.1 [0,1,0,1,0,0|2,0,0]=4 254 B10R1.4 CCC[C@H]1CCCCN1C CNP0256186.2 [0,1,0,1,0,0|2,0,0]=4 255 B10R1.4 C[C@@H]1COCC[C@@H]1CCO CNP0154189.2 [0,1,0,1,0,0|1,0,0]=3 256 B10R1.4 C[C@@H]1COCC[C@H]1CCO CNP0154189.4 [0,1,0,1,0,0|1,0,0]=3 257 B10R1.4 C[C@H]1COCC[C@@H]1CCO CNP0154189.1 [0,1,0,1,0,0|1,0,0]=3 258 B10R1.4 C[C@H]1COCC[C@H]1CCO CNP0154189.3 [0,1,0,1,0,0|1,0,0]=3 259 B10R1.15 CC[C@@H](O)[C@@H]1CCCCN1 CNP0379746.1 [0,1,0,1,0,0|2,0,0]=4 260 B10R1.8 CC[C@@H]1C[C@@H](C[C@@H](C1)C)C CNP0177504.1 [0,1,0,1,0,0|2,0,0]=4 261 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [0,1,0,1,0,0|2,0,0]=4 262 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.10 CCC[C@@H]1CCO[C@@H](S1)C CNP0106834.1 [0,1,0,1,0,0|0,0,0]=2 264 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [0,1,0,1,0,0|2,0,0]=4 265 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [0,1,0,1,0,0|2,0,0]=4 266 B10R1.10 CCC[C@H]1CCO[C@H](S1)C CNP0106834.2 [0,1,0,1,0,0|0,0,0]=2 267 B10R1.10 OCCC1OCCC(O1)O CNP0338052.0 [0,1,0,1,0,0|1,1,0]=4 268 B10R1.18 CC(C)CC1CCCCC1 CNP0508162.0 [0,1,0,1,0,0|2,0,0]=4 269 B10R1.18 C[C@@H](O)C[C@H]1CCCCN1 CNP0333410.2 [0,1,0,1,0,0|1,0,0]=3 270 B10R1.18 C[C@H](O)C[C@@H]1CCCCN1 CNP0333410.3 [0,1,0,1,0,0|1,0,0]=3 271 B10R1.18 C[C@H](O)C[C@H]1CCCCN1 CNP0333410.1 [0,1,0,1,0,0|1,0,0]=3 272 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [0,1,0,1,0,0|1,0,1]=4 273 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [0,1,0,1,0,0|1,0,1]=4 274 B10R1.39 CC(=O)[C@H]1COC[C@@H]1CO CNP0311924.1 [0,1,0,1,0,0|2,0,0]=4 275 B10R1.54 C[C@@H]1CC[C@@H](C1)CC(=O)O CNP0206632.1 [0,1,0,1,0,0|1,0,1]=4 276 B10R1.64 CN1CCC[C@H]1CC(=O)O CNP0174997.1 [0,1,0,1,0,0|1,0,1]=4 277 B10R1.64 C[C@@H](O)C[C@@H]1CCCN1C CNP0115494.4 [0,1,0,1,0,0|1,0,0]=3 278 B10R1.64 C[C@@H](O)C[C@H]1CCCN1C CNP0115494.1 [0,1,0,1,0,0|1,0,0]=3 279 B10R1.64 C[C@H](O)C[C@@H]1CCCN1C CNP0115494.3 [0,1,0,1,0,0|1,0,0]=3 280 B10R1.64 C[C@H](O)C[C@H]1CCCN1C CNP0115494.2 [0,1,0,1,0,0|1,0,0]=3 281 B10R1.113 CC(C)[C@@H]1CCC[C@@H](C1)C CNP0112809.1 [0,1,0,1,0,0|2,0,0]=4 282 B10R1.113 C[C@@H]1C[C@@H](CCO1)C(=O)O CNP0370944.3 [0,1,0,1,0,0|2,0,0]=4 283 B10R1.113 C[C@@H]1C[C@H](CCO1)C(=O)O CNP0370944.4 [0,1,0,1,0,0|2,0,0]=4 284 B10R1.113 C[C@H]1C[C@@H](CCO1)C(=O)O CNP0370944.2 [0,1,0,1,0,0|2,0,0]=4 285 B10R1.113 C[C@H]1C[C@H](CCO1)C(=O)O CNP0370944.1 [0,1,0,1,0,0|2,0,0]=4 286 B10R1.131 C/C=C/C1C[C@@H]([C@H](C1)O)O CNP0195805.1 [0,1,0,1,0,0|2,0,0]=4 287 B10R1.131 C/C=C/[C@H]1C[C@H]([C@H](C1)O)O CNP0195805.2 [0,1,0,1,0,0|2,0,0]=4 288 B10R1.1 CCC[C@@H]1CC[C@@H](CN1)O CNP0303716.2 [0,1,0,1,0,0|1,0,0]=3 289 B10R1.1 CCC[C@H]1CC[C@@H](CC1)O CNP0314418.1 [0,1,0,1,0,0|1,0,0]=3 290 B10R1.1 CCC[C@H]1CC[C@@H](CN1)O CNP0303716.1 [0,1,0,1,0,0|1,0,0]=3 291 B10R1.17 CCCCC1CCCCC1 CNP0108784.0 [0,1,0,1,0,0|2,0,0]=4 292 B10R1.17 O=CCCC1CCCCC1 CNP0417148.0 [0,1,0,1,0,0|1,0,1]=4 293 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|2,0,0]=4 294 B10R1.35 COC1CC(C(O1)CO)O CNP0552573.0 [0,1,0,1,0,0|1,1,0]=4 295 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,1,0,1,0,0|1,0,1]=4 296 B10R1.485 CC[C@@]1(CCC[C@@H](C1)C)O CNP0046159.2 [0,1,0,1,0,0|2,0,0]=4 297 B10R1.485 CC[C@@]1(CCC[C@H](C1)C)O CNP0046159.3 [0,1,0,1,0,0|2,0,0]=4 298 B10R1.485 CC[C@]1(CCC[C@@H](C1)C)O CNP0046159.4 [0,1,0,1,0,0|2,0,0]=4 299 B10R1.485 CC[C@]1(CCC[C@H](C1)C)O CNP0046159.1 [0,1,0,1,0,0|2,0,0]=4 300 B10R2.62 CC1CC2CCC1CC2 CNP0127500.0 [0,0,0,2,0,0|2,0,0]=4 301 B10R2.62 O[C@@H]1C[C@H]2C=C[C@@H]1CC2 CNP0395567.1 [0,0,0,2,0,0|1,0,1]=4 302 B10R2.71 OC1C[C@H]2CC[C@@H](C1)N2 CNP0341524.3 [0,0,0,2,0,0|2,0,0]=4 303 B10R2.71 O[C@@H]1C[C@H]2CC[C@@H](C1)N2 CNP0341524.2 [0,0,0,2,0,0|2,0,0]=4 304 B10R2.71 O[C@H]1C[C@H]2CC[C@@H](C1)N2 CNP0341524.1 [0,0,0,2,0,0|2,0,0]=4 305 B10R2.109 C=CC1CCC2OC2C1 CNP0491620.0 [0,0,0,2,0,0|1,0,1]=4 306 B10R2.408 C1C[C@H]2CCC[C@@H](C1)S2 CNP0191690.1 [0,0,0,2,0,0|1,0,0]=3 307 B10R2.110 C1CCC2CCC2CC1 CNP0542798.0 [0,0,0,2,0,0|2,0,0]=4 308 B10R2.32 C[C@@H]1CS[C@H]2[C@H]1CCC2 CNP0357997.1 [0,0,0,2,0,0|1,0,0]=3 309 B10R2.7 C1CC[C@H]2CCC[C@H]2C1 CNP0076465.1 [0,0,0,2,0,0|2,0,0]=4 310 B10R2.41 CN1[C@@H]2CCC[C@H]1CC2 CNP0085489.1 [0,0,0,2,0,0|2,0,0]=4