0 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,0,0,0,0,0|0,0,2]=2 1 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,0,0,0,0,0|0,0,0]=0 2 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,0,0,0,0,0|3,0,1]=4 3 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,0,0,0,0,0|0,0,4]=4 4 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,0,0,0,0,0|1,0,3]=4 5 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,0,0,0,0,0|2,0,2]=4 6 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,0,0,0,0,0|1,0,3]=4 7 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,0,0,0,0,0|2,0,1]=3 8 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [0,0,0,0,0,0|1,0,2]=3 9 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [0,0,0,0,0,0|1,0,2]=3 10 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [0,0,0,0,0,0|0,0,2]=2 11 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [0,0,0,0,0,0|1,0,2]=3 12 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [0,0,0,0,0,0|0,0,2]=2 13 B10R0.74 NCCCCNCC(O)CN CNP0547539.0 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [1,0,0,0,0,0|0,0,3]=4 15 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [1,0,0,0,0,0|1,0,2]=4 16 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [1,0,0,0,0,0|1,0,2]=4 17 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [1,0,0,0,0,0|1,0,1]=3 18 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [1,0,0,0,0,0|1,0,2]=4 19 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [1,0,0,0,0,0|1,0,2]=4 20 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [1,0,0,0,0,0|1,0,2]=4 21 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [1,0,0,0,0,0|1,0,2]=4 22 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [1,0,0,0,0,0|1,0,2]=4 23 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [1,0,0,0,0,0|1,0,2]=4 24 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [1,0,0,0,0,0|1,0,1]=3 25 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [1,0,0,0,0,0|0,0,1]=2 26 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [1,0,0,0,0,0|0,0,1]=2 27 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [1,0,0,0,0,0|2,0,0]=3 28 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [1,0,0,0,0,0|2,0,1]=4 29 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [1,0,0,0,0,0|2,0,1]=4 30 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [1,0,0,0,0,0|2,0,1]=4 31 B9R0.45 C#CCCCCCCCC CNP0272182.0 [1,0,0,0,0,0|0,0,2]=3 32 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [1,0,0,0,0,0|0,0,2]=3 33 B9R0.45 C=CCCCCCCC=C CNP0335598.0 [1,0,0,0,0,0|0,0,2]=3 34 B9R0.45 C=CCCCCCCCC CNP0330037.0 [1,0,0,0,0,0|0,0,0]=1 35 B9R0.45 C=CCCCCCCCO CNP0326407.0 [1,0,0,0,0,0|1,0,0]=2 36 B9R0.45 C=CCCCCCN=C=S CNP0053316.0 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.45 CC#CCCCCCCC CNP0076890.0 [1,0,0,0,0,0|0,0,3]=4 38 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [1,0,0,0,0,0|1,0,2]=4 39 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [1,0,0,0,0,0|1,0,2]=4 40 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [1,0,0,0,0,0|1,0,2]=4 41 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [1,0,0,0,0,0|1,0,2]=4 42 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [1,0,0,0,0,0|1,0,2]=4 43 B9R0.45 CCCCCCCC=CO CNP0085832.0 [1,0,0,0,0,0|1,0,1]=3 44 B9R0.45 CCCCCCCC=NO CNP0247046.0 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.45 CCCCCCCCC#N CNP0309769.0 [1,0,0,0,0,0|1,0,1]=3 46 B9R0.45 CCCCCCCCC=O CNP0328165.0 [1,0,0,0,0,0|1,0,0]=2 47 B9R0.45 CCCCCCCCCC CNP0279708.0 [1,0,0,0,0,0|0,0,2]=3 48 B9R0.45 CCCCCCCCCI CNP0565198.0 [1,0,0,0,0,0|1,0,1]=3 49 B9R0.45 CCCCCCCCCO CNP0307663.0 [1,0,0,0,0,0|1,0,1]=3 50 B9R0.45 CCCCCCCCOC CNP0305574.0 [1,0,0,0,0,0|1,0,1]=3 51 B9R0.45 CCCCCCCNC=O CNP0503918.0 [1,0,0,0,0,0|2,0,0]=3 52 B9R0.45 CCCCCCCOC=O CNP0272781.0 [1,0,0,0,0,0|2,0,0]=3 53 B9R0.45 CCCCCCCOCC CNP0144632.0 [1,0,0,0,0,0|1,0,2]=4 54 B9R0.45 CCCCCCOCCC CNP0488672.0 [1,0,0,0,0,0|1,0,2]=4 55 B9R0.45 CCCCCOCCCC CNP0134382.0 [1,0,0,0,0,0|1,0,2]=4 56 B9R0.45 CCCCOCCCCO CNP0571704.0 [1,0,0,0,0,0|2,0,1]=4 57 B9R0.45 CSCCCCCCC#N CNP0328653.0 [1,0,0,0,0,0|2,0,1]=4 58 B9R0.45 NCCCCCCCCN CNP0462737.0 [1,0,0,0,0,0|2,0,1]=4 59 B9R0.45 NCCCNCCCC=O CNP0100864.0 [1,0,0,0,0,0|3,0,0]=4 60 B9R0.45 OCCCCCCCCO CNP0076363.0 [1,0,0,0,0,0|2,0,1]=4 61 B9R0.45 SCCCCCCCCS CNP0058300.0 [1,0,0,0,0,0|2,0,1]=4 62 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [1,0,0,0,0,0|0,0,2]=3 63 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [1,0,0,0,0,0|0,0,0]=1 64 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [1,0,0,0,0,0|1,0,0]=2 65 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [1,0,0,0,0,0|0,0,0]=1 66 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [1,0,0,0,0,0|1,0,0]=2 67 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [1,0,0,0,0,0|2,0,0]=3 68 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [1,0,0,0,0,0|2,0,1]=4 69 B9R0.46 CCCCCCC(C)NN CNP0592321.0 [1,0,0,0,0,0|3,0,0]=4 70 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [1,0,0,0,0,0|1,0,2]=4 71 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [1,0,0,0,0,0|0,0,2]=3 72 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [1,0,0,0,0,0|1,0,1]=3 73 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [1,0,0,0,0,0|2,0,1]=4 74 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [1,0,0,0,0,0|0,0,2]=3 75 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [0,1,0,0,0,0|1,0,2]=4 76 B11R0.4 CC=CC(O)CCCCCCC CNP0485285.0 [0,1,0,0,0,0|0,0,0]=1 77 B11R0.4 CCCCCCCC(C)CCC CNP0333661.0 [0,1,0,0,0,0|1,0,2]=4 78 B11R0.4 CCCCCCC[C@@H](O)CCC CNP0081402.1 [0,1,0,0,0,0|0,0,2]=3 79 B11R0.40 C#CC(O)C=CCCCCCC CNP0540636.0 [0,1,0,0,0,0|0,0,3]=4 80 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [0,1,0,0,0,0|0,0,2]=3 81 B11R0.40 C=C[C@@H](O)C/C=C/CCCCC CNP0262643.1 [0,1,0,0,0,0|0,0,1]=2 82 B11R0.40 C=C[C@@H](O)C/C=C\CCCCC CNP0262643.2 [0,1,0,0,0,0|0,0,1]=2 83 B11R0.40 C=C[C@@H](O)CCCCCCCC CNP0175244.1 [0,1,0,0,0,0|0,0,0]=1 84 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [0,1,0,0,0,0|0,0,2]=3 85 B11R0.40 CCCCCCCCC(O)CO CNP0094301.0 [0,1,0,0,0,0|1,0,1]=3 86 B11R0.40 CCCCCCCC[C@H](C)CC CNP0096496.1 [0,1,0,0,0,0|1,0,2]=4 87 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [0,1,0,0,0,0|1,0,1]=3 88 B11R0.42 CCCCCCCC(C)C(C)C CNP0351892.0 [0,1,0,0,0,0|1,0,2]=4 89 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [0,1,0,0,0,0|1,0,0]=2 90 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [0,1,0,0,0,0|2,0,0]=3 91 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [0,1,0,0,0,0|2,0,0]=3 92 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [0,1,0,0,0,0|2,0,0]=3 93 B11R0.42 CSCCCCCC(N)C(=O)O CNP0045927.0 [0,1,0,0,0,0|3,0,0]=4 94 B11R0.42 NCCCCCC[C@H](N)C(=O)O CNP0522116.1 [0,1,0,0,0,0|3,0,0]=4 95 B11R0.49 CCCCCCCC(C)(C)CO CNP0350508.0 [0,1,0,0,0,0|2,0,1]=4 96 B11R0.70 CCCCC(C)CCC(C)CC CNP0547533.0 [0,1,0,0,0,0|1,0,2]=4 97 B11R0.106 CCC(C)CCCCC(C)CC CNP0584422.0 [0,1,0,0,0,0|1,0,2]=4 98 B11R0.106 OC[C@@H](O)CCCC[C@H](O)CO CNP0379783.1 [0,1,0,0,0,0|2,0,1]=4 99 B11R0.111 CC[C@@H](C)CCCCC[C@@H](C)O CNP0340083.1 [0,1,0,0,0,0|1,0,2]=4 100 B11R0.111 CC[C@@H](C)CCCCC[C@H](C)O CNP0340083.2 [0,1,0,0,0,0|1,0,2]=4 101 B11R0.111 CC[C@H](C)CCCCC[C@H](C)O CNP0340083.3 [0,1,0,0,0,0|1,0,2]=4 102 B11R0.124 CCCCCCCC(OC)OC CNP0398698.0 [0,1,0,0,0,0|1,0,1]=3 103 B11R0.154 CCCCCC(O)CC(O)CC CNP0502032.0 [0,1,0,0,0,0|0,0,2]=3 104 B11R0.174 CCCC(C)CCCC(C)CC CNP0076780.0 [0,1,0,0,0,0|1,0,2]=4 105 B11R0.174 CCCC(C)CCCC(C)CO CNP0041473.0 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [0,0,0,1,0,0|1,0,2]=4 107 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [0,0,0,1,0,0|1,0,2]=4 108 B11R1.40 CC[C@@H](O)C[C@@H]1CCCCN1 CNP0267069.1 [0,0,0,1,0,0|1,0,2]=4 109 B11R1.40 CC[C@H](O)C[C@H]1CCCCN1 CNP0267069.2 [0,0,0,1,0,0|1,0,2]=4 110 B11R1.40 CNC(C)CC1CCCCC1 CNP0071281.0 [0,0,0,1,0,0|2,0,1]=4 111 B11R1.40 N[C@H](CO)CC1CCCCC1 CNP0508776.1 [0,0,0,1,0,0|2,0,1]=4 112 B11R1.46 CCCCCCCC1CC1C CNP0575710.0 [0,0,0,1,0,0|1,0,2]=4 113 B11R1.85 O=C1CCCCCCCC1=O CNP0559749.0 [0,0,0,1,0,0|1,0,2]=4 114 B11R1.101 CC1CCCCCCCCC1 CNP0242949.0 [0,0,0,1,0,0|1,0,2]=4 115 B11R1.101 C[C@@H]1CCCCCCCNC1 CNP0435621.1 [0,0,0,1,0,0|2,0,1]=4 116 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [0,0,0,1,0,0|1,0,2]=4 117 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [0,0,0,1,0,0|0,0,2]=3 118 B11R1.101 O[C@H]1CCCCCNCCC1 CNP0451245.1 [0,0,0,1,0,0|1,0,2]=4 119 B11R1.229 C=C[C@@H]1C[C@@H]1/C=C/CCCC CNP0182947.5 [0,0,0,1,0,0|1,0,2]=4 120 B11R1.229 C=C[C@@H]1C[C@H]1/C=C/CCCC CNP0182947.6 [0,0,0,1,0,0|1,0,2]=4 121 B11R1.229 C=C[C@@H]1C[C@H]1/C=C\CCCC CNP0182947.4 [0,0,0,1,0,0|1,0,2]=4 122 B11R1.229 C=C[C@H]1C[C@@H]1/C=C/CCCC CNP0182947.1 [0,0,0,1,0,0|1,0,2]=4 123 B11R1.229 C=C[C@H]1C[C@@H]1/C=C\CCCC CNP0182947.2 [0,0,0,1,0,0|1,0,2]=4 124 B11R1.229 C=C[C@H]1C[C@H]1/C=C\CCCC CNP0182947.3 [0,0,0,1,0,0|1,0,2]=4 125 B8R0.4 C=CC=CCCCCC CNP0389218.0 [2,0,0,0,0,0|0,0,2]=4 126 B8R0.4 C=CCCCCCC=C CNP0320273.0 [2,0,0,0,0,0|0,0,2]=4 127 B8R0.4 C=CCCCCCC=O CNP0184185.0 [2,0,0,0,0,0|1,0,1]=4 128 B8R0.4 C=CCCCCCCC CNP0317850.0 [2,0,0,0,0,0|0,0,0]=2 129 B8R0.4 C=CCCCCCCO CNP0610530.0 [2,0,0,0,0,0|1,0,0]=3 130 B8R0.4 CC=CCCCCCC CNP0241269.0 [2,0,0,0,0,0|0,0,2]=4 131 B8R0.4 CC=CCCCCCO CNP0534658.0 [2,0,0,0,0,0|0,0,2]=4 132 B8R0.4 CCC=CCCCCO CNP0192139.0 [2,0,0,0,0,0|0,0,2]=4 133 B8R0.4 CCCC=CCCCO CNP0085599.0 [2,0,0,0,0,0|0,0,2]=4 134 B8R0.4 CCCCC=CCCO CNP0221419.0 [2,0,0,0,0,0|0,0,2]=4 135 B8R0.4 CCCCCC=CCO CNP0113756.0 [2,0,0,0,0,0|0,0,2]=4 136 B8R0.4 CCCCCCC=CO CNP0605778.0 [2,0,0,0,0,0|0,0,2]=4 137 B8R0.4 CCCCCCC=NO CNP0389770.0 [2,0,0,0,0,0|1,0,1]=4 138 B8R0.4 CCCCCCCC#N CNP0112630.0 [2,0,0,0,0,0|1,0,1]=4 139 B8R0.4 CCCCCCCC=O CNP0146292.0 [2,0,0,0,0,0|1,0,0]=3 140 B8R0.4 CCCCCCCCC CNP0402619.0 [2,0,0,0,0,0|0,0,1]=3 141 B8R0.4 CCCCCCCCN CNP0065900.0 [2,0,0,0,0,0|1,0,0]=3 142 B8R0.4 CCCCCCCCO CNP0368614.0 [2,0,0,0,0,0|0,0,0]=2 143 B8R0.4 CCCCCCCNC CNP0216624.0 [2,0,0,0,0,0|1,0,1]=4 144 B8R0.4 CCCCCCCOO CNP0566054.0 [2,0,0,0,0,0|1,0,0]=3 145 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [2,0,0,0,0,0|1,0,0]=3 146 B8R0.4 CCCCCCOC=O CNP0086211.0 [2,0,0,0,0,0|2,0,0]=4 147 B8R0.4 CCCCCCOCC CNP0609034.0 [2,0,0,0,0,0|1,0,1]=4 148 B8R0.4 CCCCNCCCC CNP0203128.0 [2,0,0,0,0,0|1,0,1]=4 149 B8R0.4 CCCCOCCCC CNP0077266.0 [2,0,0,0,0,0|1,0,1]=4 150 B8R0.4 CCCCOCCCO CNP0141373.0 [2,0,0,0,0,0|1,0,0]=3 151 B8R0.4 CCCCSCCCC CNP0370059.0 [2,0,0,0,0,0|1,0,1]=4 152 B8R0.4 CCOCCOCCO CNP0079970.0 [2,0,0,0,0,0|2,0,0]=4 153 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [2,0,0,0,0,0|0,0,1]=3 154 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [2,0,0,0,0,0|1,0,1]=4 155 B8R0.7 CCCCCCC(C)C CNP0161146.0 [2,0,0,0,0,0|1,0,1]=4 156 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [2,0,0,0,0,0|1,0,1]=4 157 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [2,0,0,0,0,0|0,0,1]=3 158 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [2,0,0,0,0,0|1,0,1]=4 159 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [2,0,0,0,0,0|0,0,1]=3 160 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [2,0,0,0,0,0|2,0,0]=4 161 B8R0.7 CCCCOCC(C)O CNP0506345.0 [2,0,0,0,0,0|1,0,1]=4 162 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [2,0,0,0,0,0|0,0,2]=4 163 B8R0.6 C=CC(O)CCC=CC CNP0288913.0 [2,0,0,0,0,0|0,0,2]=4 164 B8R0.6 C=CCCC[C@H](O)C=C CNP0223839.1 [2,0,0,0,0,0|0,0,2]=4 165 B8R0.6 C=C[C@@H](O)/C=C/CCC CNP0182495.1 [2,0,0,0,0,0|0,0,2]=4 166 B8R0.6 C=C[C@@H](O)C/C=C/CC CNP0227768.1 [2,0,0,0,0,0|0,0,2]=4 167 B8R0.6 C=C[C@@H](O)C/C=C\CC CNP0227768.2 [2,0,0,0,0,0|0,0,2]=4 168 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [2,0,0,0,0,0|0,0,0]=2 169 B8R0.6 C=C[C@H](O)C/C=C/CC CNP0227768.4 [2,0,0,0,0,0|0,0,2]=4 170 B8R0.6 C=C[C@H](O)C/C=C\CC CNP0227768.3 [2,0,0,0,0,0|0,0,2]=4 171 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [2,0,0,0,0,0|0,0,0]=2 172 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [2,0,0,0,0,0|0,0,2]=4 173 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [2,0,0,0,0,0|0,0,2]=4 174 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [2,0,0,0,0,0|0,0,2]=4 175 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [2,0,0,0,0,0|1,0,1]=4 176 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [1,1,0,0,0,0|1,0,1]=4 177 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [1,1,0,0,0,0|1,0,1]=4 178 B10R0.3 C[C@H](O)CCC[C@@H](O)CCO CNP0334179.1 [1,1,0,0,0,0|1,0,1]=4 179 B10R0.4 CCCCCCC#C[C@H](C)O CNP0076972.1 [1,1,0,0,0,0|0,0,2]=4 180 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [1,1,0,0,0,0|0,0,2]=4 181 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [1,1,0,0,0,0|1,0,1]=4 182 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [1,1,0,0,0,0|1,0,1]=4 183 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [1,1,0,0,0,0|0,0,1]=3 184 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [1,1,0,0,0,0|0,0,1]=3 185 B10R0.4 CCCCOCCOC(C)O CNP0572466.0 [1,1,0,0,0,0|1,0,1]=4 186 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [1,1,0,0,0,0|1,0,1]=4 187 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [1,1,0,0,0,0|1,0,1]=4 188 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [1,1,0,0,0,0|1,0,1]=4 189 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [1,1,0,0,0,0|1,0,1]=4 190 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [1,1,0,0,0,0|1,0,1]=4 191 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [1,1,0,0,0,0|1,0,1]=4 192 B10R0.55 CCC(C)CCCCC(C)O CNP0367529.0 [1,1,0,0,0,0|0,0,1]=3 193 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [1,1,0,0,0,0|1,0,1]=4 194 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [1,1,0,0,0,0|1,0,1]=4 195 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [1,1,0,0,0,0|1,0,1]=4 196 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [1,1,0,0,0,0|1,0,1]=4 197 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [1,1,0,0,0,0|1,0,1]=4 198 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [1,1,0,0,0,0|1,0,1]=4 199 B10R0.78 CCCCC(C)CCC(C)C CNP0561617.0 [1,1,0,0,0,0|1,0,1]=4 200 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [1,1,0,0,0,0|1,0,1]=4 201 B10R0.78 CCCC[C@H](O)CCC(C)C CNP0214806.1 [1,1,0,0,0,0|1,0,1]=4 202 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [1,1,0,0,0,0|1,0,1]=4 203 B10R0.97 CC(C)CCCCCC(C)O CNP0127696.0 [1,1,0,0,0,0|0,0,1]=3 204 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [1,1,0,0,0,0|1,0,1]=4 205 B10R0.97 CC(O)CCOCCC(C)O CNP0211333.0 [1,1,0,0,0,0|1,0,1]=4 206 B10R0.1 C=CCCCOC(=O)CCC CNP0608395.0 [1,1,0,0,0,0|1,0,1]=4 207 B10R0.1 CCCCCC[C@@H](C)NC=O CNP0510552.1 [1,1,0,0,0,0|2,0,0]=4 208 B10R0.1 CCCCCC[C@@H](O)CCC CNP0127008.1 [1,1,0,0,0,0|0,0,2]=4 209 B10R0.1 CCCCCC[C@@H](O)CCO CNP0217557.2 [1,1,0,0,0,0|1,0,1]=4 210 B10R0.1 CCCCCC[C@H](C)CCC CNP0332545.1 [1,1,0,0,0,0|0,0,2]=4 211 B10R0.1 CCCCCC[C@H](O)CCO CNP0217557.1 [1,1,0,0,0,0|1,0,1]=4 212 B10R0.71 C#CCCCCCCCCC CNP0601883.0 [1,1,0,0,0,0|0,0,2]=4 213 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [1,1,0,0,0,0|0,0,1]=3 214 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [1,1,0,0,0,0|0,0,1]=3 215 B10R0.71 C=CCCCCCCCC=C CNP0610531.0 [1,1,0,0,0,0|0,0,1]=3 216 B10R0.71 C=CCCCCCCCC=O CNP0003049.0 [1,1,0,0,0,0|0,0,1]=3 217 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [1,1,0,0,0,0|0,0,0]=2 218 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [1,1,0,0,0,0|0,0,0]=2 219 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [1,1,0,0,0,0|0,0,0]=2 220 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [1,1,0,0,0,0|0,0,2]=4 221 B10R0.71 CCCC=CCCCCC=O CNP0001519.0 [1,1,0,0,0,0|1,0,1]=4 222 B10R0.71 CCCCC=CCCCC=O CNP0003436.0 [1,1,0,0,0,0|1,0,1]=4 223 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [1,1,0,0,0,0|1,0,1]=4 224 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [1,1,0,0,0,0|0,0,1]=3 225 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [1,1,0,0,0,0|0,0,2]=4 226 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [1,1,0,0,0,0|1,0,0]=3 227 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [1,1,0,0,0,0|0,0,1]=3 228 B10R0.71 CCCCCCCCCCC CNP0270748.0 [1,1,0,0,0,0|0,0,2]=4 229 B10R0.71 CCCCCCCCCCI CNP0573243.0 [1,1,0,0,0,0|0,0,2]=4 230 B10R0.71 CCCCCCCCCCN CNP0456638.0 [1,1,0,0,0,0|0,0,2]=4 231 B10R0.71 CCCCCCCCCCO CNP0305576.0 [1,1,0,0,0,0|0,0,2]=4 232 B10R0.71 CCCCCCCCCCS CNP0541016.0 [1,1,0,0,0,0|0,0,2]=4 233 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [1,1,0,0,0,0|0,0,2]=4 234 B10R0.71 CCCCCCCCCOC CNP0246631.0 [1,1,0,0,0,0|0,0,2]=4 235 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [1,1,0,0,0,0|1,0,0]=3 236 B10R0.71 CCCCCCCCOCC CNP0319929.0 [1,1,0,0,0,0|0,0,2]=4 237 B10R0.71 CCCCCNCCCCC CNP0450899.0 [1,1,0,0,0,0|0,0,2]=4 238 B10R0.71 CSCCCCCCC=NO CNP0274006.0 [1,1,0,0,0,0|2,0,0]=4 239 B10R0.71 CSCCCCCCCC#N CNP0327429.0 [1,1,0,0,0,0|1,0,1]=4 240 B10R0.71 CSCCCCCCCCN CNP0083876.0 [1,1,0,0,0,0|1,0,1]=4 241 B10R0.71 OCCCCCCCCCO CNP0496013.0 [1,1,0,0,0,0|1,0,1]=4 242 B10R0.71 SCCCCCCCCCS CNP0323084.0 [1,1,0,0,0,0|1,0,1]=4 243 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [1,1,0,0,0,0|0,0,2]=4 244 B10R0.91 C=CCCC(C)CCCCC CNP0083054.0 [1,1,0,0,0,0|0,0,0]=2 245 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [1,1,0,0,0,0|1,0,1]=4 246 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [1,1,0,0,0,0|1,0,1]=4 247 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [1,1,0,0,0,0|1,0,1]=4 248 B10R0.91 CCCCC[C@@H](C)CCCC CNP0127873.2 [1,1,0,0,0,0|0,0,2]=4 249 B10R0.91 CCCCC[C@@H](C)CCCO CNP0181655.1 [1,1,0,0,0,0|1,0,1]=4 250 B10R0.91 CCCCC[C@H](C)CCCC CNP0127873.1 [1,1,0,0,0,0|0,0,2]=4 251 B10R0.91 CCCCC[C@H](C)CCCO CNP0181655.2 [1,1,0,0,0,0|1,0,1]=4 252 B10R0.91 CCCC[C@H](C)CCCC=O CNP0163633.1 [1,1,0,0,0,0|1,0,0]=3 253 B10R0.41 CCCCCCC(OC)OC CNP0402550.0 [1,1,0,0,0,0|1,0,1]=4 254 B10R0.59 CCC(C)CCCC(C)C=O CNP0002769.0 [1,1,0,0,0,0|2,0,0]=4 255 B12R0.1 C#CCC(O)CCCCCCCC CNP0483008.0 [0,2,0,0,0,0|0,0,2]=4 256 B12R0.1 CC=CC(=O)CCCCCCCC CNP0482568.0 [0,2,0,0,0,0|0,0,2]=4 257 B12R0.1 CCCCCCCCC(C)OC=O CNP0539343.0 [0,2,0,0,0,0|2,0,0]=4 258 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O CNP0310989.2 [0,2,0,0,0,0|0,0,1]=3 259 B12R0.4 CCCCCCC[C@H](C)OC(=O)C CNP0247723.1 [0,2,0,0,0,0|1,0,1]=4 260 B12R0.4 CCCCCCC[C@H](O)CC(=O)O CNP0310989.1 [0,2,0,0,0,0|0,0,1]=3 261 B12R0.114 CC=CC(C)C(C)CCCCCC CNP0500249.0 [0,2,0,0,0,0|1,0,0]=3 262 B12R0.206 C=CCOC(=O)CCCCCCC CNP0051221.0 [0,2,0,0,0,0|0,0,2]=4 263 B12R0.239 CCCCC[C@H](O)C[C@H](O)CCC CNP0127326.1 [0,2,0,0,0,0|0,0,2]=4 264 B12R0.57 CCCCCCCCC(OC)OC CNP0339378.0 [0,2,0,0,0,0|1,0,1]=4 265 B12R0.184 C=CC(=O)OCCCCCC(C)C CNP0578427.0 [0,2,0,0,0,0|0,0,2]=4 266 B12R0.184 C=CC(O)CCCCCCC(=O)O CNP0087002.0 [0,2,0,0,0,0|0,0,1]=3 267 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [0,2,0,0,0,0|0,0,2]=4 268 B12R0.248 C=CC(=O)OCCCCCCCC CNP0564168.0 [0,2,0,0,0,0|0,0,2]=4 269 B12R0.248 C=CCCCCCCCC(=O)C=C CNP0268545.0 [0,2,0,0,0,0|0,0,2]=4 270 B12R0.248 C=CCCCCCCCC(C)C=O CNP0082078.0 [0,2,0,0,0,0|2,0,0]=4 271 B12R0.248 CCCCCCCCC[C@@H](C)C=O CNP0086491.2 [0,2,0,0,0,0|2,0,0]=4 272 B12R0.248 CCCCCCCCC[C@H](C)C=O CNP0086491.1 [0,2,0,0,0,0|2,0,0]=4 273 B12R0.251 CCCCCCCC[C@@H](C)C(=O)C CNP0076849.1 [0,2,0,0,0,0|1,0,1]=4 274 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O CNP0216159.2 [0,2,0,0,0,0|2,0,0]=4 275 B12R0.251 CCCCCCCC[C@@H](O)C(=O)O CNP0143340.1 [0,2,0,0,0,0|1,0,0]=3 276 B12R0.251 CCCCCCCC[C@H](C)C(=O)O CNP0216159.1 [0,2,0,0,0,0|2,0,0]=4 277 B12R0.251 CSCCCCCC[C@@H](N)C(=O)O CNP0384442.1 [0,2,0,0,0,0|2,0,0]=4 278 B12R0.46 CCCCCC[C@@H](O)[C@@H](N)C(=O)O CNP0009846.1 [0,2,0,0,0,0|2,0,0]=4 279 B12R0.46 CCCCCC[C@@H](O)[C@H](N)C(=O)O CNP0009846.2 [0,2,0,0,0,0|2,0,0]=4 280 B12R0.46 CCCCCC[C@H](O)[C@@H](N)C(=O)O CNP0009846.4 [0,2,0,0,0,0|2,0,0]=4 281 B12R0.46 CCCCCC[C@H](O)[C@H](N)C(=O)O CNP0009846.3 [0,2,0,0,0,0|2,0,0]=4 282 B12R0.123 CCCCC[C@H](C)C[C@@H](C)C(=O)O CNP0163191.1 [0,2,0,0,0,0|2,0,0]=4 283 B12R0.279 CCCC(C)CCCC(C)C(=O)O CNP0257263.0 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [1,0,0,1,0,0|1,0,1]=4 285 B10R1.10 CCC[C@@H]1CCC[C@@H](N1)C CNP0243950.3 [1,0,0,1,0,0|1,0,1]=4 286 B10R1.10 CCC[C@@H]1CCC[C@H](N1)C CNP0243950.4 [1,0,0,1,0,0|1,0,1]=4 287 B10R1.10 CCC[C@H]1CCC[C@@H](N1)C CNP0243950.2 [1,0,0,1,0,0|1,0,1]=4 288 B10R1.10 CCC[C@H]1CCC[C@H](N1)C CNP0243950.1 [1,0,0,1,0,0|1,0,1]=4 289 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [1,0,0,1,0,0|1,0,1]=4 290 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [1,0,0,1,0,0|1,0,1]=4 291 B10R1.18 CC(C)CC1CCCCC1 CNP0508162.0 [1,0,0,1,0,0|1,0,1]=4 292 B10R1.18 C[C@@H](O)C[C@H]1CCCCN1 CNP0333410.2 [1,0,0,1,0,0|1,0,1]=4 293 B10R1.18 C[C@H](O)C[C@@H]1CCCCN1 CNP0333410.3 [1,0,0,1,0,0|1,0,1]=4 294 B10R1.18 C[C@H](O)C[C@H]1CCCCN1 CNP0333410.1 [1,0,0,1,0,0|1,0,1]=4 295 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [1,0,0,1,0,0|1,0,1]=4 296 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [1,0,0,1,0,0|1,0,1]=4 297 B10R1.64 C[C@@H](O)C[C@@H]1CCCN1C CNP0115494.4 [1,0,0,1,0,0|1,0,1]=4 298 B10R1.64 C[C@@H](O)C[C@H]1CCCN1C CNP0115494.1 [1,0,0,1,0,0|1,0,1]=4 299 B10R1.64 C[C@H](O)C[C@@H]1CCCN1C CNP0115494.3 [1,0,0,1,0,0|1,0,1]=4 300 B10R1.64 C[C@H](O)C[C@H]1CCCN1C CNP0115494.2 [1,0,0,1,0,0|1,0,1]=4 301 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [1,0,0,1,0,0|1,0,1]=4 302 B10R1.4 CCCC1CCCCC1C CNP0605780.0 [1,0,0,1,0,0|0,0,2]=4 303 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [1,0,0,1,0,0|2,0,0]=4 304 B10R1.4 CCC[C@@H]1CCCCN1C CNP0256186.1 [1,0,0,1,0,0|1,0,1]=4 305 B10R1.4 CCC[C@H]1CCCCN1C CNP0256186.2 [1,0,0,1,0,0|1,0,1]=4 306 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [1,0,0,1,0,0|0,0,2]=4 307 B10R1.17 CCCCC1=CCCCC1 CNP0080623.0 [1,0,0,1,0,0|0,0,2]=4 308 B10R1.17 CCCCC1CCCCC1 CNP0108784.0 [1,0,0,1,0,0|0,0,2]=4 309 B10R1.17 O=CCCC1CCCCC1 CNP0417148.0 [1,0,0,1,0,0|1,0,0]=3 310 B10R1.21 C=CCCC=C1CCCC1 CNP0519734.0 [1,0,0,1,0,0|0,0,2]=4 311 B10R1.21 CCCCCC1CCCC1 CNP0373641.0 [1,0,0,1,0,0|0,0,2]=4 312 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [1,0,0,1,0,0|2,0,0]=4 313 B10R1.161 OCC1CCCCCCC1 CNP0085931.0 [1,0,0,1,0,0|1,0,1]=4 314 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [1,0,0,1,0,0|0,0,0]=2 315 B10R1.185 C1CCCCCCCCC1 CNP0529209.0 [1,0,0,1,0,0|0,0,2]=4 316 B10R1.1 CCC[C@@H]1CC[C@@H](CN1)O CNP0303716.2 [1,0,0,1,0,0|1,0,1]=4 317 B10R1.1 CCC[C@H]1CC[C@@H](CC1)O CNP0314418.1 [1,0,0,1,0,0|0,0,2]=4 318 B10R1.1 CCC[C@H]1CC[C@@H](CN1)O CNP0303716.1 [1,0,0,1,0,0|1,0,1]=4 319 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [0,1,0,1,0,0|0,0,2]=4 320 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [0,1,0,1,0,0|0,0,2]=4 321 B12R1.37 CCCCCCCC1=CC=CN1 CNP0033331.0 [0,1,0,1,0,0|1,0,1]=4 322 B12R1.37 CCCCCCCC1=CC=CO1 CNP0285753.0 [0,1,0,1,0,0|0,0,1]=3 323 B12R1.141 C[C@@H]1CCCCCCCC(=O)O1 CNP0363200.1 [0,1,0,1,0,0|2,0,0]=4 324 B12R1.141 C[C@H]1CCCCCCCC(=O)O1 CNP0363200.2 [0,1,0,1,0,0|2,0,0]=4 325 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,1,0,1,0,0|0,0,2]=4 326 B12R1.454 CCCCCCC[C@@H]1O[C@@H]1CC CNP0425218.1 [0,1,0,1,0,0|0,0,2]=4 327 B12R1.1 CCCCCC1CCC(CN1)O CNP0499232.0 [0,1,0,1,0,0|0,0,2]=4 328 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O CNP0308813.2 [0,1,0,1,0,0|2,0,0]=4 329 B12R1.43 N[C@H](CC1CCCCC1)C(=O)O CNP0308813.1 [0,1,0,1,0,0|2,0,0]=4 330 B12R1.669 C=C[C@@]1(CCCC[C@H]1C(=C)C)C CNP0103023.1 [0,1,0,1,0,0|1,0,1]=4 331 B12R2.24 O=C1C=C2CCCCC2CC1 CNP0611969.0 [0,0,0,2,0,0|0,0,2]=4 332 B12R2.1172 OC1C=C[C@@]2(CCO[C@@H]2C1)O CNP0295429.2 [0,0,0,2,0,0|2,0,0]=4 333 B12R2.1172 O[C@H]1C=C[C@]2(CCO[C@H]2C1)O CNP0295429.1 [0,0,0,2,0,0|2,0,0]=4