0 B6R0.6 C#CCCCCO CNP0289179.0 [0,0,0,0,0,0|0,0,4]=4 1 B6R0.6 C=CC=CC=CC CNP0610379.0 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.6 C=CC=CCCC CNP0526826.0 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.6 C=CCCCCC CNP0226691.0 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.6 C=CCCCCO CNP0162421.0 [0,0,0,0,0,0|0,0,4]=4 5 B6R0.6 C=CCOCCO CNP0248950.0 [0,0,0,0,0,0|1,0,3]=4 6 B6R0.6 C=CCSCCC CNP0150756.0 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.6 C=COCCCC CNP0077236.0 [0,0,0,0,0,0|2,0,2]=4 8 B6R0.6 CC#CC=CCO CNP0610509.0 [0,0,0,0,0,0|0,0,2]=2 9 B6R0.6 CC#CCCCO CNP0320046.0 [0,0,0,0,0,0|0,0,4]=4 10 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,0,0,0,0,0|0,0,4]=4 11 B6R0.6 CC=CC=CCC CNP0608489.0 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.6 CC=CC=CCO CNP0292375.0 [0,0,0,0,0,0|0,0,2]=2 13 B6R0.6 CC=CCCCC CNP0158475.0 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.6 CC=CCCCO CNP0309139.0 [0,0,0,0,0,0|0,0,4]=4 15 B6R0.6 CC=CCSCC CNP0575773.0 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.6 CC=CSCCC CNP0320861.0 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.6 CC=CSSCC CNP0418756.0 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 CCC#CCCO CNP0170517.0 [0,0,0,0,0,0|0,0,3]=3 19 B6R0.6 CCC=C=CC=O CNP0611366.0 [0,0,0,0,0,0|0,0,4]=4 20 B6R0.6 CCC=C=CCC CNP0518397.0 [0,0,0,0,0,0|1,0,2]=3 21 B6R0.6 CCC=CCC#N CNP0106706.0 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.6 CCC=CCC=O CNP0227189.0 [0,0,0,0,0,0|2,0,1]=3 23 B6R0.6 CCC=CCCC CNP0391454.0 [0,0,0,0,0,0|1,0,0]=1 24 B6R0.6 CCC=CCCO CNP0255718.0 [0,0,0,0,0,0|0,0,2]=2 25 B6R0.6 CCC=CN=C=S CNP0076586.0 [0,0,0,0,0,0|1,1,2]=4 26 B6R0.6 CCCC#CCO CNP0314465.0 [0,0,0,0,0,0|0,0,2]=2 27 B6R0.6 CCCC=CC=O CNP0263913.0 [0,0,0,0,0,0|0,0,2]=2 28 B6R0.6 CCCC=CCO CNP0254124.0 [0,0,0,0,0,0|0,0,0]=0 29 B6R0.6 CCCC=CNO CNP0162409.0 [0,0,0,0,0,0|1,0,0]=1 30 B6R0.6 CCCCC=CO CNP0511187.0 [0,0,0,0,0,0|0,0,2]=2 31 B6R0.6 CCCCC=NO CNP0149695.0 [0,0,0,0,0,0|1,0,1]=2 32 B6R0.6 CCCCCC#N CNP0412353.0 [0,0,0,0,0,0|1,0,3]=4 33 B6R0.6 CCCCCC=O CNP0304790.0 [0,0,0,0,0,0|0,0,4]=4 34 B6R0.6 CCCCCCC CNP0290800.0 [0,0,0,0,0,0|1,0,2]=3 35 B6R0.6 CCCCCCN CNP0213933.0 [0,0,0,0,0,0|1,0,2]=3 36 B6R0.6 CCCCCCO CNP0317600.0 [0,0,0,0,0,0|0,0,2]=2 37 B6R0.6 CCCCCCS CNP0167948.0 [0,0,0,0,0,0|0,1,2]=3 38 B6R0.6 CCCCCC[O-] CNP0579903.0 [0,0,0,0,0,0|0,0,3]=3 39 B6R0.6 CCCCCNC CNP0276164.0 [0,0,0,0,0,0|2,0,2]=4 40 B6R0.6 CCCCCOC CNP0358174.0 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.6 CCCCCSC CNP0293012.0 [0,0,0,0,0,0|2,0,2]=4 42 B6R0.6 CCCCCSS CNP0228282.0 [0,0,0,0,0,0|1,1,2]=4 43 B6R0.6 CCCCN=C=S CNP0328773.0 [0,0,0,0,0,0|1,1,2]=4 44 B6R0.6 CCCCNC=O CNP0082472.0 [0,0,0,0,0,0|1,0,3]=4 45 B6R0.6 CCCCOC=O CNP0282325.0 [0,0,0,0,0,0|1,0,3]=4 46 B6R0.6 CCCCON=O CNP0003508.0 [0,0,0,0,0,0|2,0,2]=4 47 B6R0.6 CCCCSSC CNP0532819.0 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.6 CCCNCCC CNP0129820.0 [0,0,0,0,0,0|2,0,1]=3 49 B6R0.6 CCCOCCO CNP0079853.0 [0,0,0,0,0,0|1,0,1]=2 50 B6R0.6 CCCSCCC CNP0173387.0 [0,0,0,0,0,0|2,0,1]=3 51 B6R0.6 CCCSSCC CNP0322971.0 [0,0,0,0,0,0|3,0,0]=3 52 B6R0.6 CCCSSSC CNP0104471.0 [0,0,0,0,0,0|4,0,0]=4 53 B6R0.6 CCOCCCO CNP0304052.0 [0,0,0,0,0,0|1,0,2]=3 54 B6R0.6 CCOCCCS CNP0267296.0 [0,0,0,0,0,0|1,1,2]=4 55 B6R0.6 CCSCCCO CNP0355297.0 [0,0,0,0,0,0|1,0,2]=3 56 B6R0.6 CCSSCSC CNP0003140.0 [0,0,0,0,0,0|4,0,0]=4 57 B6R0.6 CCSSSCC CNP0196220.0 [0,0,0,0,0,0|4,0,0]=4 58 B6R0.6 CNCCCCN CNP0157274.0 [0,0,0,0,0,0|2,0,2]=4 59 B6R0.6 COCC#CCO CNP0527985.0 [0,0,0,0,0,0|1,0,2]=3 60 B6R0.6 COCCCCO CNP0570905.0 [0,0,0,0,0,0|1,0,2]=3 61 B6R0.6 CSCCCCO CNP0002400.0 [0,0,0,0,0,0|1,0,2]=3 62 B6R0.6 ClCCOCCCl CNP0082891.0 [0,0,0,0,0,0|3,0,1]=4 63 B6R0.6 NCCCCCN CNP0184259.0 [0,0,0,0,0,0|2,0,2]=4 64 B6R0.6 NCCCCCO CNP0032450.0 [0,0,0,0,0,0|1,0,2]=3 65 B6R0.6 NCCOCCN CNP0447264.0 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.6 OCCCCCO CNP0201249.0 [0,0,0,0,0,0|1,0,2]=3 67 B6R0.6 OCCNCCO CNP0247543.0 [0,0,0,0,0,0|2,0,1]=3 68 B6R0.6 OCCOCCO CNP0333860.0 [0,0,0,0,0,0|2,0,1]=3 69 B6R0.6 OCCSCCO CNP0335773.0 [0,0,0,0,0,0|2,0,1]=3 70 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,0,0,0,0|0,0,2]=3 71 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,0,0,0,0|0,0,2]=3 72 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|0,0,2]=3 73 B5R0.2 C=CCCCO CNP0003396.0 [1,0,0,0,0,0|0,0,3]=4 74 B5R0.2 C=CCSCC CNP0261096.0 [1,0,0,0,0,0|1,0,2]=4 75 B5R0.2 C=CSSCC CNP0003136.0 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.2 CC#CCCO CNP0515871.0 [1,0,0,0,0,0|0,0,3]=4 77 B5R0.2 CC=C=CCO CNP0426440.0 [1,0,0,0,0,0|0,0,2]=3 78 B5R0.2 CC=C=COC CNP0519318.0 [1,0,0,0,0,0|1,0,2]=4 79 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,0,0,0,0|0,0,2]=3 80 B5R0.2 CC=CCC#N CNP0080085.0 [1,0,0,0,0,0|1,0,1]=3 81 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,0,0,0,0|1,0,1]=3 82 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|0,0,0]=1 83 B5R0.2 CC=CCCO CNP0253382.0 [1,0,0,0,0,0|1,0,0]=2 84 B5R0.2 CC=CSSC CNP0214071.0 [1,0,0,0,0,0|2,0,0]=3 85 B5R0.2 CCC#CCO CNP0076027.0 [1,0,0,0,0,0|0,0,2]=3 86 B5R0.2 CCC=CC#N CNP0080058.0 [1,0,0,0,0,0|1,0,1]=3 87 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,0,0,0,0|0,0,2]=3 88 B5R0.2 CCC=CCO CNP0239009.0 [1,0,0,0,0,0|0,0,0]=1 89 B5R0.2 CCC=CSC CNP0068372.0 [1,0,0,0,0,0|1,0,1]=3 90 B5R0.2 CCC=CSO CNP0458289.0 [1,0,0,0,0,0|1,0,0]=2 91 B5R0.2 CCC=NNC CNP0543863.0 [1,0,0,0,0,0|2,0,1]=4 92 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|0,0,0]=1 93 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|1,0,0]=2 94 B5R0.2 CCCCC#N CNP0357663.0 [1,0,0,0,0,0|1,0,2]=4 95 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|0,0,2]=3 96 B5R0.2 CCCCCBr CNP0018690.0 [1,0,0,0,0,0|1,0,1]=3 97 B5R0.2 CCCCCC CNP0269021.0 [1,0,0,0,0,0|0,0,2]=3 98 B5R0.2 CCCCCI CNP0017763.0 [1,0,0,0,0,0|1,0,1]=3 99 B5R0.2 CCCCCN CNP0203183.0 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.2 CCCCCO CNP0244882.0 [1,0,0,0,0,0|0,0,1]=2 101 B5R0.2 CCCCCS CNP0260876.0 [1,0,0,0,0,0|0,1,1]=3 102 B5R0.2 CCCCNC CNP0277639.0 [1,0,0,0,0,0|1,0,1]=3 103 B5R0.2 CCCCOC CNP0609033.0 [1,0,0,0,0,0|1,0,1]=3 104 B5R0.2 CCCCSC CNP0562965.0 [1,0,0,0,0,0|1,0,1]=3 105 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,0,0,0,0|1,0,2]=4 106 B5R0.2 CCCN=C=S CNP0077279.0 [1,0,0,0,0,0|1,1,1]=4 107 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|1,0,1]=3 108 B5R0.2 CCCSC#N CNP0395197.0 [1,0,0,0,0,0|2,0,1]=4 109 B5R0.2 CCCSCC CNP0316215.0 [1,0,0,0,0,0|1,0,1]=3 110 B5R0.2 CCCSSC CNP0296815.0 [1,0,0,0,0,0|2,0,0]=3 111 B5R0.2 CCNCCN CNP0281269.0 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.2 CCNCCO CNP0396370.0 [1,0,0,0,0,0|1,0,1]=3 113 B5R0.2 CCOCCO CNP0319988.0 [1,0,0,0,0,0|1,0,1]=3 114 B5R0.2 CCSCCN CNP0506731.0 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.2 CCSSCC CNP0416624.0 [1,0,0,0,0,0|2,0,1]=4 116 B5R0.2 CCSSSC CNP0407481.0 [1,0,0,0,0,0|3,0,0]=4 117 B5R0.2 CNCCNC CNP0480039.0 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.2 COC=COC CNP0416791.0 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.2 COCCOC CNP0144142.0 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.2 CSC=CSC CNP0075985.0 [1,0,0,0,0,0|2,0,1]=4 121 B5R0.2 CSCCC=O CNP0136743.0 [1,0,0,0,0,0|1,0,2]=4 122 B5R0.2 CSCCCN CNP0348726.0 [1,0,0,0,0,0|2,0,1]=4 123 B5R0.2 CSCCCO CNP0359993.0 [1,0,0,0,0,0|1,0,1]=3 124 B5R0.2 CSCSSC CNP0313036.0 [1,0,0,0,0,0|3,0,0]=4 125 B5R0.2 N#CCCCO CNP0358912.0 [1,0,0,0,0,0|1,0,2]=4 126 B5R0.2 NCCCC=O CNP0359033.0 [1,0,0,0,0,0|1,0,2]=4 127 B5R0.2 NCCCCN CNP0116270.0 [1,0,0,0,0,0|2,0,1]=4 128 B5R0.2 NCCCCO CNP0514594.0 [1,0,0,0,0,0|1,0,1]=3 129 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,0,0,0,0|1,0,1]=3 130 B5R0.2 OCC=CCO CNP0296138.0 [1,0,0,0,0,0|1,0,0]=2 131 B5R0.2 OCCCCBr CNP0083982.0 [1,0,0,0,0,0|1,0,1]=3 132 B5R0.2 OCCCCCl CNP0079807.0 [1,0,0,0,0,0|1,0,1]=3 133 B5R0.2 OCCCCO CNP0080008.0 [1,0,0,0,0,0|1,0,1]=3 134 B5R0.2 ON=CC=NO CNP0213631.0 [1,0,0,0,0,0|3,0,0]=4 135 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,0,0,0,0,0|1,0,2]=4 136 B7R0.1 C#CC=CCCCC CNP0076122.0 [0,1,0,0,0,0|1,0,1]=3 137 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,1,0,0,0,0|1,0,2]=4 138 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,1,0,0,0,0|1,0,2]=4 139 B7R0.1 C=CC=CCCC=C CNP0365770.0 [0,1,0,0,0,0|1,0,2]=4 140 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,1,0,0,0,0|1,0,1]=3 141 B7R0.1 C=CCCCCCC CNP0246919.0 [0,1,0,0,0,0|1,0,2]=4 142 B7R0.1 C=CCCCCCO CNP0075956.0 [0,1,0,0,0,0|0,0,3]=4 143 B7R0.1 C=CCSSCCC CNP0170059.0 [0,1,0,0,0,0|3,0,0]=4 144 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,1,0,0,0,0|1,0,1]=3 145 B7R0.1 CC=CCC=CCO CNP0168622.0 [0,1,0,0,0,0|0,0,1]=2 146 B7R0.1 CC=CCCCCC CNP0199237.0 [0,1,0,0,0,0|1,0,2]=4 147 B7R0.1 CC=CCSCCC CNP0536250.0 [0,1,0,0,0,0|1,0,2]=4 148 B7R0.1 CC=CSSCCC CNP0421889.0 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.1 CCC#CC=CCO CNP0417978.0 [0,1,0,0,0,0|0,0,1]=2 150 B7R0.1 CCC#CCCCC CNP0602501.0 [0,1,0,0,0,0|1,0,2]=4 151 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,1,0,0,0,0|0,0,3]=4 152 B7R0.1 CCC=CC=CCC CNP0546897.0 [0,1,0,0,0,0|1,0,1]=3 153 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,1,0,0,0,0|0,0,1]=2 154 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,1,0,0,0,0|1,0,1]=3 155 B7R0.1 CCC=CCCCC CNP0084702.0 [0,1,0,0,0,0|1,0,0]=2 156 B7R0.1 CCC=CCCCO CNP0003503.0 [0,1,0,0,0,0|1,0,0]=2 157 B7R0.1 CCCC#CCCC CNP0381743.0 [0,1,0,0,0,0|1,0,2]=4 158 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,1,0,0,0,0|0,0,1]=2 159 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,1,0,0,0,0|0,0,1]=2 160 B7R0.1 CCCC=CCCC CNP0541880.0 [0,1,0,0,0,0|1,0,0]=2 161 B7R0.1 CCCC=CCCO CNP0287313.0 [0,1,0,0,0,0|0,0,0]=1 162 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,1,0,0,0,0|0,0,2]=3 163 B7R0.1 CCCCC=CCO CNP0191159.0 [0,1,0,0,0,0|0,0,0]=1 164 B7R0.1 CCCCCCC#N CNP0186663.0 [0,1,0,0,0,0|1,0,2]=4 165 B7R0.1 CCCCCCC=O CNP0243745.0 [0,1,0,0,0,0|0,0,3]=4 166 B7R0.1 CCCCCCCC CNP0286567.0 [0,1,0,0,0,0|1,0,2]=4 167 B7R0.1 CCCCCCCN CNP0186919.0 [0,1,0,0,0,0|1,0,2]=4 168 B7R0.1 CCCCCCCO CNP0329737.0 [0,1,0,0,0,0|0,0,2]=3 169 B7R0.1 CCCCCCNC CNP0413437.0 [0,1,0,0,0,0|1,0,2]=4 170 B7R0.1 CCCCCOCC CNP0520137.0 [0,1,0,0,0,0|1,0,2]=4 171 B7R0.1 CCCCN=CC=S CNP0423600.0 [0,1,0,0,0,0|0,1,2]=4 172 B7R0.1 CCCCNCCO CNP0185911.0 [0,1,0,0,0,0|0,0,2]=3 173 B7R0.1 CCCCOCCO CNP0080154.0 [0,1,0,0,0,0|0,0,2]=3 174 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [0,1,0,0,0,0|0,1,2]=4 175 B7R0.1 CCCSSCCC CNP0328321.0 [0,1,0,0,0,0|2,0,1]=4 176 B7R0.1 CCCSSSCC CNP0094065.0 [0,1,0,0,0,0|3,0,0]=4 177 B7R0.1 CCNCCCCN CNP0107714.0 [0,1,0,0,0,0|1,0,2]=4 178 B7R0.1 CCNCCNCC CNP0103183.0 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.1 CCSCSSCC CNP0079298.0 [0,1,0,0,0,0|3,0,0]=4 180 B7R0.1 CNCCCCCN CNP0390055.0 [0,1,0,0,0,0|1,0,2]=4 181 B7R0.1 COCCOCCO CNP0610336.0 [0,1,0,0,0,0|1,0,1]=3 182 B7R0.1 CSCCCC=NO CNP0610383.0 [0,1,0,0,0,0|1,0,1]=3 183 B7R0.1 NCCCCCCN CNP0230906.0 [0,1,0,0,0,0|1,0,2]=4 184 B7R0.1 NCCCCCCO CNP0568466.0 [0,1,0,0,0,0|0,0,2]=3 185 B7R0.1 NCCCCCNO CNP0455910.0 [0,1,0,0,0,0|1,0,2]=4 186 B7R0.1 NCCCNCCS CNP0050642.0 [0,1,0,0,0,0|1,1,1]=4 187 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,1,0,0,0,0|0,0,3]=4 188 B7R0.1 OCCCCCCBr CNP0593386.0 [0,1,0,0,0,0|0,0,2]=3 189 B7R0.1 OCCCCCCO CNP0080019.0 [0,1,0,0,0,0|0,0,2]=3 190 B7R0.1 OCCCCCCS CNP0154751.0 [0,1,0,0,0,0|0,0,2]=3 191 B7R0.1 OCCCSCCO CNP0079791.0 [0,1,0,0,0,0|1,0,1]=3 192 B7R0.1 OCCSSCCO CNP0279278.0 [0,1,0,0,0,0|2,0,1]=4 193 B7R0.1 SCCCCCCS CNP0089642.0 [0,1,0,0,0,0|0,1,2]=4 194 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,1,0,0,0,0|0,0,3]=4 195 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,1,0,0,0,0|1,0,1]=3 196 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,1,0,0,0,0|1,0,1]=3 197 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,1,0,0,0,0|1,0,2]=4 198 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,1,0,0,0,0|0,0,3]=4 199 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,1,0,0,0,0|2,0,1]=4 200 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,1,0,0,0,0|1,0,2]=4 201 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,1,0,0,0,0|0,0,2]=3 202 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,1,0,0,0,0|1,0,1]=3 203 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,1,0,0,0,0|1,0,0]=2 204 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,1,0,0,0,0|1,0,1]=3 205 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,1,0,0,0,0|2,0,1]=4 206 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,1,0,0,0,0|0,0,2]=3 207 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,1,0,0,0,0|0,0,2]=3 208 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,1,0,0,0,0|1,0,2]=4 209 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,1,0,0,0,0|1,0,2]=4 210 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,1,0,0,0,0|0,0,2]=3 211 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,1,0,0,0,0|1,0,2]=4 212 B7R0.3 CCCNC(=S)NN CNP0494468.0 [0,1,0,0,0,0|3,0,0]=4 213 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,1,0,0,0,0|2,0,0]=3 214 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,1,0,0,0,0|3,0,0]=4 216 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [0,1,0,0,0,0|1,1,1]=4 217 B7R0.3 CC[C@@H](C)/[NH+]=C/C=S CNP0564255.1 [0,1,0,0,0,0|1,1,1]=4 218 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,1,0,0,0,0|0,0,0]=1 219 B7R0.3 CC[C@@H](O)C#CCO CNP0328022.1 [0,1,0,0,0,0|0,0,2]=3 220 B7R0.3 CC[C@H](O)C#CCO CNP0328022.2 [0,1,0,0,0,0|0,0,2]=3 221 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,1,0,0,0,0|1,0,0]=2 222 B7R0.3 CON=CC(O)CO CNP0082054.0 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [0,1,0,0,0,0|1,0,2]=4 224 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [0,1,0,0,0,0|1,0,2]=4 225 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,1,0,0,0,0|0,0,3]=4 226 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,1,0,0,0,0|0,0,2]=3 227 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,1,0,0,0,0|0,0,2]=3 228 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,1,0,0,0,0|1,0,0]=2 229 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,1,0,0,0,0|1,0,0]=2 230 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,1,0,0,0,0|1,0,0]=2 231 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,1,0,0,0,0|0,0,3]=4 232 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,1,0,0,0,0|1,0,1]=3 233 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,1,0,0,0,0|0,0,3]=4 234 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,1,0,0,0,0|0,0,2]=3 235 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,1,0,0,0,0|0,0,1]=2 236 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,1,0,0,0,0|0,0,3]=4 237 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,1,0,0,0,0|0,0,3]=4 238 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,1,0,0,0,0|1,0,2]=4 239 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,1,0,0,0,0|0,0,3]=4 240 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,1,0,0,0,0|1,0,2]=4 241 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,1,0,0,0,0|0,0,2]=3 242 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,1,0,0,0,0|0,1,2]=4 243 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,1,0,0,0,0|1,0,2]=4 244 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,1,0,0,0,0|0,0,2]=3 245 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,1,0,0,0,0|0,1,2]=4 246 B7R0.4 CCCNCC(C)C CNP0333564.0 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.4 CCCSCC(C)C CNP0116113.0 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.4 CCCSSC(C)C CNP0309421.0 [0,1,0,0,0,0|3,0,0]=4 249 B7R0.4 CCNCCC(C)C CNP0184897.0 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.4 CSSC=CC(C)C CNP0002674.0 [0,1,0,0,0,0|3,0,0]=4 252 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [0,1,0,0,0,0|1,0,2]=4 253 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,1,0,0,0,0|1,0,1]=3 254 B7R0.7 C=C(OCC)OCC CNP0510072.0 [0,1,0,0,0,0|3,0,0]=4 255 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,1,0,0,0,0|1,0,2]=4 256 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,1,0,0,0,0|1,0,2]=4 257 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,1,0,0,0,0|1,0,1]=3 258 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,1,0,0,0,0|2,0,1]=4 259 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,0,0,0,0|1,0,2]=4 260 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,1,0,0,0,0|1,0,2]=4 261 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,1,0,0,0,0|1,0,0]=2 262 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,1,0,0,0,0|1,0,1]=3 263 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,1,0,0,0,0|2,0,0]=3 264 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,1,0,0,0,0|2,0,0]=3 265 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,1,0,0,0,0|1,0,2]=4 266 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,1,0,0,0,0|1,0,2]=4 267 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,1,0,0,0,0|0,0,2]=3 268 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,1,0,0,0,0|2,0,1]=4 269 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,1,0,0,0,0|0,0,2]=3 270 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,1,0,0,0,0|0,0,2]=3 271 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,1,0,0,0,0|0,0,2]=3 273 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,1,0,0,0,0|2,0,1]=4 274 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,1,0,0,0,0|2,0,1]=4 275 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,1,0,0,0,0|2,0,1]=4 276 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,1,0,0,0,0|1,1,1]=4 277 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,1,0,0,0,0|3,0,0]=4 278 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,1,0,0,0,0|3,0,0]=4 279 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,1,0,0,0,0|3,0,0]=4 280 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [0,1,0,0,0,0|2,0,0]=3 281 B7R0.7 OCCC(O)CCO CNP0198973.0 [0,1,0,0,0,0|1,0,2]=4 282 B7R0.7 [O-][S+](CCO)CCO CNP0606218.0 [0,1,0,0,0,0|2,0,1]=4 283 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,0,0,1,0,0|0,0,2]=3 284 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [0,0,0,1,0,0|0,1,2]=4 285 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,0,0,1,0,0|1,0,0]=2 286 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,0,0,1,0,0|2,0,1]=4 287 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [0,0,0,1,0,0|2,0,1]=4 288 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,0,0,1,0,0|1,0,2]=4 289 B7R1.1 CCC1OCCO1 CNP0566823.0 [0,0,0,1,0,0|1,0,1]=3 290 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [0,0,0,1,0,0|2,0,1]=4 291 B7R1.1 COC1OCCO1 CNP0076084.0 [0,0,0,1,0,0|2,0,1]=4 292 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [0,0,0,1,0,0|2,0,1]=4 293 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [0,0,0,1,0,0|1,0,2]=4 294 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [0,0,0,1,0,0|1,0,2]=4 295 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,0,0,1,0,0|1,0,2]=4 296 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [0,0,0,1,0,0|1,0,2]=4 297 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [0,0,0,1,0,0|1,0,1]=3 298 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,0,0,1,0,0|1,0,1]=3 299 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [0,0,0,1,0,0|1,0,1]=3 300 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,0,0,1,0,0|1,0,1]=3 301 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [0,0,0,1,0,0|1,0,2]=4 302 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,0,0,1,0,0|1,0,2]=4 303 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,0,1,0,0|1,0,2]=4 304 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,0,0,1,0,0|1,0,1]=3 305 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,1,0,0|1,0,2]=4 306 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,0,0,1,0,0|1,0,2]=4 307 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,1,0,0|0,0,2]=3 308 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,0,0,1,0,0|2,0,1]=4 309 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,0,0,1,0,0|1,0,1]=3 310 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [0,0,0,1,0,0|0,1,2]=4 311 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,0,0,1,0,0|1,0,0]=2 312 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,0,0,1,0,0|1,0,2]=4 313 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,0,0,1,0,0|1,0,2]=4 314 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [0,0,0,1,0,0|0,1,2]=4 315 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,0,0,1,0,0|1,0,2]=4 316 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,0,0,1,0,0|1,0,2]=4 317 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [0,0,0,1,0,0|3,0,0]=4 318 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,1,0,0|0,0,2]=3 319 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,1,0,0|1,0,2]=4 320 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,0,1,0,0|2,0,1]=4 321 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,1,0,0|1,0,2]=4 322 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,1,0,0|0,0,2]=3 323 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [0,0,0,1,0,0|1,0,1]=3 324 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,0,0,1,0,0|1,0,2]=4 325 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,0,0,1,0,0|0,0,2]=3 326 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,0,0,1,0,0|0,0,2]=3 327 B7R1.3 OC1COCOC1 CNP0567932.0 [0,0,0,1,0,0|2,0,1]=4 328 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,0,0,1,0,0|0,0,0]=1 329 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,0,0,1,0,0|0,0,0]=1 330 B7R1.4 CC1OCCC1O CNP0002607.0 [0,0,0,1,0,0|1,0,2]=4 331 B7R1.4 CC1SCCC1O CNP0179885.0 [0,0,0,1,0,0|1,0,2]=4 332 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,1,0,0|1,0,2]=4 333 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,0,0,1,0,0|1,0,2]=4 334 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,0,0,1,0,0|1,0,2]=4 335 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,0,0,1,0,0|0,0,2]=3 336 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,0,0,1,0,0|3,0,0]=4 337 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,0,0,1,0,0|1,0,2]=4 338 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [0,0,0,1,0,0|2,0,1]=4 339 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [0,0,0,1,0,0|2,0,1]=4 340 B7R1.4 OC1CCCC1O CNP0519159.0 [0,0,0,1,0,0|1,0,2]=4 341 B7R1.4 O[C@@H]1COC[C@@H]1O CNP0326371.1 [0,0,0,1,0,0|2,0,1]=4 342 B7R1.4 O[C@@H]1COC[C@H]1O CNP0326371.2 [0,0,0,1,0,0|2,0,1]=4 343 B7R1.4 O[C@H]1COC[C@@H]1O CNP0326371.3 [0,0,0,1,0,0|2,0,1]=4 344 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,0,0,1,0,0|2,0,1]=4 345 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,0,0,1,0,0|0,1,2]=4 346 B7R1.7 CCCCC1CO1 CNP0608682.0 [0,0,0,1,0,0|0,0,2]=3 347 B7R1.8 CCC1CCC1O CNP0521190.0 [0,0,0,1,0,0|0,0,2]=3 348 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [0,0,0,1,0,0|1,0,1]=3 349 B7R1.24 C1CCCCCC1 CNP0223227.0 [0,0,0,1,0,0|1,0,2]=4 350 B7R1.24 C1COCOCO1 CNP0076298.0 [0,0,0,1,0,0|2,0,1]=4 351 B4R0.2 C#CC=CC CNP0541501.0 [2,0,0,0,0,0|0,0,2]=4 352 B4R0.2 C#CCCC CNP0510243.0 [2,0,0,0,0,0|0,0,2]=4 353 B4R0.2 C#CCCO CNP0577358.0 [2,0,0,0,0,0|0,0,2]=4 354 B4R0.2 C=C=CCC CNP0484675.0 [2,0,0,0,0,0|0,0,2]=4 355 B4R0.2 C=CC=CC CNP0501543.0 [2,0,0,0,0,0|0,0,2]=4 356 B4R0.2 C=CC=NO CNP0532391.0 [2,0,0,0,0,0|1,0,1]=4 357 B4R0.2 C=CCC#N CNP0498043.0 [2,0,0,0,0,0|1,0,1]=4 358 B4R0.2 C=CCC=C CNP0494589.0 [2,0,0,0,0,0|0,0,2]=4 359 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|0,0,0]=2 360 B4R0.2 C=CCCN CNP0493733.0 [2,0,0,0,0,0|1,0,0]=3 361 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|1,0,0]=3 362 B4R0.2 C=CCSC CNP0572475.0 [2,0,0,0,0,0|1,0,0]=3 363 B4R0.2 C=CCSO CNP0600527.0 [2,0,0,0,0,0|2,0,0]=4 364 B4R0.2 C=CC[Se]C CNP0612039.0 [2,0,0,0,0,0|1,0,0]=3 365 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|1,0,0]=3 366 B4R0.2 C=CSCC CNP0581257.0 [2,0,0,0,0,0|1,0,0]=3 367 B4R0.2 CC#CCC CNP0516358.0 [2,0,0,0,0,0|0,0,2]=4 368 B4R0.2 CC=CC#N CNP0588304.0 [2,0,0,0,0,0|1,0,1]=4 369 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|0,0,2]=4 370 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|0,0,0]=2 371 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|0,0,0]=2 372 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|0,1,0]=3 373 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|1,0,0]=3 374 B4R0.2 CC=CSO CNP0521494.0 [2,0,0,0,0,0|1,0,0]=3 375 B4R0.2 CCC#CO CNP0612045.0 [2,0,0,0,0,0|0,0,2]=4 376 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|1,0,0]=3 377 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|1,0,1]=4 378 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,0,1]=3 379 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|0,0,1]=3 380 B4R0.2 CCCCI CNP0558480.0 [2,0,0,0,0,0|1,0,0]=3 381 B4R0.2 CCCCN CNP0597509.0 [2,0,0,0,0,0|1,0,0]=3 382 B4R0.2 CCCCO CNP0505612.0 [2,0,0,0,0,0|0,0,0]=2 383 B4R0.2 CCCCS CNP0598878.0 [2,0,0,0,0,0|0,1,0]=3 384 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|1,0,0]=3 385 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|1,0,0]=3 386 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|1,0,0]=3 387 B4R0.2 CCCSO CNP0594110.0 [2,0,0,0,0,0|1,0,0]=3 388 B4R0.2 CCNCC CNP0491960.0 [2,0,0,0,0,0|1,0,1]=4 389 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|1,0,1]=4 390 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|1,0,1]=4 391 B4R0.2 CCSCC CNP0518873.0 [2,0,0,0,0,0|1,0,1]=4 392 B4R0.2 CCSSC CNP0571147.0 [2,0,0,0,0,0|2,0,0]=4 393 B4R0.2 CN=CC=S CNP0547393.0 [2,0,0,0,0,0|1,1,0]=4 394 B4R0.2 CNCCN CNP0496542.0 [2,0,0,0,0,0|2,0,0]=4 395 B4R0.2 CNCCO CNP0513801.0 [2,0,0,0,0,0|1,0,0]=3 396 B4R0.2 COCCI CNP0495552.0 [2,0,0,0,0,0|2,0,0]=4 397 B4R0.2 COCCO CNP0561250.0 [2,0,0,0,0,0|1,0,0]=3 398 B4R0.2 COCC[Si] CNP0501162.0 [2,0,0,0,0,0|1,1,0]=4 399 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|1,0,1]=4 400 B4R0.2 CSCCO CNP0574269.0 [2,0,0,0,0,0|1,0,0]=3 401 B4R0.2 CSCSC CNP0591427.0 [2,0,0,0,0,0|2,0,0]=4 402 B4R0.2 ClC=CCCl CNP0530301.0 [2,0,0,0,0,0|2,0,0]=4 403 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|1,0,1]=4 404 B4R0.2 NCCCN CNP0566837.0 [2,0,0,0,0,0|2,0,0]=4 405 B4R0.2 NCCCO CNP0538228.0 [2,0,0,0,0,0|1,0,0]=3 406 B4R0.2 NCCCS CNP0560812.0 [2,0,0,0,0,0|1,1,0]=4 407 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|1,0,1]=4 408 B4R0.2 OCC=CCl CNP0578872.0 [2,0,0,0,0,0|1,0,0]=3 409 B4R0.2 OCCCBr CNP0506989.0 [2,0,0,0,0,0|1,0,0]=3 410 B4R0.2 OCCCO CNP0503416.0 [2,0,0,0,0,0|1,0,0]=3 411 B4R0.2 OCCCS CNP0586497.0 [2,0,0,0,0,0|1,0,0]=3 412 B4R0.2 SCCCS CNP0528691.0 [2,0,0,0,0,0|1,1,0]=4 413 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [2,0,0,0,0,0|1,0,1]=4 414 B6R0.1 C/C=C/[S@@+]([O-])SC CNP0489846.1 [1,1,0,0,0,0|2,0,0]=4 415 B6R0.1 C/C=C/[S@@H+]([O-])SC CNP0574496.1 [1,1,0,0,0,0|2,0,0]=4 416 B6R0.1 C=C(CO)CCO CNP0082069.0 [1,1,0,0,0,0|1,0,0]=3 417 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,1,0,0,0,0|0,0,2]=4 418 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,1,0,0,0,0|0,0,1]=3 419 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,1,0,0,0,0|1,0,1]=4 420 B6R0.1 C=CC=C(C)CO CNP0191364.0 [1,1,0,0,0,0|0,0,2]=4 421 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [1,1,0,0,0,0|0,0,2]=4 422 B6R0.1 CC(=CC=O)CO CNP0083852.0 [1,1,0,0,0,0|1,0,1]=4 423 B6R0.1 CC(=CCO)CO CNP0277047.0 [1,1,0,0,0,0|1,0,0]=3 424 B6R0.1 CC=C(C)CSC CNP0003230.0 [1,1,0,0,0,0|1,0,0]=3 425 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,1,0,0,0,0|0,0,2]=4 426 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,1,0,0,0,0|0,0,1]=3 427 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,1,0,0,0,0|1,0,1]=4 428 B6R0.1 CC=CS(=S)OC CNP0560483.0 [1,1,0,0,0,0|2,0,0]=4 429 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,1,0,0,0,0|1,0,1]=4 430 B6R0.1 CCC(Br)CCBr CNP0612222.0 [1,1,0,0,0,0|1,0,1]=4 431 B6R0.1 CCC(C)C=NO CNP0605626.0 [1,1,0,0,0,0|1,0,0]=3 432 B6R0.1 CCC(C)CC=O CNP0531748.0 [1,1,0,0,0,0|0,0,2]=4 433 B6R0.1 CCC(C)NC=O CNP0583042.0 [1,1,0,0,0,0|1,0,1]=4 434 B6R0.1 CCC(C)OC=O CNP0570369.0 [1,1,0,0,0,0|1,0,1]=4 435 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,1,0,0,0,0|0,0,2]=4 436 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,1,0,0,0,0|0,0,0]=2 437 B6R0.1 CCCC(=NO)C CNP0211014.0 [1,1,0,0,0,0|1,0,0]=3 438 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,1,0,0,0,0|1,0,1]=4 439 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,1,0,0,0,0|0,0,1]=3 440 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,1,0,0,0,0|0,0,1]=3 441 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,1,0,0,0,0|0,0,0]=2 442 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,1,0,0,0,0|1,0,0]=3 443 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,1,0,0,0,0|1,0,0]=3 444 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [1,1,0,0,0,0|0,0,2]=4 445 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,1,0,0,0,0|0,0,2]=4 446 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [1,1,0,0,0,0|0,0,1]=3 447 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [1,1,0,0,0,0|1,0,1]=4 448 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,1,0,0,0,0|0,0,2]=4 449 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,1,0,0,0,0|0,0,2]=4 450 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [1,1,0,0,0,0|0,0,1]=3 451 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [1,1,0,0,0,0|1,0,1]=4 452 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,1,0,0,0,0|0,0,2]=4 453 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [1,1,0,0,0,0|2,0,0]=4 454 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,1,0,0,0,0|1,0,1]=4 455 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,1,0,0,0,0|2,0,0]=4 456 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,1,0,0,0,0|1,0,1]=4 457 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,1,0,0,0,0|1,0,1]=4 458 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,1,0,0,0,0|2,0,0]=4 459 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,1,0,0,0,0|2,0,0]=4 460 B6R0.1 CCOC(C)CC CNP0086282.0 [1,1,0,0,0,0|1,0,1]=4 461 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,1,0,0,0,0|1,0,1]=4 462 B6R0.1 CCSC(S)CC CNP0488688.0 [1,1,0,0,0,0|1,0,1]=4 463 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [1,1,0,0,0,0|0,0,1]=3 464 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [1,1,0,0,0,0|2,0,0]=4 465 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [1,1,0,0,0,0|0,0,1]=3 466 B6R0.1 CNC(=S)NCO CNP0487489.0 [1,1,0,0,0,0|2,0,0]=4 467 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,1,0,0,0,0|2,0,0]=4 468 B6R0.1 COC(=O)C=NO CNP0235637.0 [1,1,0,0,0,0|2,0,0]=4 469 B6R0.1 COC(=O)CSC CNP0189712.0 [1,1,0,0,0,0|2,0,0]=4 470 B6R0.1 COCC(=O)OC CNP0202591.0 [1,1,0,0,0,0|2,0,0]=4 471 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [1,1,0,0,0,0|1,0,1]=4 472 B6R0.1 COC[C@H](O)CO CNP0105123.2 [1,1,0,0,0,0|1,0,1]=4 473 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [1,1,0,0,0,0|1,0,1]=4 475 B6R0.1 OCO[C@H](O)CO CNP0278922.1 [1,1,0,0,0,0|2,0,0]=4 476 B6R0.4 C/C=C/S[S@@+](C)[O-] CNP0519070.2 [1,1,0,0,0,0|2,0,0]=4 477 B6R0.4 C/C=C/S[S@@H+](C)[O-] CNP0550380.1 [1,1,0,0,0,0|2,0,0]=4 478 B6R0.4 C/C=C\S[S@@+](C)[O-] CNP0519070.1 [1,1,0,0,0,0|2,0,0]=4 479 B6R0.4 C/C=C\S[S@@H+](C)[O-] CNP0550380.2 [1,1,0,0,0,0|2,0,0]=4 480 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,1,0,0,0,0|1,0,1]=4 481 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,1,0,0,0,0|0,0,2]=4 482 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,1,0,0,0,0|1,0,1]=4 483 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,1,0,0,0,0|1,0,0]=3 484 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,1,0,0,0,0|1,0,0]=3 485 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,1,0,0,0,0|2,0,0]=4 486 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,1,0,0,0,0|2,0,0]=4 487 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,1,0,0,0,0|2,0,0]=4 488 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,1,0,0,0,0|2,0,0]=4 489 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,1,0,0,0,0|2,0,0]=4 490 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,1,0,0,0,0|2,0,0]=4 491 B6R0.4 CC(C)C=CC=O CNP0003528.0 [1,1,0,0,0,0|0,0,2]=4 492 B6R0.4 CC(C)CC#CO CNP0482838.0 [1,1,0,0,0,0|0,0,2]=4 493 B6R0.4 CC(C)CC=NO CNP0235743.0 [1,1,0,0,0,0|1,0,0]=3 494 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,1,0,0,0,0|0,0,2]=4 495 B6R0.4 CC(C)CCCO CNP0344466.0 [1,1,0,0,0,0|0,0,1]=3 496 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,1,0,0,0,0|1,0,1]=4 497 B6R0.4 CC(C)COC=O CNP0232692.0 [1,1,0,0,0,0|1,0,1]=4 498 B6R0.4 CC(C)NCCO CNP0141461.0 [1,1,0,0,0,0|1,0,1]=4 499 B6R0.4 CC(C)OCCO CNP0079907.0 [1,1,0,0,0,0|1,0,1]=4 500 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,1,0,0,0,0|0,0,2]=4 501 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,1,0,0,0,0|1,0,1]=4 502 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,1,0,0,0,0|0,0,0]=2 503 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,1,0,0,0,0|0,0,0]=2 504 B6R0.4 CC=CCS(=S)O CNP0514093.0 [1,1,0,0,0,0|2,0,0]=4 505 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|0,0,1]=3 506 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,1,0,0,0,0|0,0,1]=3 507 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|0,0,0]=2 508 B6R0.4 CCCCB(O)O CNP0482760.0 [1,1,0,0,0,0|1,0,1]=4 509 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|0,0,1]=3 510 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,1,0,0,0,0|0,0,2]=4 511 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,1,0,0,0,0|0,0,1]=3 512 B6R0.4 CCCCC(C)C CNP0312749.0 [1,1,0,0,0,0|0,0,2]=4 513 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,1,0,0,0,0|0,0,1]=3 514 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,1,0,0,0,0|0,0,1]=3 515 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,1,0,0,0,0|0,0,1]=3 516 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,1,0,0,0,0|1,0,0]=3 517 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,1,0,0,0,0|1,0,0]=3 518 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,1,0,0,0,0|1,0,0]=3 519 B6R0.4 CCCSC(C)C CNP0228244.0 [1,1,0,0,0,0|1,0,1]=4 520 B6R0.4 CCCSC(C)S CNP0609747.0 [1,1,0,0,0,0|1,0,1]=4 521 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [1,1,0,0,0,0|2,0,0]=4 522 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,1,0,0,0,0|1,0,1]=4 523 B6R0.4 CCNCC(C)C CNP0165310.0 [1,1,0,0,0,0|1,0,1]=4 524 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,1,0,0,0,0|1,0,1]=4 525 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,1,0,0,0,0|1,0,1]=4 526 B6R0.4 CCSCC(C)C CNP0208462.0 [1,1,0,0,0,0|1,0,1]=4 527 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,1,0,0,0,0|1,0,1]=4 528 B6R0.4 CNCCC(C)C CNP0254439.0 [1,1,0,0,0,0|1,0,1]=4 529 B6R0.4 COCC=C(C)C CNP0493784.0 [1,1,0,0,0,0|1,0,0]=3 530 B6R0.4 COCCC(C)C CNP0316382.0 [1,1,0,0,0,0|1,0,1]=4 531 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,1,0,0,0,0|1,0,1]=4 532 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,1,0,0,0,0|1,0,1]=4 533 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,1,0,0,0,0|1,0,1]=4 534 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,1,0,0,0,0|1,0,1]=4 535 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,1,0,0,0,0|2,0,0]=4 536 B6R0.4 C[S@+]([O-])/C=C/CO CNP0531356.1 [1,1,0,0,0,0|1,0,0]=3 537 B6R0.4 C[S@@+]([O-])/C=C/CO CNP0531356.2 [1,1,0,0,0,0|1,0,0]=3 538 B6R0.4 C[S@H+]([O-])/C=C/CO CNP0529781.1 [1,1,0,0,0,0|1,0,0]=3 539 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,1,0,0,0,0|1,0,1]=4 540 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,1,0,0,0,0|1,0,1]=4 541 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,1,0,0,0,0|1,0,1]=4 542 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,1,0,0,0,0|1,0,1]=4 543 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,2,0,0,0,0|2,0,0]=4 544 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,2,0,0,0,0|1,0,1]=4 545 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,2,0,0,0,0|1,1,0]=4 546 B8R0.1 CCCC(S)CCOC CNP0309037.0 [0,2,0,0,0,0|0,0,2]=4 547 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,2,0,0,0,0|1,0,1]=4 548 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,2,0,0,0,0|1,0,1]=4 549 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,2,0,0,0,0|1,0,1]=4 550 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,2,0,0,0,0|0,0,2]=4 551 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,2,0,0,0,0|1,0,1]=4 552 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,2,0,0,0,0|2,0,0]=4 553 B8R0.4 C=CC=CCCCCC CNP0389218.0 [0,2,0,0,0,0|1,0,1]=4 554 B8R0.4 C=CCCCCCCO CNP0610530.0 [0,2,0,0,0,0|0,0,2]=4 555 B8R0.4 CC=CC=CCCCO CNP0492923.0 [0,2,0,0,0,0|0,0,2]=4 556 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [0,2,0,0,0,0|0,0,2]=4 557 B8R0.4 CC=CCCC=CCO CNP0076887.0 [0,2,0,0,0,0|0,0,0]=2 558 B8R0.4 CC=CCCCCCO CNP0534658.0 [0,2,0,0,0,0|0,0,2]=4 559 B8R0.4 CCC=CC=CCCO CNP0339953.0 [0,2,0,0,0,0|0,0,1]=3 560 B8R0.4 CCC=CCC=CCO CNP0338368.0 [0,2,0,0,0,0|0,0,0]=2 561 B8R0.4 CCC=CCCCC=O CNP0002614.0 [0,2,0,0,0,0|1,0,0]=3 562 B8R0.4 CCC=CCCCCC CNP0539420.0 [0,2,0,0,0,0|1,0,0]=3 563 B8R0.4 CCC=CCCCCO CNP0192139.0 [0,2,0,0,0,0|1,0,0]=3 564 B8R0.4 CCC=CCCOC=O CNP0053041.0 [0,2,0,0,0,0|0,0,2]=4 565 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,2,0,0,0,0|0,0,2]=4 566 B8R0.4 CCCC=CC=CCO CNP0175481.0 [0,2,0,0,0,0|0,0,0]=2 567 B8R0.4 CCCC=CCCCC CNP0594829.0 [0,2,0,0,0,0|1,0,0]=3 568 B8R0.4 CCCC=CCCCO CNP0085599.0 [0,2,0,0,0,0|0,0,0]=2 569 B8R0.4 CCCC=CCOC=O CNP0131807.0 [0,2,0,0,0,0|0,0,0]=2 570 B8R0.4 CCCCC=CCC=O CNP0207183.0 [0,2,0,0,0,0|0,0,1]=3 571 B8R0.4 CCCCC=CCCO CNP0221419.0 [0,2,0,0,0,0|0,0,0]=2 572 B8R0.4 CCCCC=COC=O CNP0604660.0 [0,2,0,0,0,0|0,0,2]=4 573 B8R0.4 CCCCCC=CC=O CNP0192932.0 [0,2,0,0,0,0|0,0,2]=4 574 B8R0.4 CCCCCC=CCO CNP0113756.0 [0,2,0,0,0,0|0,0,0]=2 575 B8R0.4 CCCCCCC=CO CNP0605778.0 [0,2,0,0,0,0|0,0,2]=4 576 B8R0.4 CCCCCCC=NO CNP0389770.0 [0,2,0,0,0,0|0,0,2]=4 577 B8R0.4 CCCCCCCCO CNP0368614.0 [0,2,0,0,0,0|0,0,2]=4 578 B8R0.4 CCCCCCCOO CNP0566054.0 [0,2,0,0,0,0|0,0,2]=4 579 B8R0.4 CCCCCCOC=O CNP0086211.0 [0,2,0,0,0,0|0,0,2]=4 580 B8R0.4 CCCCCCOCC CNP0609034.0 [0,2,0,0,0,0|0,0,2]=4 581 B8R0.4 CCCCOCCCO CNP0141373.0 [0,2,0,0,0,0|0,0,2]=4 582 B8R0.4 CCOCCOCCO CNP0079970.0 [0,2,0,0,0,0|0,0,2]=4 583 B8R0.4 COCCOCCOC CNP0466646.0 [0,2,0,0,0,0|1,0,1]=4 584 B8R0.4 CSCCCCC=NO CNP0070910.0 [0,2,0,0,0,0|1,0,1]=4 585 B8R0.4 OCC=C=CC#CCCl CNP0377743.0 [0,2,0,0,0,0|0,0,2]=4 586 B8R0.6 C=C/C=C/C[C@@H](O)CC CNP0111880.1 [0,2,0,0,0,0|1,0,1]=4 587 B8R0.6 C=C[C@@H](O)/C=C/CCC CNP0182495.1 [0,2,0,0,0,0|0,0,0]=2 588 B8R0.6 C=C[C@@H](O)C/C=C/CC CNP0227768.1 [0,2,0,0,0,0|0,0,2]=4 589 B8R0.6 C=C[C@@H](O)C/C=C\CC CNP0227768.2 [0,2,0,0,0,0|0,0,2]=4 590 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [0,2,0,0,0,0|0,0,2]=4 591 B8R0.6 C=C[C@H](O)C/C=C/CC CNP0227768.4 [0,2,0,0,0,0|0,0,2]=4 592 B8R0.6 C=C[C@H](O)C/C=C\CC CNP0227768.3 [0,2,0,0,0,0|0,0,2]=4 593 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [0,2,0,0,0,0|0,0,2]=4 594 B8R0.6 CCC(C)OCCCO CNP0593328.0 [0,2,0,0,0,0|0,0,2]=4 595 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,2,0,0,0,0|1,0,1]=4 596 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,2,0,0,0,0|1,0,0]=3 597 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,2,0,0,0,0|0,0,1]=3 598 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,2,0,0,0,0|0,0,2]=4 599 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,2,0,0,0,0|1,0,1]=4 600 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,2,0,0,0,0|1,0,1]=4 601 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,2,0,0,0,0|0,0,1]=3 602 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,2,0,0,0,0|0,0,2]=4 603 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,2,0,0,0,0|0,0,2]=4 604 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [0,2,0,0,0,0|0,0,2]=4 605 B8R0.6 CCCCNC(=N)NO CNP0535503.0 [0,2,0,0,0,0|1,0,1]=4 606 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,2,0,0,0,0|1,0,1]=4 607 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,2,0,0,0,0|1,0,1]=4 608 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,2,0,0,0,0|1,0,1]=4 609 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,2,0,0,0,0|0,0,2]=4 610 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,2,0,0,0,0|0,0,2]=4 611 B8R0.6 NCCCN=C(N)NO CNP0498181.0 [0,2,0,0,0,0|2,0,0]=4 612 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,2,0,0,0,0|0,0,2]=4 613 B8R0.7 CC(C)CCCCCO CNP0090200.0 [0,2,0,0,0,0|0,0,2]=4 614 B8R0.7 CC(C)OCCCCO CNP0461229.0 [0,2,0,0,0,0|0,0,2]=4 615 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [0,2,0,0,0,0|0,0,1]=3 616 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [0,2,0,0,0,0|1,0,0]=3 617 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,2,0,0,0,0|0,0,2]=4 618 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,2,0,0,0,0|1,0,0]=3 619 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,2,0,0,0,0|1,0,1]=4 620 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,2,0,0,0,0|0,0,2]=4 621 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,2,0,0,0,0|0,0,2]=4 622 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,2,0,0,0,0|0,0,1]=3 623 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [0,2,0,0,0,0|0,0,0]=2 624 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,2,0,0,0,0|0,0,2]=4 625 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,2,0,0,0,0|0,0,2]=4 626 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [0,2,0,0,0,0|0,0,2]=4 627 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [0,2,0,0,0,0|0,0,2]=4 628 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,2,0,0,0,0|0,0,2]=4 629 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,2,0,0,0,0|1,0,1]=4 630 B8R0.7 CCCCOCC(C)O CNP0506345.0 [0,2,0,0,0,0|0,0,2]=4 631 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [0,2,0,0,0,0|1,0,0]=3 632 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,2,0,0,0,0|1,0,1]=4 633 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,2,0,0,0,0|1,0,1]=4 634 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,2,0,0,0,0|2,0,0]=4 635 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,2,0,0,0,0|1,0,1]=4 636 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,2,0,0,0,0|1,0,0]=3 637 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,2,0,0,0,0|1,0,1]=4 638 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,2,0,0,0,0|1,0,1]=4 639 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,2,0,0,0,0|1,0,1]=4 640 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,2,0,0,0,0|2,0,0]=4 641 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,2,0,0,0,0|2,0,0]=4 642 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,2,0,0,0,0|2,0,0]=4 643 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,2,0,0,0,0|1,0,1]=4 644 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,2,0,0,0,0|2,0,0]=4 645 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,2,0,0,0,0|1,0,1]=4 646 B8R0.8 C#C/C=C/[C@H](O)[C@H](C)O CNP0153085.2 [0,2,0,0,0,0|1,0,1]=4 647 B8R0.8 C#C/C=C\[C@H](O)[C@H](C)O CNP0153085.1 [0,2,0,0,0,0|1,0,1]=4 648 B8R0.8 C=C/C=C/[C@@H](O)[C@@H](C)O CNP0429194.1 [0,2,0,0,0,0|1,0,1]=4 649 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,2,0,0,0,0|0,0,2]=4 650 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,2,0,0,0,0|0,0,1]=3 651 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,2,0,0,0,0|0,0,2]=4 652 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,2,0,0,0,0|1,0,1]=4 653 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,2,0,0,0,0|0,0,1]=3 654 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,2,0,0,0,0|0,0,1]=3 655 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,2,0,0,0,0|0,0,2]=4 656 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [0,2,0,0,0,0|2,0,0]=4 657 B8R0.8 C[C@@H](O)[C@@H](O)CCCO CNP0149888.3 [0,2,0,0,0,0|0,0,2]=4 658 B8R0.8 C[C@@H](O)[C@H](O)CCCO CNP0149888.1 [0,2,0,0,0,0|0,0,2]=4 659 B8R0.8 C[C@H](O)[C@@H](O)CCCO CNP0149888.2 [0,2,0,0,0,0|0,0,2]=4 660 B8R0.9 CC(=NO)CCC(C)C CNP0165038.0 [0,2,0,0,0,0|1,0,1]=4 661 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,2,0,0,0,0|0,0,2]=4 662 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,2,0,0,0,0|1,0,1]=4 663 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,2,0,0,0,0|1,0,1]=4 664 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [0,2,0,0,0,0|2,0,0]=4 665 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,2,0,0,0,0|0,0,2]=4 666 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [0,2,0,0,0,0|0,0,2]=4 667 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,2,0,0,0,0|0,0,1]=3 668 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,2,0,0,0,0|0,0,1]=3 669 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,2,0,0,0,0|0,0,1]=3 670 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,2,0,0,0,0|0,0,1]=3 671 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [0,2,0,0,0,0|0,0,2]=4 672 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,2,0,0,0,0|1,0,0]=3 673 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [0,2,0,0,0,0|0,0,2]=4 674 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [0,2,0,0,0,0|0,0,2]=4 675 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [0,2,0,0,0,0|0,0,2]=4 676 B8R0.19 CC=C(C)C=C(C)CO CNP0307713.0 [0,2,0,0,0,0|0,0,2]=4 677 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [0,2,0,0,0,0|1,0,1]=4 678 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,2,0,0,0,0|1,0,1]=4 679 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,2,0,0,0,0|1,0,1]=4 680 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [0,2,0,0,0,0|2,0,0]=4 681 B8R0.19 CCC(C)CC(C)CO CNP0072771.0 [0,2,0,0,0,0|0,0,2]=4 682 B8R0.19 O=C(CO)C[C@@H](O)CO CNP0343552.1 [0,2,0,0,0,0|1,0,1]=4 683 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,2,0,0,0,0|1,0,1]=4 684 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [0,2,0,0,0,0|0,0,2]=4 685 B8R0.5 CC(C)C[C@@H](O)/C=N\O CNP0215536.1 [0,2,0,0,0,0|1,0,1]=4 686 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,2,0,0,0,0|0,0,2]=4 687 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,2,0,0,0,0|0,0,1]=3 688 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,2,0,0,0,0|1,0,1]=4 689 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,2,0,0,0,0|0,0,2]=4 690 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,2,0,0,0,0|1,0,1]=4 691 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,2,0,0,0,0|2,0,0]=4 692 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [0,2,0,0,0,0|0,0,2]=4 693 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,2,0,0,0,0|2,0,0]=4 694 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,2,0,0,0,0|2,0,0]=4 695 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,2,0,0,0,0|2,0,0]=4 696 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,2,0,0,0,0|1,0,1]=4 697 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,2,0,0,0,0|1,0,1]=4 698 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,2,0,0,0,0|0,0,2]=4 699 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [0,2,0,0,0,0|0,0,2]=4 700 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,2,0,0,0,0|0,0,1]=3 701 B8R0.28 CC(O)COCC(C)O CNP0610078.0 [0,2,0,0,0,0|1,0,1]=4 702 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [0,2,0,0,0,0|1,0,0]=3 703 B8R0.22 CCCC(=NO)CCC CNP0366648.0 [0,2,0,0,0,0|1,0,1]=4 704 B8R0.22 CCC[C@@H](CCO)SC CNP0238313.1 [0,2,0,0,0,0|0,0,2]=4 705 B6R1.1 C1=CCC=CC1 CNP0508932.0 [1,0,0,1,0,0|0,0,2]=4 706 B6R1.1 C1=CCCC=C1 CNP0267898.0 [1,0,0,1,0,0|0,0,2]=4 707 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|0,0,0]=2 708 B6R1.1 C1=CCN=CC1 CNP0062927.0 [1,0,0,1,0,0|1,0,1]=4 709 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,1,0,0|1,0,0]=3 710 B6R1.1 C1=CCOC=C1 CNP0513975.0 [1,0,0,1,0,0|0,0,2]=4 711 B6R1.1 C1=CNCCC1 CNP0200592.0 [1,0,0,1,0,0|1,0,0]=3 712 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,1,0,0|0,0,0]=2 713 B6R1.1 C1=CSSCC1 CNP0530429.0 [1,0,0,1,0,0|1,1,0]=4 714 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,1,0,0|1,0,0]=3 715 B6R1.1 C1CCCCC1 CNP0220772.0 [1,0,0,1,0,0|0,0,2]=4 716 B6R1.1 C1CCNCC1 CNP0153358.0 [1,0,0,1,0,0|1,0,1]=4 717 B6R1.1 C1CCOCC1 CNP0484551.0 [1,0,0,1,0,0|0,0,1]=3 718 B6R1.1 C1COCCN1 CNP0167865.0 [1,0,0,1,0,0|1,0,1]=4 719 B6R1.1 C1COCCO1 CNP0353166.0 [1,0,0,1,0,0|1,0,1]=4 720 B6R1.1 C1COCSC1 CNP0517977.0 [1,0,0,1,0,0|1,0,0]=3 721 B6R1.1 C1CSCSC1 CNP0221424.0 [1,0,0,1,0,0|1,1,0]=4 722 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [1,0,0,1,0,0|0,0,1]=3 723 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,1,0,0|0,0,2]=4 724 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,1,0,0|0,0,2]=4 725 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,1,0,0|0,0,2]=4 726 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|0,0,0]=2 727 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,1,0,0|1,0,0]=3 728 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,1,0,0|1,0,0]=3 729 B6R1.2 CC1=CCSS1 CNP0166363.0 [1,0,0,1,0,0|2,0,0]=4 730 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,1,0,0|1,0,0]=3 731 B6R1.2 CC1=CSSC1 CNP0310441.0 [1,0,0,1,0,0|2,0,0]=4 732 B6R1.2 CC1=NCCO1 CNP0601624.0 [1,0,0,1,0,0|2,0,0]=4 733 B6R1.2 CC1=NCCS1 CNP0225264.0 [1,0,0,1,0,0|2,0,0]=4 734 B6R1.2 CC1=NCSC1 CNP0134706.0 [1,0,0,1,0,0|2,0,0]=4 735 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,1,0,0|1,0,1]=4 736 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,1,0,0|0,1,0]=3 737 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,1,0,0|0,0,2]=4 738 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,1,0,0|0,0,1]=3 739 B6R1.2 CC1OCCO1 CNP0611683.0 [1,0,0,1,0,0|1,0,1]=4 740 B6R1.2 CN1CC=CC1 CNP0257888.0 [1,0,0,1,0,0|1,0,0]=3 741 B6R1.2 CN1CCCC1 CNP0395436.0 [1,0,0,1,0,0|1,0,1]=4 742 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,1,0,0|1,0,1]=4 743 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [1,0,0,1,0,0|1,1,0]=4 744 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [1,0,0,1,0,0|1,0,1]=4 745 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [1,0,0,1,0,0|1,0,1]=4 746 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [1,0,0,1,0,0|1,1,0]=4 747 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [1,0,0,1,0,0|1,0,0]=3 748 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|0,0,2]=4 749 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|1,0,1]=4 750 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,1,0,0|1,0,1]=4 751 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|0,0,2]=4 752 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|1,0,1]=4 753 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|1,0,1]=4 754 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|1,0,1]=4 755 B6R1.2 OC1=NCCC1 CNP0485346.0 [1,0,0,1,0,0|1,0,0]=3 756 B6R1.2 OC1=NOCC1 CNP0504784.0 [1,0,0,1,0,0|2,0,0]=4 757 B6R1.2 OC1CCCC1 CNP0085994.0 [1,0,0,1,0,0|0,0,1]=3 758 B6R1.2 SC1CCCC1 CNP0280825.0 [1,0,0,1,0,0|0,1,1]=4 759 B6R1.2 SC1CCCS1 CNP0002503.0 [1,0,0,1,0,0|1,1,0]=4 760 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [1,0,0,1,0,0|1,0,1]=4 761 B6R1.3 CCCC1CC1 CNP0506060.0 [1,0,0,1,0,0|0,0,2]=4 762 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|0,0,2]=4 763 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [1,0,0,1,0,0|1,0,1]=4 764 B6R1.6 OCC1C=CC1 CNP0202846.0 [1,0,0,1,0,0|1,0,0]=3 765 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [1,0,0,1,0,0|0,0,2]=4 766 B6R1.8 O=C1C=C1CO CNP0214079.0 [1,0,0,1,0,0|1,0,1]=4 767 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,1,0,1,0,0|1,0,0]=3 768 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,1,0,1,0,0|1,0,1]=4 769 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,1,0,1,0,0|1,0,0]=3 770 B8R1.2 CC[C@@H]1C=CCSS1 CNP0292362.1 [0,1,0,1,0,0|0,1,0]=3 771 B8R1.2 CC[C@@H]1CC=CSS1 CNP0334028.1 [0,1,0,1,0,0|1,1,0]=4 772 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,1,0,1,0,0|0,0,2]=4 773 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,1,0,1,0,0|0,0,2]=4 775 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,1,0,1,0,0|0,0,2]=4 776 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,1,0,0|0,0,2]=4 777 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [0,1,0,1,0,0|1,0,1]=4 778 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,1,0,1,0,0|0,0,1]=3 779 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,1,0,1,0,0|0,0,0]=2 780 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,1,0,1,0,0|0,0,0]=2 781 B8R1.2 OCC1CCCCN1 CNP0335046.0 [0,1,0,1,0,0|0,0,2]=4 782 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [0,1,0,1,0,0|1,0,0]=3 783 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [0,1,0,1,0,0|0,0,2]=4 784 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [0,1,0,1,0,0|1,0,0]=3 785 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [0,1,0,1,0,0|0,0,2]=4 786 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [0,1,0,1,0,0|0,0,2]=4 787 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [0,1,0,1,0,0|1,0,1]=4 788 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,1,0,1,0,0|1,0,1]=4 789 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [0,1,0,1,0,0|1,0,1]=4 790 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,1,0,1,0,0|0,0,0]=2 791 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,1,0,0|1,0,0]=3 792 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,1,0,0|1,0,1]=4 793 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,1,0,1,0,0|0,0,2]=4 794 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|2,0,0]=4 795 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [0,1,0,1,0,0|0,0,2]=4 796 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [0,1,0,1,0,0|0,0,2]=4 797 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,1,0,0|2,0,0]=4 798 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [0,1,0,1,0,0|0,0,2]=4 799 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [0,1,0,1,0,0|0,0,2]=4 800 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,1,0,0|0,0,1]=3 801 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,1,0,0|0,0,2]=4 802 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,1,0,0|0,0,1]=3 803 B8R1.5 O[C@@H]1C=CC=C[C@@H]1O CNP0314922.2 [0,1,0,1,0,0|0,0,2]=4 804 B8R1.5 O[C@@H]1C=CC=C[C@H]1O CNP0314922.1 [0,1,0,1,0,0|0,0,2]=4 805 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [0,1,0,1,0,0|0,0,2]=4 806 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [0,1,0,1,0,0|0,0,2]=4 807 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [0,1,0,1,0,0|0,0,2]=4 808 B8R1.5 O[C@H]1C=CC=C[C@@H]1O CNP0314922.3 [0,1,0,1,0,0|0,0,2]=4 809 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [0,1,0,1,0,0|0,0,2]=4 810 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,1,0,1,0,0|1,0,0]=3 811 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,1,0,1,0,0|0,0,1]=3 812 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,1,0,1,0,0|0,1,1]=4 813 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [0,1,0,1,0,0|1,0,1]=4 814 B8R1.8 CCCN1OCCO1 CNP0257167.0 [0,1,0,1,0,0|1,0,1]=4 815 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,1,0,1,0,0|0,0,2]=4 816 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [0,1,0,1,0,0|1,0,1]=4 817 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,1,0,1,0,0|0,0,2]=4 818 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,1,0,1,0,0|1,0,0]=3 819 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,1,0,0|1,0,1]=4 820 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,1,0,1,0,0|1,0,1]=4 821 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,1,0,1,0,0|0,1,1]=4 822 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,1,0,1,0,0|0,0,2]=4 823 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,1,0,1,0,0|0,0,2]=4 824 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,1,0,1,0,0|2,0,0]=4 825 B8R1.11 N#CC1=C(CCC1)N CNP0263562.0 [0,1,0,1,0,0|1,0,1]=4 826 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,1,0,0|1,0,1]=4 827 B8R1.11 OC[C@H]1NCC[C@@H]1O CNP0110769.1 [0,1,0,1,0,0|1,0,1]=4 828 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,1,0,1,0,0|2,0,0]=4 829 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,1,0,1,0,0|2,0,0]=4 830 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,1,0,1,0,0|0,0,1]=3 831 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,1,0,1,0,0|1,0,1]=4 832 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,1,0,1,0,0|2,0,0]=4 833 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,1,0,1,0,0|2,0,0]=4 834 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,1,0,1,0,0|2,0,0]=4 835 B8R1.22 O[C@@H]1CNCCOC1 CNP0237299.1 [0,1,0,1,0,0|1,0,1]=4 836 B8R1.36 CCCOCC1CO1 CNP0085753.0 [0,1,0,1,0,0|0,0,2]=4 837 B8R1.49 C1#CCCC=CCC1 CNP0593767.0 [0,1,0,1,0,0|1,0,1]=4 838 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [0,1,0,1,0,0|1,0,1]=4 839 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [0,1,0,1,0,0|1,0,0]=3 840 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,1,0,1,0,0|0,0,2]=4 841 B8R1.1 CC1CCC(O1)CO CNP0511633.0 [0,1,0,1,0,0|0,0,2]=4 842 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,1,0,0|1,0,1]=4 843 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,1,0,0|0,0,2]=4 844 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [0,1,0,1,0,0|0,0,2]=4 845 B8R1.1 CCC1N=CC(S1)C CNP0612180.0 [0,1,0,1,0,0|1,1,0]=4 846 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,1,0,1,0,0|0,0,1]=3 847 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,1,0,0|2,0,0]=4 848 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,1,0,0|2,0,0]=4 849 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [0,1,0,1,0,0|1,0,1]=4 850 B8R1.1 O=C1C=C[C@H](O1)CO CNP0279402.1 [0,1,0,1,0,0|1,0,1]=4 851 B8R1.1 OC[C@H]1CC[C@@H](C1)O CNP0523551.1 [0,1,0,1,0,0|0,0,2]=4 852 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,1,0,0|1,0,1]=4 853 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,1,0,0|0,0,1]=3 854 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [0,1,0,1,0,0|0,0,2]=4 855 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [0,1,0,1,0,0|1,0,1]=4 856 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [0,1,0,1,0,0|1,0,1]=4 857 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,1,0,0|0,0,2]=4 858 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,1,0,0|0,0,2]=4 859 B8R1.50 CC1SC=C(C1S)O CNP0002608.0 [0,1,0,1,0,0|1,1,0]=4 860 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,1,0,0|1,0,0]=3 861 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,1,0,0|2,0,0]=4 862 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,1,0,0|0,0,2]=4 863 B8R1.50 C[C@H]1CC[C@H]([C@@H]1O)O CNP0330167.1 [0,1,0,1,0,0|0,0,2]=4 864 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,1,0,0|2,0,0]=4 865 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,1,0,0|2,0,0]=4 866 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,1,0,0|2,0,0]=4 867 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,1,0,0|2,0,0]=4 868 B8R1.50 O[C@@H]1[C@@H](C=C[C@@H]1O)O CNP0280764.2 [0,1,0,1,0,0|1,0,0]=3 869 B8R1.50 O[C@H]1[C@@H](C=C[C@@H]1O)O CNP0280764.1 [0,1,0,1,0,0|1,0,0]=3 870 B8R1.52 OC[C@]1(CCCO1)O CNP0357577.1 [0,1,0,1,0,0|1,0,1]=4 871 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,1,0,0|0,0,2]=4 872 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,1,0,0|1,0,0]=3 873 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,1,0,1,0,0|0,0,2]=4 874 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,1,0,1,0,0|0,0,2]=4 875 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,1,0,1,0,0|0,0,0]=2 876 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,1,0,0|0,0,2]=4 877 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,1,0,0|2,0,0]=4 878 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,1,0,1,0,0|0,0,1]=3 879 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|1,0,1]=4 880 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|2,0,0]=4 881 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,1,0,1,0,0|0,0,2]=4 882 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,1,0,1,0,0|0,0,2]=4 883 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,1,0,1,0,0|0,0,1]=3 884 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|1,0,1]=4 885 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|2,0,0]=4 886 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,1,0,1,0,0|0,0,2]=4 887 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,1,0,1,0,0|0,0,2]=4 888 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,1,0,1,0,0|1,0,1]=4 889 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,1,0,0|0,0,1]=3 890 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,1,0,1,0,0|1,0,1]=4 891 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,1,0,1,0,0|0,0,2]=4 892 B8R1.7 CC(C)C1OCCO1 CNP0538758.0 [0,1,0,1,0,0|1,0,1]=4 893 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,1,0,1,0,0|0,0,2]=4 894 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [0,1,0,1,0,0|0,0,2]=4 895 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,1,0,1,0,0|0,0,2]=4 896 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,1,0,1,0,0|1,0,1]=4 897 B8R1.19 CC1(CCC[C@@H]1O)C CNP0549501.1 [0,1,0,1,0,0|0,0,2]=4 898 B8R1.19 CC1(CCC[C@H]1O)C CNP0549501.2 [0,1,0,1,0,0|0,0,2]=4 899 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [0,1,0,1,0,0|0,0,2]=4 900 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [0,1,0,1,0,0|0,0,0]=2 901 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [0,1,0,1,0,0|0,0,0]=2 902 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,1,0,1,0,0|1,0,1]=4 903 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,1,0,1,0,0|1,0,0]=3 904 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,1,0,1,0,0|2,0,0]=4 905 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,1,0,1,0,0|1,0,1]=4 906 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,1,0,1,0,0|2,0,0]=4 907 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,1,0,1,0,0|1,0,1]=4 908 B8R1.37 CCCC(C)C1CO1 CNP0076696.0 [0,1,0,1,0,0|0,0,2]=4 909 B8R2.22 C1=C[C@@H]2[C@H]1CCC2 CNP0231312.1 [0,0,0,2,0,0|1,0,0]=3 910 B8R2.34 C1CC2OCC1O2 CNP0611976.0 [0,0,0,2,0,0|1,0,1]=4 911 B8R2.25 C1=CC2OC2C=C1 CNP0472206.0 [0,0,0,2,0,0|0,0,2]=4 912 B8R2.25 C1CCC2OC2C1 CNP0609031.0 [0,0,0,2,0,0|0,0,2]=4 913 B8R2.38 CC1C=CC2C1C2 CNP0482788.0 [0,0,0,2,0,0|1,0,0]=3