0 B8R0.4 C=CC=CCCCCC CNP0389218.0 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.4 C=CCCCCCCC CNP0317850.0 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.4 C=CCCCCCCO CNP0610530.0 [0,0,0,0,0,0|0,0,4]=4 3 B8R0.4 CC=C=CCCCCC CNP0555445.0 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.4 CC=CC=CCCCO CNP0492923.0 [0,0,0,0,0,0|0,0,4]=4 5 B8R0.4 CC=CCCC=CCO CNP0076887.0 [0,0,0,0,0,0|0,0,4]=4 6 B8R0.4 CC=CCCCCCO CNP0534658.0 [0,0,0,0,0,0|0,0,4]=4 7 B8R0.4 CCC=CC=CCCO CNP0339953.0 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.4 CCC=CCC=CCO CNP0338368.0 [0,0,0,0,0,0|0,0,4]=4 9 B8R0.4 CCC=CCCCCC CNP0539420.0 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.4 CCC=CCCCCO CNP0192139.0 [0,0,0,0,0,0|0,0,4]=4 11 B8R0.4 CCCC#CCCCC CNP0399647.0 [0,0,0,0,0,0|1,0,2]=3 12 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,0,0,0,0,0|0,0,4]=4 13 B8R0.4 CCCC=CC=CCO CNP0175481.0 [0,0,0,0,0,0|0,0,2]=2 14 B8R0.4 CCCC=CCCCC CNP0594829.0 [0,0,0,0,0,0|1,0,0]=1 15 B8R0.4 CCCC=CCCCO CNP0085599.0 [0,0,0,0,0,0|0,0,2]=2 16 B8R0.4 CCCC=CCOC=O CNP0131807.0 [0,0,0,0,0,0|3,0,1]=4 17 B8R0.4 CCCCC=CCC=O CNP0207183.0 [0,0,0,0,0,0|0,0,2]=2 18 B8R0.4 CCCCC=CCCO CNP0221419.0 [0,0,0,0,0,0|0,0,0]=0 19 B8R0.4 CCCCC=COC=O CNP0604660.0 [0,0,0,0,0,0|1,0,2]=3 20 B8R0.4 CCCCCC=CC=O CNP0192932.0 [0,0,0,0,0,0|0,0,4]=4 21 B8R0.4 CCCCCC=CCO CNP0113756.0 [0,0,0,0,0,0|0,0,2]=2 22 B8R0.4 CCCCCCC=CO CNP0605778.0 [0,0,0,0,0,0|0,0,4]=4 23 B8R0.4 CCCCCCC=NO CNP0389770.0 [0,0,0,0,0,0|1,0,3]=4 24 B8R0.4 CCCCCCCC#N CNP0112630.0 [0,0,0,0,0,0|1,0,3]=4 25 B8R0.4 CCCCCCCC=O CNP0146292.0 [0,0,0,0,0,0|0,0,4]=4 26 B8R0.4 CCCCCCCCC CNP0402619.0 [0,0,0,0,0,0|1,0,2]=3 27 B8R0.4 CCCCCCCCN CNP0065900.0 [0,0,0,0,0,0|1,0,2]=3 28 B8R0.4 CCCCCCCCO CNP0368614.0 [0,0,0,0,0,0|0,0,2]=2 29 B8R0.4 CCCCCCCNC CNP0216624.0 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.4 CCCCCCCOO CNP0566054.0 [0,0,0,0,0,0|1,0,2]=3 31 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [0,0,0,0,0,0|0,0,4]=4 32 B8R0.4 CCCCCCOCC CNP0609034.0 [0,0,0,0,0,0|2,0,2]=4 33 B8R0.4 CCCCNCCCC CNP0203128.0 [0,0,0,0,0,0|2,0,1]=3 34 B8R0.4 CCCCOCCCC CNP0077266.0 [0,0,0,0,0,0|2,0,1]=3 35 B8R0.4 CCCCOCCCO CNP0141373.0 [0,0,0,0,0,0|1,0,1]=2 36 B8R0.4 CCCCSCCCC CNP0370059.0 [0,0,0,0,0,0|2,0,1]=3 37 B8R0.4 CCCCSSCCC CNP0003137.0 [0,0,0,0,0,0|3,0,0]=3 38 B8R0.4 CCCSSSCCC CNP0085911.0 [0,0,0,0,0,0|4,0,0]=4 39 B8R0.4 CCOCCOCCO CNP0079970.0 [0,0,0,0,0,0|2,0,1]=3 40 B8R0.4 NCCCNCCCN CNP0609056.0 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.4 NCCCOCCCN CNP0453820.0 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.4 OCCSSSCCO CNP0187126.0 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.1 C#CC=CCCCC CNP0076122.0 [1,0,0,0,0,0|0,0,2]=3 44 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,0,0,0,0,0|0,0,2]=3 45 B7R0.1 C=CCCCCCC CNP0246919.0 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.1 C=CCCCCCO CNP0075956.0 [1,0,0,0,0,0|0,0,3]=4 47 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,0,0,0,0|0,0,2]=3 48 B7R0.1 CC=CCC=CCO CNP0168622.0 [1,0,0,0,0,0|0,0,2]=3 49 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,0,0,0,0|0,0,2]=3 50 B7R0.1 CC=CCSCCC CNP0536250.0 [1,0,0,0,0,0|1,0,2]=4 51 B7R0.1 CC=CSSCCC CNP0421889.0 [1,0,0,0,0,0|2,0,1]=4 52 B7R0.1 CCC#CC=CCO CNP0417978.0 [1,0,0,0,0,0|0,0,2]=3 53 B7R0.1 CCC#CCCCC CNP0602501.0 [1,0,0,0,0,0|0,0,2]=3 54 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,0,0,0,0,0|0,0,2]=3 55 B7R0.1 CCC=CC=CCO CNP0332799.0 [1,0,0,0,0,0|0,0,2]=3 56 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,0,0,0,0,0|1,0,1]=3 57 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,0,0,0,0|0,0,0]=1 58 B7R0.1 CCC=CCCCO CNP0003503.0 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.1 CCCC#CCCC CNP0381743.0 [1,0,0,0,0,0|0,0,3]=4 60 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,0,0,0,0,0|0,0,2]=3 61 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,0,0,0,0,0|0,0,2]=3 62 B7R0.1 CCCC=CCCC CNP0541880.0 [1,0,0,0,0,0|1,0,0]=2 63 B7R0.1 CCCC=CCCO CNP0287313.0 [1,0,0,0,0,0|0,0,0]=1 64 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,0,0,0,0,0|0,0,2]=3 65 B7R0.1 CCCCC=CCO CNP0191159.0 [1,0,0,0,0,0|0,0,0]=1 66 B7R0.1 CCCCCCC#N CNP0186663.0 [1,0,0,0,0,0|1,0,2]=4 67 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,0,0,0,0|0,0,3]=4 68 B7R0.1 CCCCCCCC CNP0286567.0 [1,0,0,0,0,0|0,0,2]=3 69 B7R0.1 CCCCCCCN CNP0186919.0 [1,0,0,0,0,0|1,0,1]=3 70 B7R0.1 CCCCCCCO CNP0329737.0 [1,0,0,0,0,0|0,0,1]=2 71 B7R0.1 CCCCCCNC CNP0413437.0 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,0,0,0,0|1,0,1]=3 73 B7R0.1 CCCCCSSC CNP0201479.0 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,0,0,0,0,0|1,1,1]=4 75 B7R0.1 CCCCNCCO CNP0185911.0 [1,0,0,0,0,0|1,0,0]=2 76 B7R0.1 CCCCOCCO CNP0080154.0 [1,0,0,0,0,0|1,0,0]=2 77 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,0,0,0,0,0|1,1,1]=4 78 B7R0.1 CCCSSCCC CNP0328321.0 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.1 CCCSSSCC CNP0094065.0 [1,0,0,0,0,0|3,0,0]=4 80 B7R0.1 CCNCCCCN CNP0107714.0 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.1 CCNCCNCC CNP0103183.0 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.1 CCSCSSCC CNP0079298.0 [1,0,0,0,0,0|3,0,0]=4 83 B7R0.1 CNCCCCCN CNP0390055.0 [1,0,0,0,0,0|2,0,1]=4 84 B7R0.1 COCCOCCO CNP0610336.0 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.1 CSCCCC=NO CNP0610383.0 [1,0,0,0,0,0|2,0,1]=4 86 B7R0.1 NCCCCCCN CNP0230906.0 [1,0,0,0,0,0|2,0,1]=4 87 B7R0.1 NCCCCCCO CNP0568466.0 [1,0,0,0,0,0|1,0,1]=3 88 B7R0.1 NCCCCCNO CNP0455910.0 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.1 NCCCNCCS CNP0050642.0 [1,0,0,0,0,0|2,1,0]=4 90 B7R0.1 OCCCCCCBr CNP0593386.0 [1,0,0,0,0,0|1,0,1]=3 91 B7R0.1 OCCCCCCO CNP0080019.0 [1,0,0,0,0,0|1,0,1]=3 92 B7R0.1 OCCCCCCS CNP0154751.0 [1,0,0,0,0,0|1,0,1]=3 93 B7R0.1 OCCCSCCO CNP0079791.0 [1,0,0,0,0,0|2,0,0]=3 94 B7R0.1 OCCSSCCO CNP0279278.0 [1,0,0,0,0,0|3,0,0]=4 95 B7R0.1 SCCCCCCS CNP0089642.0 [1,0,0,0,0,0|1,1,1]=4 96 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,1,0,0,0,0|0,0,3]=4 97 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,1,0,0,0,0|0,0,3]=4 98 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,1,0,0,0,0|1,0,1]=3 99 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,1,0,0,0,0|0,0,3]=4 100 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [0,1,0,0,0,0|2,0,1]=4 101 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,1,0,0,0,0|0,0,1]=2 102 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [0,1,0,0,0,0|1,0,2]=4 103 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,1,0,0,0,0|0,0,3]=4 104 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,1,0,0,0,0|0,0,3]=4 105 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [0,1,0,0,0,0|1,0,2]=4 106 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,1,0,0,0,0|0,0,2]=3 107 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,1,0,0,0,0|0,0,2]=3 108 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,1,0,0,0,0|1,0,2]=4 109 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,1,0,0,0,0|1,0,2]=4 110 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,1,0,0,0,0|1,0,2]=4 111 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,1,0,0,0,0|2,0,1]=4 112 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,1,0,0,0,0|1,0,1]=3 113 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,1,0,0,0,0|0,0,1]=2 114 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,1,0,0,0,0|2,0,1]=4 115 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [0,1,0,0,0,0|1,0,2]=4 116 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,1,0,0,0,0|1,0,2]=4 117 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [0,1,0,0,0,0|0,0,2]=3 118 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,1,0,0,0,0|2,0,0]=3 119 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [0,1,0,0,0,0|2,0,1]=4 120 B9R0.18 CCCCC(=O)C=CC=O CNP0505457.0 [0,1,0,0,0,0|0,0,3]=4 121 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [0,1,0,0,0,0|1,0,1]=3 122 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [0,1,0,0,0,0|2,0,0]=3 123 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [0,1,0,0,0,0|2,0,1]=4 124 B9R0.18 CCCC[S+]([O-])CCCC CNP0610540.0 [0,1,0,0,0,0|2,0,1]=4 125 B9R0.45 C#CCCC#CCCCC CNP0154366.0 [0,1,0,0,0,0|1,0,2]=4 126 B9R0.45 C#CCCCCCCCC CNP0272182.0 [0,1,0,0,0,0|1,0,2]=4 127 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,1,0,0,0,0|1,0,2]=4 128 B9R0.45 C=CCCCCCCCC CNP0330037.0 [0,1,0,0,0,0|1,0,2]=4 129 B9R0.45 C=CCCCCCCCO CNP0326407.0 [0,1,0,0,0,0|0,0,3]=4 130 B9R0.45 CC#CC#CC=CCCO CNP0218493.0 [0,1,0,0,0,0|0,0,3]=4 131 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [0,1,0,0,0,0|1,0,2]=4 132 B9R0.45 CCC=CCC=CCC=O CNP0146228.0 [0,1,0,0,0,0|0,0,3]=4 133 B9R0.45 CCC=CCC=CCCO CNP0184621.0 [0,1,0,0,0,0|0,0,1]=2 134 B9R0.45 CCC=CCCC=CCO CNP0250471.0 [0,1,0,0,0,0|0,0,3]=4 135 B9R0.45 CCC=CCCCCCC CNP0223572.0 [0,1,0,0,0,0|1,0,2]=4 136 B9R0.45 CCC=CCCCCCO CNP0246173.0 [0,1,0,0,0,0|0,0,3]=4 137 B9R0.45 CCCC#CCCCCC CNP0576219.0 [0,1,0,0,0,0|1,0,2]=4 138 B9R0.45 CCCC=CCCCCC CNP0076954.0 [0,1,0,0,0,0|1,0,0]=2 139 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,1,0,0,0,0|0,0,3]=4 140 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [0,1,0,0,0,0|0,0,1]=2 141 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [0,1,0,0,0,0|0,0,1]=2 142 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [0,1,0,0,0,0|0,0,2]=3 143 B9R0.45 CCCCCC=CCCO CNP0111850.0 [0,1,0,0,0,0|0,0,0]=1 144 B9R0.45 CCCCCCC#CCO CNP0485953.0 [0,1,0,0,0,0|0,0,3]=4 145 B9R0.45 CCCCCCC=CCO CNP0303395.0 [0,1,0,0,0,0|0,0,2]=3 146 B9R0.45 CCCCCCCC=CO CNP0085832.0 [0,1,0,0,0,0|0,0,3]=4 147 B9R0.45 CCCCCCCC=NO CNP0247046.0 [0,1,0,0,0,0|0,0,3]=4 148 B9R0.45 CCCCCCCCC#N CNP0309769.0 [0,1,0,0,0,0|1,0,2]=4 149 B9R0.45 CCCCCCCCC=O CNP0328165.0 [0,1,0,0,0,0|0,0,3]=4 150 B9R0.45 CCCCCCCCCC CNP0279708.0 [0,1,0,0,0,0|1,0,2]=4 151 B9R0.45 CCCCCCCCCI CNP0565198.0 [0,1,0,0,0,0|1,0,2]=4 152 B9R0.45 CCCCCCCCCO CNP0307663.0 [0,1,0,0,0,0|0,0,2]=3 153 B9R0.45 CCCCCCCCOC CNP0305574.0 [0,1,0,0,0,0|0,0,2]=3 154 B9R0.45 CCCCCCCOCC CNP0144632.0 [0,1,0,0,0,0|1,0,2]=4 155 B9R0.45 CCCCCCOCCC CNP0488672.0 [0,1,0,0,0,0|1,0,2]=4 156 B9R0.45 CCCCCOCCCC CNP0134382.0 [0,1,0,0,0,0|1,0,2]=4 157 B9R0.45 CCCCOCCCCO CNP0571704.0 [0,1,0,0,0,0|0,0,2]=3 158 B9R0.45 CCOCCOCCOC CNP0567615.0 [0,1,0,0,0,0|2,0,1]=4 159 B9R0.45 NCCCC=NCCCN CNP0087319.0 [0,1,0,0,0,0|2,0,1]=4 160 B9R0.45 NCCCCCCCCN CNP0462737.0 [0,1,0,0,0,0|1,0,2]=4 161 B9R0.45 NCCCCNCCCN CNP0279184.0 [0,1,0,0,0,0|2,0,1]=4 162 B9R0.45 OCCCCCCCCO CNP0076363.0 [0,1,0,0,0,0|0,0,2]=3 163 B9R0.45 OCCCSSCCCO CNP0182015.0 [0,1,0,0,0,0|2,0,1]=4 164 B9R0.45 OCCOCCOCCO CNP0560711.0 [0,1,0,0,0,0|2,0,1]=4 165 B9R0.45 SCCCCCCCCS CNP0058300.0 [0,1,0,0,0,0|0,1,2]=4 166 B9R0.46 CCC(=O)C=CC=CCO CNP0451824.0 [0,1,0,0,0,0|0,0,3]=4 167 B9R0.46 CCCC#CCC(O)CC CNP0082068.0 [0,1,0,0,0,0|1,0,2]=4 168 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,1,0,0,0,0|2,0,1]=4 169 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [0,1,0,0,0,0|0,0,2]=3 170 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [0,1,0,0,0,0|1,0,2]=4 171 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [0,1,0,0,0,0|1,0,2]=4 172 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [0,1,0,0,0,0|0,0,2]=3 173 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [0,1,0,0,0,0|1,0,2]=4 174 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [0,1,0,0,0,0|0,0,2]=3 175 B9R0.46 NCCCSC[C@H](N)CO CNP0509719.1 [0,1,0,0,0,0|2,0,1]=4 176 B9R1.8 C=CCC1=NCCCC1 CNP0003401.0 [0,0,0,1,0,0|2,0,1]=4 177 B9R1.8 CC#CC1=CCCCC1 CNP0572321.0 [0,0,0,1,0,0|1,0,2]=4 178 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,0,0,1,0,0|1,0,0]=2 179 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,0,0,1,0,0|2,0,0]=3 180 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [0,0,0,1,0,0|1,0,2]=4 181 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [0,0,0,1,0,0|2,0,1]=4 182 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [0,0,0,1,0,0|1,0,2]=4 183 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [0,0,0,1,0,0|1,0,2]=4 184 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [0,0,0,1,0,0|1,0,2]=4 185 B9R1.8 NCCC1CCCCN1 CNP0503669.0 [0,0,0,1,0,0|2,0,1]=4 186 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [0,0,0,1,0,0|0,0,2]=3 187 B9R1.8 OCCN1CCCCC1 CNP0303387.0 [0,0,0,1,0,0|1,0,1]=3 188 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [0,0,0,1,0,0|1,0,1]=3 189 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [0,0,0,1,0,0|1,0,1]=3 190 B9R1.12 CCCCC1=CC=CO1 CNP0200391.0 [0,0,0,1,0,0|0,0,2]=3 191 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [0,0,0,1,0,0|1,0,0]=2 192 B9R1.12 CCCCC1=CN=CO1 CNP0072036.0 [0,0,0,1,0,0|1,0,1]=3 193 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [0,0,0,1,0,0|2,0,1]=4 194 B9R1.12 CCCCC1=CSC=C1 CNP0227765.0 [0,0,0,1,0,0|2,0,1]=4 195 B9R1.12 CCCCC1NCCS1 CNP0050618.0 [0,0,0,1,0,0|1,1,1]=4 196 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [0,0,0,1,0,0|0,0,2]=3 197 B9R1.12 CCCSC1CCCC1 CNP0498612.0 [0,0,0,1,0,0|2,0,1]=4 198 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [0,0,0,1,0,0|1,0,2]=4 199 B9R1.12 CCSCC1=CC=CO1 CNP0025241.0 [0,0,0,1,0,0|1,0,2]=4 200 B9R1.14 CC[C@@H]1CCC=C1CO CNP0229914.1 [0,0,0,1,0,0|0,0,2]=3 201 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [0,0,0,1,0,0|1,0,2]=4 202 B9R1.16 CCCCCC1CC1C CNP0611992.0 [0,0,0,1,0,0|1,0,2]=4 203 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [0,0,0,1,0,0|0,1,2]=4 204 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [0,0,0,1,0,0|1,0,2]=4 205 B9R1.103 C1CCCCCCCC1 CNP0112399.0 [0,0,0,1,0,0|1,0,2]=4 206 B6R0.6 C#CCCCCO CNP0289179.0 [2,0,0,0,0,0|0,0,2]=4 207 B6R0.6 C=CC=CCCC CNP0526826.0 [2,0,0,0,0,0|0,0,2]=4 208 B6R0.6 C=CCCC=CC CNP0426808.0 [2,0,0,0,0,0|0,0,2]=4 209 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|0,0,2]=4 210 B6R0.6 C=CCCCCO CNP0162421.0 [2,0,0,0,0,0|0,0,2]=4 211 B6R0.6 C=COCCCC CNP0077236.0 [2,0,0,0,0,0|1,0,1]=4 212 B6R0.6 CC#CC=CCO CNP0610509.0 [2,0,0,0,0,0|0,0,2]=4 213 B6R0.6 CC#CCCCO CNP0320046.0 [2,0,0,0,0,0|0,0,2]=4 214 B6R0.6 CC=CC=CCC CNP0608489.0 [2,0,0,0,0,0|0,0,2]=4 215 B6R0.6 CC=CC=CCO CNP0292375.0 [2,0,0,0,0,0|0,0,2]=4 216 B6R0.6 CC=CCCC=O CNP0056069.0 [2,0,0,0,0,0|1,0,1]=4 217 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|0,0,0]=2 218 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|1,0,0]=3 219 B6R0.6 CC=CCSCC CNP0575773.0 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.6 CC=CSCCC CNP0320861.0 [2,0,0,0,0,0|1,0,0]=3 221 B6R0.6 CC=CSSCC CNP0418756.0 [2,0,0,0,0,0|2,0,0]=4 222 B6R0.6 CCC#CCCO CNP0170517.0 [2,0,0,0,0,0|0,0,2]=4 223 B6R0.6 CCC=C=CCC CNP0518397.0 [2,0,0,0,0,0|0,0,2]=4 224 B6R0.6 CCC=CCC#N CNP0106706.0 [2,0,0,0,0,0|1,0,1]=4 225 B6R0.6 CCC=CCC=O CNP0227189.0 [2,0,0,0,0,0|0,0,2]=4 226 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|0,0,0]=2 227 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|0,0,0]=2 228 B6R0.6 CCCC#CCO CNP0314465.0 [2,0,0,0,0,0|0,0,2]=4 229 B6R0.6 CCCC=CC=O CNP0263913.0 [2,0,0,0,0,0|0,0,2]=4 230 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|0,0,0]=2 231 B6R0.6 CCCC=CNO CNP0162409.0 [2,0,0,0,0,0|1,0,0]=3 232 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|0,0,0]=2 233 B6R0.6 CCCCC=NO CNP0149695.0 [2,0,0,0,0,0|1,0,0]=3 234 B6R0.6 CCCCCC#N CNP0412353.0 [2,0,0,0,0,0|1,0,1]=4 235 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,0,2]=4 236 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|0,0,1]=3 237 B6R0.6 CCCCCCN CNP0213933.0 [2,0,0,0,0,0|1,0,0]=3 238 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|0,0,0]=2 239 B6R0.6 CCCCCCS CNP0167948.0 [2,0,0,0,0,0|0,1,0]=3 240 B6R0.6 CCCCCC[O-] CNP0579903.0 [2,0,0,0,0,0|0,0,1]=3 241 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|1,0,1]=4 243 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|1,0,1]=4 244 B6R0.6 CCCCCSS CNP0228282.0 [2,0,0,0,0,0|1,1,0]=4 245 B6R0.6 CCCCNC=O CNP0082472.0 [2,0,0,0,0,0|1,0,1]=4 246 B6R0.6 CCCCOC=O CNP0282325.0 [2,0,0,0,0,0|1,0,1]=4 247 B6R0.6 CCCCSSC CNP0532819.0 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.6 CCCNCCC CNP0129820.0 [2,0,0,0,0,0|1,0,1]=4 249 B6R0.6 CCCOCCO CNP0079853.0 [2,0,0,0,0,0|1,0,0]=3 250 B6R0.6 CCCSCCC CNP0173387.0 [2,0,0,0,0,0|1,0,1]=4 251 B6R0.6 CCCSSCC CNP0322971.0 [2,0,0,0,0,0|2,0,0]=4 252 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|1,0,0]=3 253 B6R0.6 CCOCCCS CNP0267296.0 [2,0,0,0,0,0|1,1,0]=4 254 B6R0.6 CCSCCCO CNP0355297.0 [2,0,0,0,0,0|1,0,0]=3 255 B6R0.6 CNCCCCN CNP0157274.0 [2,0,0,0,0,0|2,0,0]=4 256 B6R0.6 COCCCCO CNP0570905.0 [2,0,0,0,0,0|1,0,0]=3 257 B6R0.6 CSCCCCO CNP0002400.0 [2,0,0,0,0,0|1,0,0]=3 258 B6R0.6 NCCCCCN CNP0184259.0 [2,0,0,0,0,0|2,0,0]=4 259 B6R0.6 NCCCCCO CNP0032450.0 [2,0,0,0,0,0|1,0,0]=3 260 B6R0.6 OCCCCCO CNP0201249.0 [2,0,0,0,0,0|1,0,0]=3 261 B6R0.6 OCCNCCO CNP0247543.0 [2,0,0,0,0,0|2,0,0]=4 262 B6R0.6 OCCOCCO CNP0333860.0 [2,0,0,0,0,0|2,0,0]=4 263 B6R0.6 OCCSCCO CNP0335773.0 [2,0,0,0,0,0|2,0,0]=4 264 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,1,0,0,0,0|0,0,1]=3 265 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [1,1,0,0,0,0|0,0,2]=4 266 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [1,1,0,0,0,0|0,0,1]=3 267 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [1,1,0,0,0,0|1,0,0]=3 268 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,1,0,0,0,0|0,0,2]=4 269 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [1,1,0,0,0,0|0,0,2]=4 270 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [1,1,0,0,0,0|1,0,1]=4 271 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [1,1,0,0,0,0|0,0,1]=3 272 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [1,1,0,0,0,0|1,0,1]=4 273 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [1,1,0,0,0,0|2,0,0]=4 274 B8R0.6 C=C/C=C/C[C@@H](O)CC CNP0111880.1 [1,1,0,0,0,0|0,0,2]=4 275 B8R0.6 C=C[C@@H](O)/C=C/CCC CNP0182495.1 [1,1,0,0,0,0|1,0,1]=4 276 B8R0.6 C=C[C@@H](O)C/C=C/CC CNP0227768.1 [1,1,0,0,0,0|0,0,2]=4 277 B8R0.6 C=C[C@@H](O)C/C=C\CC CNP0227768.2 [1,1,0,0,0,0|0,0,2]=4 278 B8R0.6 C=C[C@H](O)C/C=C/CC CNP0227768.4 [1,1,0,0,0,0|0,0,2]=4 279 B8R0.6 C=C[C@H](O)C/C=C\CC CNP0227768.3 [1,1,0,0,0,0|0,0,2]=4 280 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [1,1,0,0,0,0|0,0,2]=4 281 B8R0.6 CCC(C)OCCCO CNP0593328.0 [1,1,0,0,0,0|1,0,1]=4 282 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [1,1,0,0,0,0|1,0,1]=4 283 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [1,1,0,0,0,0|0,0,1]=3 284 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [1,1,0,0,0,0|1,0,1]=4 285 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [1,1,0,0,0,0|0,0,2]=4 286 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [1,1,0,0,0,0|1,0,1]=4 287 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [1,1,0,0,0,0|0,0,1]=3 288 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [1,1,0,0,0,0|0,0,1]=3 289 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,1,0,0,0,0|1,0,1]=4 290 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [1,1,0,0,0,0|1,0,1]=4 291 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [1,1,0,0,0,0|0,0,2]=4 292 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,1,0,0,0,0|0,0,2]=4 293 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [1,1,0,0,0,0|0,0,2]=4 294 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [1,1,0,0,0,0|0,0,1]=3 295 B8R0.6 CCCCNC(=N)NO CNP0535503.0 [1,1,0,0,0,0|2,0,0]=4 296 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [1,1,0,0,0,0|1,0,0]=3 297 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [1,1,0,0,0,0|0,0,1]=3 298 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [1,1,0,0,0,0|0,0,1]=3 299 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,1,0,0,0,0|0,0,2]=4 300 B8R0.7 CC(C)CCCCCO CNP0090200.0 [1,1,0,0,0,0|0,0,1]=3 301 B8R0.7 CC(C)OCCCCO CNP0461229.0 [1,1,0,0,0,0|1,0,1]=4 302 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [1,1,0,0,0,0|0,0,2]=4 303 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [1,1,0,0,0,0|0,0,2]=4 304 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,1,0,0,0,0|0,0,1]=3 305 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [1,1,0,0,0,0|1,0,1]=4 306 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,1,0,0,0,0|1,0,1]=4 307 B8R0.7 CCCCC#CC(C)C CNP0611973.0 [1,1,0,0,0,0|0,0,2]=4 308 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,1,0,0,0,0|0,0,1]=3 309 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,1,0,0,0,0|0,0,1]=3 310 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [1,1,0,0,0,0|0,0,0]=2 311 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,1,0,0,0,0|0,0,2]=4 312 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,1,0,0,0,0|0,0,2]=4 313 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,1,0,0,0,0|0,0,2]=4 314 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,1,0,0,0,0|0,0,2]=4 315 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,1,0,0,0,0|0,0,2]=4 316 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,1,0,0,0,0|0,0,1]=3 317 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,1,0,0,0,0|0,0,2]=4 318 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,1,0,0,0,0|0,0,1]=3 319 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,1,0,0,0,0|1,0,1]=4 320 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,1,0,0,0,0|1,0,1]=4 321 B8R0.7 CCCCOCC(C)O CNP0506345.0 [1,1,0,0,0,0|1,0,0]=3 322 B8R0.7 CCCCSSC(C)C CNP0003138.0 [1,1,0,0,0,0|2,0,0]=4 323 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [1,1,0,0,0,0|1,0,0]=3 324 B10R0.3 C=C(C)CCCC(=C)CCO CNP0253659.0 [0,2,0,0,0,0|0,0,2]=4 325 B10R0.3 C=C(CCO)CCCC(C)C CNP0310766.0 [0,2,0,0,0,0|0,0,1]=3 326 B10R0.3 CC(=CCC=C(C)CCO)C CNP0086431.0 [0,2,0,0,0,0|0,0,2]=4 327 B10R0.3 CC(=CCO)CCCC(C)C CNP0076235.0 [0,2,0,0,0,0|0,0,2]=4 328 B10R0.3 CC(C)CCC[C@@H](C)CCO CNP0232963.2 [0,2,0,0,0,0|0,0,2]=4 329 B10R0.3 CC(C)CCC[C@H](C)CCO CNP0232963.1 [0,2,0,0,0,0|0,0,2]=4 330 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,2,0,0,0,0|2,0,0]=4 331 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,2,0,0,0,0|1,0,1]=4 332 B10R0.3 C[C@H](O)CCC[C@@H](O)CCO CNP0334179.1 [0,2,0,0,0,0|0,0,2]=4 333 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,2,0,0,0,0|0,0,2]=4 334 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,2,0,0,0,0|1,0,0]=3 335 B10R0.4 CCCC=CCCOC(=O)C CNP0002801.0 [0,2,0,0,0,0|1,0,1]=4 336 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [0,2,0,0,0,0|0,0,2]=4 337 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [0,2,0,0,0,0|0,0,2]=4 338 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [0,2,0,0,0,0|0,0,2]=4 339 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,2,0,0,0,0|0,0,1]=3 340 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [0,2,0,0,0,0|0,0,2]=4 341 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,2,0,0,0,0|0,0,2]=4 342 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [0,2,0,0,0,0|0,0,2]=4 343 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [0,2,0,0,0,0|0,0,2]=4 344 B10R0.4 CCCCOCCOC(C)O CNP0572466.0 [0,2,0,0,0,0|1,0,1]=4 345 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,2,0,0,0,0|0,0,2]=4 346 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [0,2,0,0,0,0|2,0,0]=4 347 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [0,2,0,0,0,0|1,0,0]=3 348 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [0,2,0,0,0,0|1,0,0]=3 349 B10R0.6 COCCOC(=O)C[C@@H](C)O CNP0205160.1 [0,2,0,0,0,0|2,0,0]=4 350 B10R0.55 CC(=O)CCC=CC(O)CO CNP0071799.0 [0,2,0,0,0,0|0,0,1]=3 351 B10R0.55 CC(C)CCCCC(C)CO CNP0444832.0 [0,2,0,0,0,0|0,0,2]=4 352 B10R0.55 CCC(C)CCCCC(C)O CNP0367529.0 [0,2,0,0,0,0|0,0,2]=4 353 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,2,0,0,0,0|0,0,2]=4 354 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,2,0,0,0,0|1,0,1]=4 355 B10R0.74 CCCC=CCOC(=O)CC CNP0003460.0 [0,2,0,0,0,0|1,0,1]=4 356 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,2,0,0,0,0|0,0,2]=4 357 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [0,2,0,0,0,0|0,0,2]=4 358 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [0,2,0,0,0,0|0,0,2]=4 359 B10R0.75 CC(O)C(O)C=CC=CCO CNP0071798.0 [0,2,0,0,0,0|0,0,2]=4 360 B10R0.78 CCCCC(=O)NCC(=O)O CNP0078627.0 [0,2,0,0,0,0|1,0,1]=4 361 B10R0.78 CCCCC(=O)OCC(C)C CNP0437103.0 [0,2,0,0,0,0|2,0,0]=4 362 B10R0.97 CC(C)CCCCCC(C)O CNP0127696.0 [0,2,0,0,0,0|0,0,2]=4 363 B10R0.97 CC(O)CCOCCC(C)O CNP0211333.0 [0,2,0,0,0,0|1,0,1]=4 364 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,2,0,0,0,0|0,0,2]=4 365 B10R0.1 CCCC(=O)NCCCCCl CNP0333987.0 [0,2,0,0,0,0|2,0,0]=4 366 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [0,2,0,0,0,0|2,0,0]=4 367 B10R0.1 CCCC=CCC(C)CCC CNP0147977.0 [0,2,0,0,0,0|1,0,0]=3 368 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [0,2,0,0,0,0|1,0,1]=4 369 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,2,0,0,0,0|1,0,1]=4 370 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,2,0,0,0,0|0,0,1]=3 371 B10R0.1 CCCCCC[C@@H](O)CCO CNP0217557.2 [0,2,0,0,0,0|0,0,2]=4 372 B10R0.1 CCCCCC[C@H](O)CCO CNP0217557.1 [0,2,0,0,0,0|0,0,2]=4 373 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,2,0,0,0,0|1,0,1]=4 374 B10R0.2 CCCC(=O)OC(C)CCC CNP0118403.0 [0,2,0,0,0,0|2,0,0]=4 375 B10R0.19 CCCCC(=O)[C@@H](C)CCC CNP0177247.2 [0,2,0,0,0,0|1,0,1]=4 376 B10R0.19 CCCCC(=O)[C@H](C)CCC CNP0177247.1 [0,2,0,0,0,0|1,0,1]=4 377 B10R0.19 N[C@@H](CCO)C(=O)NCCO CNP0123433.1 [0,2,0,0,0,0|2,0,0]=4 378 B10R0.24 CCCCC=C(C=O)CCC CNP0589946.0 [0,2,0,0,0,0|1,0,0]=3 379 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [0,2,0,0,0,0|2,0,0]=4 380 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,2,0,0,0,0|1,0,1]=4 381 B10R0.91 CCCCC(=O)C#CCCO CNP0155413.0 [0,2,0,0,0,0|0,0,1]=3 382 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [0,2,0,0,0,0|0,0,1]=3 383 B10R0.91 CCCCCC(=O)C#CCO CNP0412381.0 [0,2,0,0,0,0|0,0,2]=4 384 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [0,2,0,0,0,0|0,0,1]=3 385 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,2,0,0,0,0|0,0,2]=4 386 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,2,0,0,0,0|1,0,1]=4 387 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,2,0,0,0,0|1,0,1]=4 388 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [0,2,0,0,0,0|1,0,1]=4 389 B10R0.91 CCCCC[C@@H](C)CCCO CNP0181655.1 [0,2,0,0,0,0|0,0,2]=4 390 B10R0.91 CCCCC[C@H](C)CCCO CNP0181655.2 [0,2,0,0,0,0|0,0,2]=4 391 B10R0.91 CCCCOC(=O)CCCC CNP0085853.0 [0,2,0,0,0,0|1,0,1]=4 392 B10R0.91 CCCC[Se]C(=O)CCCC CNP0604167.0 [0,2,0,0,0,0|1,0,1]=4 393 B10R0.91 O=C(CNCCO)NCCO CNP0450726.0 [0,2,0,0,0,0|2,0,0]=4 394 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [0,2,0,0,0,0|2,0,0]=4 395 B10R0.16 CCCCC(=NO)CCCC CNP0565375.0 [0,2,0,0,0,0|1,0,1]=4 396 B10R0.71 C=CCC=CCC=CCCO CNP0018339.0 [0,2,0,0,0,0|0,0,2]=4 397 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [0,2,0,0,0,0|1,0,1]=4 398 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [0,2,0,0,0,0|1,0,0]=3 399 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [0,2,0,0,0,0|0,0,2]=4 400 B10R0.71 CCC#CC=CCCCCC CNP0109430.0 [0,2,0,0,0,0|1,0,1]=4 401 B10R0.71 CCC=CCC=CCCCO CNP0129828.0 [0,2,0,0,0,0|0,0,1]=3 402 B10R0.71 CCC=CCCCC=CCO CNP0166267.0 [0,2,0,0,0,0|0,0,2]=4 403 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [0,2,0,0,0,0|0,0,2]=4 404 B10R0.71 CCCC=CC#CC=CCO CNP0251903.0 [0,2,0,0,0,0|0,0,2]=4 405 B10R0.71 CCCC=CCCCCC=O CNP0001519.0 [0,2,0,0,0,0|1,0,0]=3 406 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [0,2,0,0,0,0|1,0,0]=3 407 B10R0.71 CCCC=CCOCCCC CNP0076694.0 [0,2,0,0,0,0|1,0,0]=3 408 B10R0.71 CCCCC=CCCCC=O CNP0003436.0 [0,2,0,0,0,0|0,0,1]=3 409 B10R0.71 CCCCC=CCCCCC CNP0245948.0 [0,2,0,0,0,0|1,0,0]=3 410 B10R0.71 CCCCC=CCCCCO CNP0201281.0 [0,2,0,0,0,0|0,0,0]=2 411 B10R0.71 CCCCCC=CC=CCO CNP0002926.0 [0,2,0,0,0,0|0,0,1]=3 412 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [0,2,0,0,0,0|0,0,1]=3 413 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [0,2,0,0,0,0|0,0,0]=2 414 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [0,2,0,0,0,0|0,0,0]=2 415 B10R0.71 CCCCCCCC#CCO CNP0354632.0 [0,2,0,0,0,0|0,0,2]=4 416 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [0,2,0,0,0,0|0,0,2]=4 417 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [0,2,0,0,0,0|0,0,2]=4 418 B10R0.71 CCCCCCCCCCO CNP0305576.0 [0,2,0,0,0,0|0,0,2]=4 419 B10R0.71 CCCCCCCCCOC CNP0246631.0 [0,2,0,0,0,0|0,0,2]=4 420 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [0,2,0,0,0,0|0,0,2]=4 421 B10R0.71 CCCCCCCCOCC CNP0319929.0 [0,2,0,0,0,0|0,0,2]=4 422 B10R0.71 CCCCOCCOCCO CNP0079968.0 [0,2,0,0,0,0|0,0,2]=4 423 B10R0.71 COCCOCCOCCO CNP0413334.0 [0,2,0,0,0,0|1,0,1]=4 424 B10R0.71 OCCCCCCCCCO CNP0496013.0 [0,2,0,0,0,0|0,0,2]=4 425 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [1,0,0,1,0,0|1,0,0]=3 426 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [1,0,0,1,0,0|0,0,2]=4 427 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|0,0,0]=2 428 B8R1.2 CCC1CCCCC1 CNP0300322.0 [1,0,0,1,0,0|0,0,2]=4 429 B8R1.2 CC[C@@H]1C=CCSS1 CNP0292362.1 [1,0,0,1,0,0|1,1,0]=4 430 B8R1.2 CC[C@@H]1CC=CSS1 CNP0334028.1 [1,0,0,1,0,0|1,1,0]=4 431 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [1,0,0,1,0,0|0,0,1]=3 432 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,0,0,1,0,0|1,0,0]=3 433 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [1,0,0,1,0,0|0,0,1]=3 434 B8R1.2 COC1=CCCCC1 CNP0354574.0 [1,0,0,1,0,0|1,0,0]=3 435 B8R1.2 NCC1CCCCC1 CNP0581484.0 [1,0,0,1,0,0|1,0,1]=4 436 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [1,0,0,1,0,0|0,0,2]=4 437 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [1,0,0,1,0,0|1,0,1]=4 438 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [1,0,0,1,0,0|0,0,2]=4 439 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [1,0,0,1,0,0|0,0,0]=2 440 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [1,0,0,1,0,0|0,0,0]=2 441 B8R1.2 OCC1CCCCN1 CNP0335046.0 [1,0,0,1,0,0|1,0,0]=3 442 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [1,0,0,1,0,0|1,0,0]=3 443 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [1,0,0,1,0,0|1,0,1]=4 444 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [1,0,0,1,0,0|1,0,0]=3 445 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [1,0,0,1,0,0|1,0,0]=3 446 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [1,0,0,1,0,0|1,0,1]=4 447 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [1,0,0,1,0,0|1,0,1]=4 448 B8R1.5 CC1CCCCC1O CNP0610101.0 [1,0,0,1,0,0|0,0,1]=3 449 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [1,0,0,1,0,0|0,0,2]=4 450 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [1,0,0,1,0,0|0,0,2]=4 451 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [1,0,0,1,0,0|1,0,1]=4 452 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [1,0,0,1,0,0|1,0,1]=4 453 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [1,0,0,1,0,0|1,0,1]=4 454 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [1,0,0,1,0,0|1,0,1]=4 455 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [1,0,0,1,0,0|1,0,1]=4 456 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [1,0,0,1,0,0|1,0,1]=4 457 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [1,0,0,1,0,0|1,0,1]=4 458 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [1,0,0,1,0,0|1,0,1]=4 459 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [1,0,0,1,0,0|0,0,0]=2 460 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,1,0,0|0,0,2]=4 461 B8R1.8 CCCC1CCCC1 CNP0271421.0 [1,0,0,1,0,0|0,0,2]=4 462 B8R1.8 CCCC1CCSS1 CNP0313862.0 [1,0,0,1,0,0|2,0,0]=4 463 B8R1.8 CCCC1NCCS1 CNP0002551.0 [1,0,0,1,0,0|1,1,0]=4 464 B8R1.8 CCCN1OCCO1 CNP0257167.0 [1,0,0,1,0,0|2,0,0]=4 465 B8R1.10 CCCCC1CCC1 CNP0281769.0 [1,0,0,1,0,0|0,0,2]=4 466 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [1,0,0,1,0,0|0,0,2]=4 467 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [1,0,0,1,0,0|1,0,1]=4 468 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [1,0,0,1,0,0|0,0,2]=4 469 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [1,0,0,1,0,0|0,0,2]=4 470 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [1,0,0,1,0,0|0,0,2]=4 471 B8R1.11 OC[C@H]1NCC[C@@H]1O CNP0110769.1 [1,0,0,1,0,0|2,0,0]=4 472 B8R1.22 CC1CCCCCC1 CNP0214318.0 [1,0,0,1,0,0|0,0,2]=4 473 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [1,0,0,1,0,0|0,0,2]=4 474 B8R1.22 O[C@@H]1CNCCOC1 CNP0237299.1 [1,0,0,1,0,0|2,0,0]=4 475 B8R1.36 CCCCCC1CC1 CNP0610547.0 [1,0,0,1,0,0|0,0,2]=4 476 B8R1.36 CCCOCC1CO1 CNP0085753.0 [1,0,0,1,0,0|1,0,1]=4 477 B8R1.49 C1#CCCC=CCC1 CNP0593767.0 [1,0,0,1,0,0|0,0,2]=4 478 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [1,0,0,1,0,0|0,0,2]=4 479 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|0,0,0]=2 480 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,1,0,1,0,0|2,0,0]=4 481 B10R1.16 CCCCC1=CC(=CO1)C CNP0574167.0 [0,1,0,1,0,0|0,0,2]=4 482 B10R1.18 CC(C)CC1C=CCCC1 CNP0511862.0 [0,1,0,1,0,0|1,0,0]=3 483 B10R1.18 C[C@@H](O)C[C@H]1CCCCN1 CNP0333410.2 [0,1,0,1,0,0|1,0,1]=4 484 B10R1.18 C[C@H](O)C[C@@H]1CCCCN1 CNP0333410.3 [0,1,0,1,0,0|1,0,1]=4 485 B10R1.18 C[C@H](O)C[C@H]1CCCCN1 CNP0333410.1 [0,1,0,1,0,0|1,0,1]=4 486 B10R1.61 CC(C)[C@@H]1CCCC[C@@H]1O CNP0289802.3 [0,1,0,1,0,0|0,0,2]=4 487 B10R1.61 CC(C)[C@@H]1CCCC[C@H]1O CNP0289802.4 [0,1,0,1,0,0|0,0,2]=4 488 B10R1.61 CC(C)[C@H]1CCCC[C@@H]1O CNP0289802.2 [0,1,0,1,0,0|0,0,2]=4 489 B10R1.61 CC(C)[C@H]1CCCC[C@H]1O CNP0289802.1 [0,1,0,1,0,0|0,0,2]=4 490 B10R1.66 CC(C)CCC1=CCCC1 CNP0084867.0 [0,1,0,1,0,0|1,0,0]=3 491 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,1,0,1,0,0|0,0,1]=3 492 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,1,0,1,0,0|1,0,1]=4 493 B10R1.21 C=CCCC=C1CCCC1 CNP0519734.0 [0,1,0,1,0,0|1,0,0]=3 494 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [0,1,0,1,0,0|0,0,2]=4 495 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [0,1,0,1,0,0|1,0,1]=4 496 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,1,0,1,0,0|1,0,0]=3 497 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,1,0,1,0,0|1,0,0]=3 498 B10R1.29 OCCC[C@@H]1NCC[C@H]1O CNP0068200.1 [0,1,0,1,0,0|1,0,1]=4 499 B10R1.79 CC1=CCCC(=CCC1)C CNP0612141.0 [0,1,0,1,0,0|1,0,1]=4 500 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [0,1,0,1,0,0|2,0,0]=4 501 B10R1.4 C[C@@H]1COCC[C@@H]1CCO CNP0154189.2 [0,1,0,1,0,0|0,0,2]=4 502 B10R1.4 C[C@@H]1COCC[C@H]1CCO CNP0154189.4 [0,1,0,1,0,0|0,0,2]=4 503 B10R1.4 C[C@H]1COCC[C@@H]1CCO CNP0154189.1 [0,1,0,1,0,0|0,0,2]=4 504 B10R1.4 C[C@H]1COCC[C@H]1CCO CNP0154189.3 [0,1,0,1,0,0|0,0,2]=4 505 B10R1.17 CCCC=C1CCCCC1 CNP0297291.0 [0,1,0,1,0,0|1,0,0]=3 506 B10R1.17 CCCCC1=CCCCC1 CNP0080623.0 [0,1,0,1,0,0|1,0,0]=3 507 B10R1.17 CCCCC1=NCCCC1 CNP0257195.0 [0,1,0,1,0,0|1,0,1]=4 508 B10R1.332 O=C1CCC(C(CO1)O)O CNP0245181.0 [0,1,0,1,0,0|2,0,0]=4 509 B10R1.161 OCC1CCCCCCC1 CNP0085931.0 [0,1,0,1,0,0|0,0,2]=4 510 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [0,1,0,1,0,0|1,0,0]=3 511 B10R1.2 OCC1OC=CC(C1O)O CNP0208866.0 [0,1,0,1,0,0|2,0,0]=4 512 B10R2.7 C1=CC2CCCCC2C1 CNP0590216.0 [0,0,0,2,0,0|1,0,0]=3 513 B10R2.7 C1=CCC2CC=CC2C1 CNP0580009.0 [0,0,0,2,0,0|1,0,1]=4 514 B10R2.62 O[C@@H]1C[C@H]2C=C[C@@H]1CC2 CNP0395567.1 [0,0,0,2,0,0|0,0,2]=4 515 B10R2.32 C[C@H]1CCN2[C@@H]1C=CC2 CNP0320445.1 [0,0,0,2,0,0|2,0,0]=4