0 B7R0.1 C#CC=CCCCC CNP0076122.0 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C=CCCCCCC CNP0246919.0 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.1 C=CCCCCCO CNP0075956.0 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.1 C=CCSSCCC CNP0170059.0 [0,0,0,0,0,0|2,1,1]=4 5 B7R0.1 CC=CCC=CCO CNP0168622.0 [0,0,0,0,0,0|1,0,3]=4 6 B7R0.1 CC=CCCCCC CNP0199237.0 [0,0,0,0,0,0|2,0,2]=4 7 B7R0.1 CC=CCSCCC CNP0536250.0 [0,0,0,0,0,0|1,1,2]=4 8 B7R0.1 CCC#CC=CCO CNP0417978.0 [0,0,0,0,0,0|1,0,3]=4 9 B7R0.1 CCC#CCCCC CNP0602501.0 [0,0,0,0,0,0|2,0,1]=3 10 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,0,0,0,0,0|1,0,3]=4 11 B7R0.1 CCC=CCCCC CNP0084702.0 [0,0,0,0,0,0|2,0,1]=3 12 B7R0.1 CCC=CCCCO CNP0003503.0 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.1 CCCC#CCCC CNP0381743.0 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,0,0,0,0,0|1,0,3]=4 15 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,0,0,0,0,0|1,0,3]=4 16 B7R0.1 CCCC=CCCC CNP0541880.0 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.1 CCCC=CCCO CNP0287313.0 [0,0,0,0,0,0|1,0,1]=2 18 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,0,0,0,0,0|1,0,3]=4 19 B7R0.1 CCCCC=CCO CNP0191159.0 [0,0,0,0,0,0|1,0,1]=2 20 B7R0.1 CCCCCCC#N CNP0186663.0 [0,0,0,0,0,0|2,0,1]=3 21 B7R0.1 CCCCCCC=O CNP0243745.0 [0,0,0,0,0,0|1,0,2]=3 22 B7R0.1 CCCCCCCC CNP0286567.0 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.1 CCCCCCCN CNP0186919.0 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.1 CCCCCCCO CNP0329737.0 [0,0,0,0,0,0|1,0,0]=1 25 B7R0.1 CCCCCCNC CNP0413437.0 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.1 CCCCCN=C=S CNP0391667.0 [0,0,0,0,0,0|2,1,1]=4 27 B7R0.1 CCCCCOC=O CNP0294368.0 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.1 CCCCCOCC CNP0520137.0 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.1 CCCCCON=O CNP0511882.0 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.1 CCCCCSSC CNP0201479.0 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.1 CCCCN=CC=S CNP0423600.0 [0,0,0,0,0,0|1,1,2]=4 32 B7R0.1 CCCCNCCO CNP0185911.0 [0,0,0,0,0,0|1,0,0]=1 33 B7R0.1 CCCCOCCO CNP0080154.0 [0,0,0,0,0,0|0,0,0]=0 34 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [0,0,0,0,0,0|1,1,2]=4 35 B7R0.1 CCCSSCCC CNP0328321.0 [0,0,0,0,0,0|2,1,0]=3 36 B7R0.1 CCCSSSCC CNP0094065.0 [0,0,0,0,0,0|3,1,0]=4 37 B7R0.1 CCNCCCCN CNP0107714.0 [0,0,0,0,0,0|3,0,0]=3 38 B7R0.1 CCNCCNCC CNP0103183.0 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.1 CCSCSSCC CNP0079298.0 [0,0,0,0,0,0|3,1,0]=4 40 B7R0.1 CNCCCCCN CNP0390055.0 [0,0,0,0,0,0|3,0,0]=3 41 B7R0.1 CNCCCCNC CNP0145070.0 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.1 COCCOCCO CNP0610336.0 [0,0,0,0,0,0|1,0,0]=1 43 B7R0.1 CSCCCC=NO CNP0610383.0 [0,0,0,0,0,0|3,0,1]=4 44 B7R0.1 CSCCCCC#N CNP0183103.0 [0,0,0,0,0,0|3,0,1]=4 45 B7R0.1 NCCCCCCN CNP0230906.0 [0,0,0,0,0,0|3,0,0]=3 46 B7R0.1 NCCCCCCO CNP0568466.0 [0,0,0,0,0,0|2,0,0]=2 47 B7R0.1 NCCCCCNO CNP0455910.0 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.1 NCCCNCCS CNP0050642.0 [0,0,0,0,0,0|2,1,0]=3 49 B7R0.1 NCCSSCCN CNP0340186.0 [0,0,0,0,0,0|3,1,0]=4 50 B7R0.1 OCCCCCCBr CNP0593386.0 [0,0,0,0,0,0|2,0,0]=2 51 B7R0.1 OCCCCCCO CNP0080019.0 [0,0,0,0,0,0|2,0,0]=2 52 B7R0.1 OCCCCCCS CNP0154751.0 [0,0,0,0,0,0|2,0,0]=2 53 B7R0.1 OCCCCN=C=S CNP0611896.0 [0,0,0,0,0,0|3,0,1]=4 54 B7R0.1 OCCCSCCO CNP0079791.0 [0,0,0,0,0,0|1,1,0]=2 55 B7R0.1 OCCSSCCO CNP0279278.0 [0,0,0,0,0,0|2,1,0]=3 56 B7R0.1 SCCCCCCS CNP0089642.0 [0,0,0,0,0,0|2,1,0]=3 57 B7R0.1 [CH2-]CCCCCC#[O+] CNP0489135.0 [0,0,0,0,0,0|1,0,3]=4 58 B6R0.6 C#CCCCCO CNP0289179.0 [1,0,0,0,0,0|0,0,2]=3 59 B6R0.6 C=CCCCCC CNP0226691.0 [1,0,0,0,0,0|1,0,1]=3 60 B6R0.6 C=CCCCCO CNP0162421.0 [1,0,0,0,0,0|0,0,2]=3 61 B6R0.6 C=CCOCCO CNP0248950.0 [1,0,0,0,0,0|0,0,2]=3 62 B6R0.6 C=CCSCCC CNP0150756.0 [1,0,0,0,0,0|1,1,1]=4 63 B6R0.6 C=COCCCC CNP0077236.0 [1,0,0,0,0,0|0,0,2]=3 64 B6R0.6 CC#CCCCO CNP0320046.0 [1,0,0,0,0,0|0,0,2]=3 65 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|1,0,1]=3 66 B6R0.6 CC=CCCCO CNP0309139.0 [1,0,0,0,0,0|0,0,2]=3 67 B6R0.6 CC=CCSCC CNP0575773.0 [1,0,0,0,0,0|0,1,2]=4 68 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.6 CCC#CCCO CNP0170517.0 [1,0,0,0,0,0|0,0,2]=3 70 B6R0.6 CCC=C=CCC CNP0518397.0 [1,0,0,0,0,0|1,0,2]=4 71 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,0,0,0,0|1,0,1]=3 72 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,0,0,0,0|0,0,2]=3 73 B6R0.6 CCCC#CCO CNP0314465.0 [1,0,0,0,0,0|0,0,2]=3 74 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,0,0,0,0|0,0,2]=3 75 B6R0.6 CCCC=CNO CNP0162409.0 [1,0,0,0,0,0|1,0,2]=4 76 B6R0.6 CCCCC=CO CNP0511187.0 [1,0,0,0,0,0|0,0,2]=3 77 B6R0.6 CCCCC=NO CNP0149695.0 [1,0,0,0,0,0|1,0,1]=3 78 B6R0.6 CCCCCC#N CNP0412353.0 [1,0,0,0,0,0|1,0,1]=3 79 B6R0.6 CCCCCC=O CNP0304790.0 [1,0,0,0,0,0|0,0,2]=3 80 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|1,0,0]=2 81 B6R0.6 CCCCCCN CNP0213933.0 [1,0,0,0,0,0|1,0,0]=2 82 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|0,0,0]=1 83 B6R0.6 CCCCCCS CNP0167948.0 [1,0,0,0,0,0|0,1,0]=2 84 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,0,0,0,0|0,0,1]=2 85 B6R0.6 CCCCCNC CNP0276164.0 [1,0,0,0,0,0|2,0,0]=3 86 B6R0.6 CCCCCOC CNP0358174.0 [1,0,0,0,0,0|2,0,0]=3 87 B6R0.6 CCCCCSC CNP0293012.0 [1,0,0,0,0,0|2,0,0]=3 88 B6R0.6 CCCCCSS CNP0228282.0 [1,0,0,0,0,0|1,1,0]=3 89 B6R0.6 CCCCN=C=S CNP0328773.0 [1,0,0,0,0,0|1,1,1]=4 90 B6R0.6 CCCCNC=O CNP0082472.0 [1,0,0,0,0,0|1,0,2]=4 91 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,0,0,0,0|0,0,2]=3 92 B6R0.6 CCCCON=O CNP0003508.0 [1,0,0,0,0,0|1,0,1]=3 93 B6R0.6 CCCCSSC CNP0532819.0 [1,0,0,0,0,0|1,1,0]=3 94 B6R0.6 CCCNCCC CNP0129820.0 [1,0,0,0,0,0|2,0,0]=3 95 B6R0.6 CCCOCCO CNP0079853.0 [1,0,0,0,0,0|0,0,0]=1 96 B6R0.6 CCCSCCC CNP0173387.0 [1,0,0,0,0,0|1,1,0]=3 97 B6R0.6 CCCSSCC CNP0322971.0 [1,0,0,0,0,0|1,1,0]=3 98 B6R0.6 CCCSSSC CNP0104471.0 [1,0,0,0,0,0|2,1,0]=4 99 B6R0.6 CCOCCCO CNP0304052.0 [1,0,0,0,0,0|1,0,0]=2 100 B6R0.6 CCOCCCS CNP0267296.0 [1,0,0,0,0,0|1,0,0]=2 101 B6R0.6 CCSCCCO CNP0355297.0 [1,0,0,0,0,0|1,0,0]=2 102 B6R0.6 CCSSCSC CNP0003140.0 [1,0,0,0,0,0|2,1,0]=4 103 B6R0.6 CCSSSCC CNP0196220.0 [1,0,0,0,0,0|2,1,0]=4 104 B6R0.6 CNCCCCN CNP0157274.0 [1,0,0,0,0,0|2,0,0]=3 105 B6R0.6 COCC#CCO CNP0527985.0 [1,0,0,0,0,0|1,0,2]=4 106 B6R0.6 COCCCCO CNP0570905.0 [1,0,0,0,0,0|1,0,0]=2 107 B6R0.6 CSCCCC#N CNP0286857.0 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.6 CSCCCC=O CNP0002814.0 [1,0,0,0,0,0|1,0,2]=4 109 B6R0.6 CSCCCCO CNP0002400.0 [1,0,0,0,0,0|1,0,0]=2 110 B6R0.6 CSCCCN=S CNP0092190.0 [1,0,0,0,0,0|2,1,0]=4 111 B6R0.6 ClCCOCCCl CNP0082891.0 [1,0,0,0,0,0|2,0,0]=3 112 B6R0.6 NCCCCC=O CNP0083786.0 [1,0,0,0,0,0|1,0,2]=4 113 B6R0.6 NCCCCCN CNP0184259.0 [1,0,0,0,0,0|2,0,0]=3 114 B6R0.6 NCCCCCO CNP0032450.0 [1,0,0,0,0,0|1,0,0]=2 115 B6R0.6 NCCOCCN CNP0447264.0 [1,0,0,0,0,0|2,0,0]=3 116 B6R0.6 OCCCCCO CNP0201249.0 [1,0,0,0,0,0|1,0,0]=2 117 B6R0.6 OCCCN=C=S CNP0612043.0 [1,0,0,0,0,0|2,0,1]=4 118 B6R0.6 OCCNCCO CNP0247543.0 [1,0,0,0,0,0|2,0,0]=3 119 B6R0.6 OCCOCCO CNP0333860.0 [1,0,0,0,0,0|1,0,0]=2 120 B6R0.6 OCCSCCO CNP0335773.0 [1,0,0,0,0,0|1,1,0]=3 121 B6R0.6 [CH2-]CCCCC#[O+] CNP0596536.0 [1,0,0,0,0,0|0,0,3]=4 122 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,1,0,0,0,0|1,0,2]=4 126 B8R0.1 C=CCOS(=S)CCC CNP0539832.0 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,1,0,0,0,0|2,0,1]=4 128 B8R0.1 CCCC(S)CCOC CNP0309037.0 [0,1,0,0,0,0|3,0,0]=4 129 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,1,0,0,0,0|2,0,0]=3 130 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,1,0,0,0,0|3,0,0]=4 131 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,1,0,0,0,0|2,0,0]=3 133 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.1 CCCOC(C)OCC CNP0154058.0 [0,1,0,0,0,0|2,0,0]=3 135 B8R0.1 CCCS[S+]([O-])CCC CNP0505813.0 [0,1,0,0,0,0|2,1,0]=4 136 B8R0.1 CCCS[S@+]([O-])CCC CNP0505813.1 [0,1,0,0,0,0|2,1,0]=4 137 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,1,0,0,0,0|1,0,0]=2 138 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,1,0,0,0,0|2,0,1]=4 139 B8R0.4 C=CCCCCCCC CNP0317850.0 [0,1,0,0,0,0|2,0,0]=3 140 B8R0.4 C=CCCCCCCO CNP0610530.0 [0,1,0,0,0,0|1,0,1]=3 141 B8R0.4 CC#CCCCCCC CNP0610539.0 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.4 CC=CCCC=CCO CNP0076887.0 [0,1,0,0,0,0|1,0,2]=4 143 B8R0.4 CC=CCCCCCC CNP0241269.0 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.4 CC=CCCCCCO CNP0534658.0 [0,1,0,0,0,0|1,0,1]=3 145 B8R0.4 CCC=CC=CCCO CNP0339953.0 [0,1,0,0,0,0|1,0,2]=4 146 B8R0.4 CCC=CCC=CCO CNP0338368.0 [0,1,0,0,0,0|1,0,2]=4 147 B8R0.4 CCC=CCCCCC CNP0539420.0 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.4 CCC=CCCCCO CNP0192139.0 [0,1,0,0,0,0|1,0,1]=3 149 B8R0.4 CCCC#CCCCC CNP0399647.0 [0,1,0,0,0,0|2,0,0]=3 150 B8R0.4 CCCC=CC=CCO CNP0175481.0 [0,1,0,0,0,0|1,0,2]=4 151 B8R0.4 CCCC=CCCCC CNP0594829.0 [0,1,0,0,0,0|2,0,0]=3 152 B8R0.4 CCCC=CCCCO CNP0085599.0 [0,1,0,0,0,0|1,0,1]=3 153 B8R0.4 CCCCC=CCC=O CNP0207183.0 [0,1,0,0,0,0|1,0,2]=4 154 B8R0.4 CCCCC=CCCO CNP0221419.0 [0,1,0,0,0,0|1,0,0]=2 155 B8R0.4 CCCCCC=CCO CNP0113756.0 [0,1,0,0,0,0|1,0,1]=3 156 B8R0.4 CCCCCCC=CO CNP0605778.0 [0,1,0,0,0,0|1,0,1]=3 157 B8R0.4 CCCCCCC=NO CNP0389770.0 [0,1,0,0,0,0|1,0,1]=3 158 B8R0.4 CCCCCCCC#N CNP0112630.0 [0,1,0,0,0,0|2,0,0]=3 159 B8R0.4 CCCCCCCC=O CNP0146292.0 [0,1,0,0,0,0|1,0,1]=3 160 B8R0.4 CCCCCCCCC CNP0402619.0 [0,1,0,0,0,0|2,0,0]=3 161 B8R0.4 CCCCCCCCN CNP0065900.0 [0,1,0,0,0,0|2,0,0]=3 162 B8R0.4 CCCCCCCCO CNP0368614.0 [0,1,0,0,0,0|1,0,0]=2 163 B8R0.4 CCCCCCCNC CNP0216624.0 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.4 CCCCCCCOO CNP0566054.0 [0,1,0,0,0,0|1,0,0]=2 165 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [0,1,0,0,0,0|1,0,1]=3 166 B8R0.4 CCCCCCN=C=S CNP0253332.0 [0,1,0,0,0,0|1,1,1]=4 167 B8R0.4 CCCCCCOC=O CNP0086211.0 [0,1,0,0,0,0|1,0,2]=4 168 B8R0.4 CCCCCCOCC CNP0609034.0 [0,1,0,0,0,0|2,0,0]=3 169 B8R0.4 CCCCCCSSC CNP0510251.0 [0,1,0,0,0,0|2,1,0]=4 170 B8R0.4 CCCCNCCCC CNP0203128.0 [0,1,0,0,0,0|2,0,0]=3 171 B8R0.4 CCCCOCCCC CNP0077266.0 [0,1,0,0,0,0|1,0,0]=2 172 B8R0.4 CCCCOCCCO CNP0141373.0 [0,1,0,0,0,0|0,0,0]=1 173 B8R0.4 CCCCSCCCC CNP0370059.0 [0,1,0,0,0,0|1,1,0]=3 174 B8R0.4 CCCCSSCCC CNP0003137.0 [0,1,0,0,0,0|1,1,0]=3 175 B8R0.4 CCCSSSCCC CNP0085911.0 [0,1,0,0,0,0|2,1,0]=4 176 B8R0.4 CCNCCCNCC CNP0239670.0 [0,1,0,0,0,0|3,0,0]=4 177 B8R0.4 CCOCCOCCO CNP0079970.0 [0,1,0,0,0,0|0,0,0]=1 178 B8R0.4 COCCOCCOC CNP0466646.0 [0,1,0,0,0,0|1,0,0]=2 179 B8R0.4 CSCCCCC=NO CNP0070910.0 [0,1,0,0,0,0|2,0,1]=4 180 B8R0.4 CSCCCCCC#N CNP0267304.0 [0,1,0,0,0,0|2,0,1]=4 181 B8R0.4 ClCOCOCOCCl CNP0134544.0 [0,1,0,0,0,0|3,0,0]=4 182 B8R0.4 NCCCNCCCN CNP0609056.0 [0,1,0,0,0,0|3,0,0]=4 183 B8R0.4 NCCCOCCCN CNP0453820.0 [0,1,0,0,0,0|2,0,0]=3 184 B8R0.4 OCCSSSCCO CNP0187126.0 [0,1,0,0,0,0|2,1,0]=4 185 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,1,0,0,0,0|1,0,2]=4 186 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [0,1,0,0,0,0|2,0,1]=4 187 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [0,1,0,0,0,0|2,0,1]=4 188 B8R0.6 CCC(C)OCCCO CNP0593328.0 [0,1,0,0,0,0|2,0,0]=3 189 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,1,0,0,0,0|2,0,1]=4 190 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,1,0,0,0,0|2,0,1]=4 191 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,1,0,0,0,0|1,0,1]=3 192 B8R0.6 CCCCCC(S)SC CNP0002612.0 [0,1,0,0,0,0|3,0,0]=4 193 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,1,0,0,0,0|2,0,0]=3 194 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,1,0,0,0,0|2,0,0]=3 195 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,1,0,0,0,0|2,0,0]=3 196 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [0,1,0,0,0,0|1,0,0]=2 197 B8R0.6 CCCCNC(=N)NO CNP0535503.0 [0,1,0,0,0,0|2,0,1]=4 198 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,1,0,0,0,0|1,0,1]=3 199 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,1,0,0,0,0|2,0,0]=3 200 B8R0.6 CCCSSC(C)CC CNP0570615.0 [0,1,0,0,0,0|2,1,0]=4 201 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,1,0,0,0,0|1,0,0]=2 202 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,1,0,0,0,0|1,0,0]=2 203 B8R0.6 COC(C)COCCCl CNP0537294.0 [0,1,0,0,0,0|2,0,0]=3 204 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,1,0,0,0,0|1,0,1]=3 205 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [0,1,0,0,0,0|1,0,2]=4 206 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,1,0,0,0,0|1,0,2]=4 207 B8R0.7 CC(C)CCCCCO CNP0090200.0 [0,1,0,0,0,0|1,0,0]=2 208 B8R0.7 CC(C)OCCCCO CNP0461229.0 [0,1,0,0,0,0|2,0,0]=3 209 B8R0.7 CCCCC#CC(C)C CNP0611973.0 [0,1,0,0,0,0|2,0,1]=4 210 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,1,0,0,0,0|1,0,2]=4 211 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [0,1,0,0,0,0|1,0,1]=3 212 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,1,0,0,0,0|1,0,2]=4 213 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,1,0,0,0,0|1,0,2]=4 214 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,1,0,0,0,0|1,0,2]=4 215 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,1,0,0,0,0|1,0,2]=4 216 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,1,0,0,0,0|1,0,1]=3 217 B8R0.7 CCCCCCC(C)C CNP0161146.0 [0,1,0,0,0,0|2,0,0]=3 218 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [0,1,0,0,0,0|2,0,0]=3 219 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [0,1,0,0,0,0|1,0,0]=2 220 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [0,1,0,0,0,0|2,0,0]=3 221 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [0,1,0,0,0,0|1,0,0]=2 222 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,1,0,0,0,0|2,0,0]=3 223 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,1,0,0,0,0|0,0,1]=2 225 B8R0.7 CCCCOCC(C)O CNP0506345.0 [0,1,0,0,0,0|0,0,0]=1 226 B8R0.7 CCCCSSC(C)C CNP0003138.0 [0,1,0,0,0,0|2,1,0]=4 227 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,1,0,0,0,0|1,0,1]=3 228 B8R0.7 C[C@H](N)CNCCCN CNP0150117.1 [0,1,0,0,0,0|3,0,0]=4 229 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,1,0,0,0,0|2,0,1]=4 230 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,1,0,0,0,0|2,0,1]=4 231 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,0,0,1,0,0|2,0,1]=4 232 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,0,0,1,0,0|2,0,1]=4 233 B8R1.2 CCC1CCCCC1 CNP0300322.0 [0,0,0,1,0,0|2,0,0]=3 234 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,0,0,1,0,0|1,0,0]=2 235 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,0,0,1,0,0|1,0,0]=2 237 B8R1.2 CNC1CCCCC1 CNP0474937.0 [0,0,0,1,0,0|3,0,0]=4 238 B8R1.2 NCC1CCCCC1 CNP0581484.0 [0,0,0,1,0,0|2,0,0]=3 239 B8R1.2 NCC1CCOCC1 CNP0398955.0 [0,0,0,1,0,0|3,0,0]=4 240 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,0,0,1,0,0|1,0,2]=4 241 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,0,0,1,0,0|1,0,1]=3 242 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,0,0,1,0,0|1,0,1]=3 243 B8R1.2 OCC1CCCCN1 CNP0335046.0 [0,0,0,1,0,0|1,0,0]=2 244 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [0,0,0,1,0,0|1,0,2]=4 245 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [0,0,0,1,0,0|2,0,0]=3 246 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [0,0,0,1,0,0|1,0,2]=4 247 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [0,0,0,1,0,0|0,0,0]=1 248 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [0,0,0,1,0,0|2,0,0]=3 249 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [0,0,0,1,0,0|2,0,1]=4 250 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [0,0,0,1,0,0|3,0,0]=4 251 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,0,0,1,0,0|2,0,1]=4 252 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,0,0,1,0,0|1,0,2]=4 253 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,0,0,1,0,0|1,0,2]=4 254 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,0,0,1,0,0|1,0,0]=2 255 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [0,0,0,1,0,0|2,0,0]=3 256 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [0,0,0,1,0,0|2,0,0]=3 257 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [0,0,0,1,0,0|2,0,0]=3 258 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [0,0,0,1,0,0|2,0,0]=3 259 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [0,0,0,1,0,0|2,0,0]=3 260 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [0,0,0,1,0,0|2,0,0]=3 261 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,0,0,1,0,0|2,0,1]=4 262 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [0,0,0,1,0,0|2,0,0]=3 263 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [0,0,0,1,0,0|2,0,0]=3 264 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [0,0,0,1,0,0|2,0,0]=3 265 B8R1.5 O[C@@H]1CSSC[C@H]1O CNP0508118.1 [0,0,0,1,0,0|2,1,0]=4 266 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [0,0,0,1,0,0|2,0,0]=3 267 B8R1.5 O[C@H]1CSSC[C@@H]1O CNP0508118.2 [0,0,0,1,0,0|2,1,0]=4 268 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,0,0,1,0,0|2,0,1]=4 269 B8R1.8 CCCC1CCCC1 CNP0271421.0 [0,0,0,1,0,0|2,0,0]=3 270 B8R1.8 CCCC1CCSS1 CNP0313862.0 [0,0,0,1,0,0|2,1,0]=4 271 B8R1.8 CCCC1NCCS1 CNP0002551.0 [0,0,0,1,0,0|1,1,0]=3 272 B8R1.8 CCCN1OCCO1 CNP0257167.0 [0,0,0,1,0,0|1,0,0]=2 273 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [0,0,0,1,0,0|3,0,0]=4 274 B8R1.10 CCCCC1CCC1 CNP0281769.0 [0,0,0,1,0,0|2,0,0]=3 275 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,0,0,1,0,0|1,0,2]=4 276 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [0,0,0,1,0,0|2,0,0]=3 277 B8R1.11 OC[C@H]1NCC[C@@H]1O CNP0110769.1 [0,0,0,1,0,0|2,0,0]=3 278 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,0,0,1,0,0|2,0,0]=3 279 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,1,0,0|1,0,2]=4 280 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,1,0,0|2,0,1]=4 281 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,1,0,0|2,0,1]=4 282 B8R1.22 O[C@@H]1CNCCOC1 CNP0237299.1 [0,0,0,1,0,0|1,0,0]=2 283 B8R1.36 CCCCCC1CC1 CNP0610547.0 [0,0,0,1,0,0|2,0,0]=3 284 B8R1.36 CCCOCC1CO1 CNP0085753.0 [0,0,0,1,0,0|2,0,0]=3 285 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [0,0,0,1,0,0|2,0,1]=4 286 B5R0.2 C=CCCCC CNP0264947.0 [2,0,0,0,0,0|0,0,2]=4 287 B5R0.2 C=CCCCO CNP0003396.0 [2,0,0,0,0,0|0,0,2]=4 288 B5R0.2 CC#CCCO CNP0515871.0 [2,0,0,0,0,0|0,0,2]=4 289 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|0,0,2]=4 290 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|0,0,2]=4 291 B5R0.2 CCC#CCO CNP0076027.0 [2,0,0,0,0,0|0,0,2]=4 292 B5R0.2 CCC=CCO CNP0239009.0 [2,0,0,0,0,0|0,0,2]=4 293 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|0,0,2]=4 294 B5R0.2 CCCC=NO CNP0071145.0 [2,0,0,0,0,0|1,0,1]=4 295 B5R0.2 CCCCC#N CNP0357663.0 [2,0,0,0,0,0|1,0,1]=4 296 B5R0.2 CCCCC=O CNP0361186.0 [2,0,0,0,0,0|0,0,2]=4 297 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,0]=3 298 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|0,0,0]=2 299 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,0]=3 300 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|1,0,0]=3 301 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|0,0,0]=2 302 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|0,1,0]=3 303 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|1,0,0]=3 304 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|0,0,0]=2 305 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|0,1,0]=3 306 B5R0.2 CCCC[S+]=O CNP0521772.0 [2,0,0,0,0,0|0,1,1]=4 307 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|0,0,2]=4 308 B5R0.2 CCCSCC CNP0316215.0 [2,0,0,0,0,0|0,1,0]=3 309 B5R0.2 CCCSSC CNP0296815.0 [2,0,0,0,0,0|1,1,0]=4 310 B5R0.2 CCNCCN CNP0281269.0 [2,0,0,0,0,0|2,0,0]=4 311 B5R0.2 CCNCCO CNP0396370.0 [2,0,0,0,0,0|1,0,0]=3 312 B5R0.2 CCOCC#N CNP0184632.0 [2,0,0,0,0,0|1,0,1]=4 313 B5R0.2 CCOCCO CNP0319988.0 [2,0,0,0,0,0|0,0,0]=2 314 B5R0.2 CCSCCN CNP0506731.0 [2,0,0,0,0,0|1,1,0]=4 315 B5R0.2 CCSSCC CNP0416624.0 [2,0,0,0,0,0|1,1,0]=4 316 B5R0.2 CNCCNC CNP0480039.0 [2,0,0,0,0,0|2,0,0]=4 317 B5R0.2 COCCOC CNP0144142.0 [2,0,0,0,0,0|1,0,0]=3 318 B5R0.2 CSCCCN CNP0348726.0 [2,0,0,0,0,0|1,1,0]=4 319 B5R0.2 CSCCCO CNP0359993.0 [2,0,0,0,0,0|1,0,0]=3 320 B5R0.2 N#CCCCO CNP0358912.0 [2,0,0,0,0,0|1,0,1]=4 321 B5R0.2 NCCCCN CNP0116270.0 [2,0,0,0,0,0|2,0,0]=4 322 B5R0.2 NCCCCO CNP0514594.0 [2,0,0,0,0,0|1,0,0]=3 323 B5R0.2 OCCCCBr CNP0083982.0 [2,0,0,0,0,0|1,0,0]=3 324 B5R0.2 OCCCCCl CNP0079807.0 [2,0,0,0,0,0|1,0,0]=3 325 B5R0.2 OCCCCO CNP0080008.0 [2,0,0,0,0,0|1,0,0]=3 326 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [2,0,0,0,0,0|1,0,1]=4 327 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,1,0,0,0,0|1,0,0]=3 328 B7R0.3 C=CC(C)CCCC CNP0354372.0 [1,1,0,0,0,0|1,0,1]=4 329 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [1,1,0,0,0,0|1,0,1]=4 330 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [1,1,0,0,0,0|1,0,1]=4 331 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,1,0,0,0,0|2,0,0]=4 332 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,1,0,0,0,0|0,0,1]=3 333 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,1,0,0,0,0|0,0,0]=2 334 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,1,0,0,0,0|1,0,1]=4 335 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,1,0,0,0,0|1,0,0]=3 336 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,1,0,0,0,0|2,0,0]=4 337 B7R0.3 CCCCC(C)CO CNP0563062.0 [1,1,0,0,0,0|0,0,0]=2 338 B7R0.3 CCCCC(O)CO CNP0481107.0 [1,1,0,0,0,0|0,0,0]=2 339 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [1,1,0,0,0,0|0,0,2]=4 340 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,1,0,0,0,0|1,0,0]=3 341 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,1,0,0,0,0|1,0,0]=3 342 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [1,1,0,0,0,0|0,0,0]=2 343 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [1,1,0,0,0,0|0,0,2]=4 344 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,1,0,0,0,0|1,0,0]=3 345 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [1,1,0,0,0,0|1,1,0]=4 346 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [1,1,0,0,0,0|1,1,0]=4 347 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,1,0,0,0,0|1,0,1]=4 348 B7R0.3 CCCSC(S)CC CNP0370062.0 [1,1,0,0,0,0|1,1,0]=4 349 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,1,0,0,0,0|1,0,1]=4 350 B7R0.3 CCOO[C@@H](C)OO CNP0317567.1 [1,1,0,0,0,0|2,0,0]=4 351 B7R0.3 CCOO[C@H](C)OO CNP0317567.2 [1,1,0,0,0,0|2,0,0]=4 352 B7R0.3 CCSSC(C)CC CNP0075907.0 [1,1,0,0,0,0|1,1,0]=4 353 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [1,1,0,0,0,0|0,0,2]=4 354 B7R0.3 CC[C@@H](O)C#CCO CNP0328022.1 [1,1,0,0,0,0|0,0,2]=4 355 B7R0.3 CC[C@H](O)C#CCO CNP0328022.2 [1,1,0,0,0,0|0,0,2]=4 356 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [1,1,0,0,0,0|1,0,0]=3 357 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [1,1,0,0,0,0|1,0,0]=3 358 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,1,0,0,0,0|0,0,1]=3 359 B7R0.4 C=CCCCC(C)C CNP0359236.0 [1,1,0,0,0,0|1,0,1]=4 360 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,1,0,0,0,0|1,0,1]=4 361 B7R0.4 CC(C)CCCCO CNP0497904.0 [1,1,0,0,0,0|0,0,0]=2 362 B7R0.4 CC(C)CCOC=O CNP0324042.0 [1,1,0,0,0,0|0,0,2]=4 363 B7R0.4 CC(C)CCON=O CNP0341686.0 [1,1,0,0,0,0|1,0,1]=4 364 B7R0.4 CC(O)CCCCO CNP0285438.0 [1,1,0,0,0,0|0,0,0]=2 365 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [1,1,0,0,0,0|0,0,2]=4 366 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [1,1,0,0,0,0|0,0,2]=4 367 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [1,1,0,0,0,0|0,0,2]=4 368 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,1,0,0,0,0|0,0,2]=4 369 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,1,0,0,0,0|0,0,2]=4 370 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,1,0,0,0,0|0,0,1]=3 371 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,1,0,0,0,0|0,0,1]=3 372 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,1,0,0,0,0|1,0,0]=3 373 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,1,0,0,0,0|0,0,1]=3 374 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,1,0,0,0,0|1,0,0]=3 375 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,1,0,0,0,0|0,0,0]=2 376 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,1,0,0,0,0|0,1,0]=3 377 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,1,0,0,0,0|1,0,0]=3 378 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,1,0,0,0,0|0,0,0]=2 379 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,1,0,0,0,0|0,1,0]=3 380 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,1,0,0,0,0|0,0,1]=3 381 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [1,1,0,0,0,0|1,1,0]=4 382 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [1,1,0,0,0,0|1,1,0]=4 383 B7R0.4 CCCNCC(C)C CNP0333564.0 [1,1,0,0,0,0|2,0,0]=4 384 B7R0.4 CCCSCC(C)C CNP0116113.0 [1,1,0,0,0,0|1,1,0]=4 385 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,1,0,0,0,0|1,0,1]=4 386 B7R0.4 CCCSSC(C)C CNP0309421.0 [1,1,0,0,0,0|1,1,0]=4 387 B7R0.4 CCNCCC(C)C CNP0184897.0 [1,1,0,0,0,0|1,0,0]=3 388 B7R0.4 CCOCC=C(C)C CNP0002719.0 [1,1,0,0,0,0|0,0,2]=4 389 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,1,0,0,0,0|0,0,1]=3 390 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,1,0,0,0,0|1,0,1]=4 391 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,1,0,0,0,0|0,0,0]=2 392 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,1,0,0,0,0|1,0,1]=4 393 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,1,0,0,0,0|1,0,1]=4 394 B7R0.4 NC(=O)COCCO CNP0488363.0 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,1,0,0,0,0|1,0,1]=4 397 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [1,1,0,0,0,0|1,0,0]=3 398 B7R0.7 C=C(CCC)CCC CNP0515689.0 [1,1,0,0,0,0|1,0,1]=4 399 B7R0.7 C=C(OCC)OCC CNP0510072.0 [1,1,0,0,0,0|1,0,1]=4 400 B7R0.7 CC=CC(C)CCC CNP0084706.0 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.7 CC=CC(O)CCC CNP0324750.0 [1,1,0,0,0,0|1,0,1]=4 402 B7R0.7 CCC=C(C)CCC CNP0345457.0 [1,1,0,0,0,0|1,0,1]=4 403 B7R0.7 CCCC(=O)CCC CNP0310318.0 [1,1,0,0,0,0|1,0,1]=4 404 B7R0.7 CCCC(=O)OCC CNP0232050.0 [1,1,0,0,0,0|0,0,1]=3 405 B7R0.7 CCCC(=S)OCC CNP0612025.0 [1,1,0,0,0,0|0,0,1]=3 406 B7R0.7 CCCC(C)CC=O CNP0405888.0 [1,1,0,0,0,0|0,0,2]=4 407 B7R0.7 CCCC(C)CCC CNP0137963.0 [1,1,0,0,0,0|1,0,0]=3 408 B7R0.7 CCCC(O)CCC CNP0407378.0 [1,1,0,0,0,0|1,0,0]=3 409 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [1,1,0,0,0,0|0,0,0]=2 410 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [1,1,0,0,0,0|0,1,0]=3 411 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [1,1,0,0,0,0|0,0,0]=2 412 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [1,1,0,0,0,0|0,0,0]=2 413 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [1,1,0,0,0,0|0,0,0]=2 414 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [1,1,0,0,0,0|0,0,0]=2 415 B7R0.7 CCOC(=O)CCS CNP0347470.0 [1,1,0,0,0,0|1,0,1]=4 416 B7R0.7 CCOC(=O)CNC CNP0575591.0 [1,1,0,0,0,0|1,0,1]=4 417 B7R0.7 CCOC(=O)CSC CNP0330528.0 [1,1,0,0,0,0|1,0,1]=4 418 B7R0.7 CCOC(=O)OCC CNP0167765.0 [1,1,0,0,0,0|1,0,1]=4 419 B7R0.7 CCOC(C)OCC CNP0177172.0 [1,1,0,0,0,0|1,0,0]=3 420 B7R0.7 CCOP(=O)OCC CNP0575132.0 [1,1,0,0,0,0|2,0,0]=4 421 B7R0.7 CCSC(C)SCC CNP0610536.0 [1,1,0,0,0,0|1,1,0]=4 422 B7R0.7 OCCC(O)CCO CNP0198973.0 [1,1,0,0,0,0|1,0,0]=3 423 B7R0.7 [O-][S+](CCO)CCO CNP0606218.0 [1,1,0,0,0,0|1,1,0]=4 424 B9R0.4 CCCC[C@@H](N)CC(=O)O CNP0106474.1 [0,2,0,0,0,0|1,0,1]=4 425 B9R0.4 CCCC[C@@H](O)CC(C)C CNP0080555.1 [0,2,0,0,0,0|2,0,0]=4 426 B9R0.4 CCCC[C@H](N)CC(=O)O CNP0106474.2 [0,2,0,0,0,0|1,0,1]=4 427 B9R0.4 CCCC[C@H](O)CC(C)C CNP0080555.2 [0,2,0,0,0,0|2,0,0]=4 428 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [0,2,0,0,0,0|1,0,1]=4 429 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [0,2,0,0,0,0|2,0,0]=4 430 B9R0.5 CCC=CCC(O)CCO CNP0003570.0 [0,2,0,0,0,0|1,0,1]=4 431 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,2,0,0,0,0|2,0,0]=4 432 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,2,0,0,0,0|1,0,0]=3 433 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [0,2,0,0,0,0|1,0,1]=4 434 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [0,2,0,0,0,0|1,0,1]=4 435 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [0,2,0,0,0,0|2,0,0]=4 436 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,2,0,0,0,0|2,0,0]=4 437 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [0,2,0,0,0,0|1,0,0]=3 438 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,2,0,0,0,0|1,0,0]=3 439 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [0,2,0,0,0,0|1,0,0]=3 440 B9R0.8 CCCCC(C)C(C)CC CNP0516887.0 [0,2,0,0,0,0|2,0,0]=4 441 B9R0.8 CCCC[C@@H](O)[C@H](C)CC CNP0267749.1 [0,2,0,0,0,0|2,0,0]=4 442 B9R0.8 CCCC[C@@H](O)[C@H](O)CO CNP0487375.1 [0,2,0,0,0,0|1,0,0]=3 443 B9R0.8 CCCC[C@H](O)[C@@H](C)CC CNP0267749.2 [0,2,0,0,0,0|2,0,0]=4 444 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [0,2,0,0,0,0|1,0,1]=4 445 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [0,2,0,0,0,0|1,0,1]=4 446 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [0,2,0,0,0,0|2,0,0]=4 447 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [0,2,0,0,0,0|1,0,0]=3 448 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [0,2,0,0,0,0|2,0,0]=4 449 B9R0.18 CCCC[S+]([O-])CCCC CNP0610540.0 [0,2,0,0,0,0|1,1,0]=4 450 B9R0.18 CCCOS(=O)OCCC CNP0081953.0 [0,2,0,0,0,0|2,0,0]=4 451 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [0,2,0,0,0,0|1,0,1]=4 452 B9R0.34 CCCC(C)CC(C)CC CNP0083059.0 [0,2,0,0,0,0|2,0,0]=4 453 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,2,0,0,0,0|1,0,1]=4 454 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [0,2,0,0,0,0|2,0,0]=4 455 B9R0.35 CCC[C@@H](O)[C@@H](C)CCC CNP0244344.1 [0,2,0,0,0,0|2,0,0]=4 456 B9R0.40 CCCCC(CC)CCC CNP0569100.0 [0,2,0,0,0,0|2,0,0]=4 457 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,2,0,0,0,0|1,0,1]=4 458 B9R0.48 CCCC(O)CCC(C)C CNP0579701.0 [0,2,0,0,0,0|2,0,0]=4 459 B9R0.48 CCC[C@@H](N)CCC(=O)O CNP0360374.1 [0,2,0,0,0,0|1,0,1]=4 460 B9R0.48 CCC[C@@H](O)CCC(=O)O CNP0457735.2 [0,2,0,0,0,0|1,0,1]=4 461 B9R0.48 CCC[C@H](N)CCC(=O)O CNP0360374.2 [0,2,0,0,0,0|1,0,1]=4 462 B9R0.48 CCC[C@H](O)CCC(=O)O CNP0457735.1 [0,2,0,0,0,0|1,0,1]=4 463 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,2,0,0,0,0|1,0,0]=3 464 B9R0.2 CC(C)CCCCCC=O CNP0541884.0 [0,2,0,0,0,0|1,0,1]=4 465 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,2,0,0,0,0|1,0,1]=4 466 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,2,0,0,0,0|1,0,1]=4 467 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,2,0,0,0,0|1,0,1]=4 468 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,2,0,0,0,0|1,0,1]=4 469 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,2,0,0,0,0|1,0,1]=4 470 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,2,0,0,0,0|1,0,0]=3 471 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,2,0,0,0,0|1,0,1]=4 472 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,2,0,0,0,0|1,0,1]=4 473 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,2,0,0,0,0|1,0,1]=4 474 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,2,0,0,0,0|1,0,1]=4 475 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,2,0,0,0,0|1,0,1]=4 476 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,2,0,0,0,0|1,0,1]=4 477 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [0,2,0,0,0,0|2,0,0]=4 478 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,2,0,0,0,0|1,0,0]=3 479 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,2,0,0,0,0|1,0,0]=3 480 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,2,0,0,0,0|1,0,0]=3 481 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,2,0,0,0,0|1,0,1]=4 482 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,2,0,0,0,0|0,0,0]=2 483 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,2,0,0,0,0|0,0,1]=3 484 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,2,0,0,0,0|1,0,1]=4 485 B9R0.45 C#CCCC#CCCCC CNP0154366.0 [0,2,0,0,0,0|2,0,0]=4 486 B9R0.45 C#CCCCCCCCC CNP0272182.0 [0,2,0,0,0,0|2,0,0]=4 487 B9R0.45 C=CCCCCCCCC CNP0330037.0 [0,2,0,0,0,0|2,0,0]=4 488 B9R0.45 C=CCCCCCCCO CNP0326407.0 [0,2,0,0,0,0|1,0,0]=3 489 B9R0.45 CC#CCCCCCCC CNP0076890.0 [0,2,0,0,0,0|2,0,0]=4 490 B9R0.45 CCC#CCCCCCC CNP0606734.0 [0,2,0,0,0,0|2,0,0]=4 491 B9R0.45 CCC=CCC=CCCO CNP0184621.0 [0,2,0,0,0,0|1,0,1]=4 492 B9R0.45 CCC=CCCC=CCO CNP0250471.0 [0,2,0,0,0,0|1,0,1]=4 493 B9R0.45 CCC=CCCCCCC CNP0223572.0 [0,2,0,0,0,0|2,0,0]=4 494 B9R0.45 CCC=CCCCCCO CNP0246173.0 [0,2,0,0,0,0|1,0,0]=3 495 B9R0.45 CCCC#CCCCCC CNP0576219.0 [0,2,0,0,0,0|2,0,0]=4 496 B9R0.45 CCCC=CCCCCC CNP0076954.0 [0,2,0,0,0,0|2,0,0]=4 497 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [0,2,0,0,0,0|1,0,1]=4 498 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [0,2,0,0,0,0|1,0,1]=4 499 B9R0.45 CCCCCC=CCCO CNP0111850.0 [0,2,0,0,0,0|1,0,0]=3 500 B9R0.45 CCCCCCC#CCO CNP0485953.0 [0,2,0,0,0,0|1,0,0]=3 501 B9R0.45 CCCCCCC=CCO CNP0303395.0 [0,2,0,0,0,0|1,0,0]=3 502 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [0,2,0,0,0,0|1,0,1]=4 503 B9R0.45 CCCCCCCC=CO CNP0085832.0 [0,2,0,0,0,0|1,0,0]=3 504 B9R0.45 CCCCCCCC=NO CNP0247046.0 [0,2,0,0,0,0|1,0,0]=3 505 B9R0.45 CCCCCCCCC#N CNP0309769.0 [0,2,0,0,0,0|2,0,0]=4 506 B9R0.45 CCCCCCCCC=O CNP0328165.0 [0,2,0,0,0,0|1,0,1]=4 507 B9R0.45 CCCCCCCCCC CNP0279708.0 [0,2,0,0,0,0|2,0,0]=4 508 B9R0.45 CCCCCCCCCI CNP0565198.0 [0,2,0,0,0,0|2,0,0]=4 509 B9R0.45 CCCCCCCCCO CNP0307663.0 [0,2,0,0,0,0|1,0,0]=3 510 B9R0.45 CCCCCCCCOC CNP0305574.0 [0,2,0,0,0,0|1,0,0]=3 511 B9R0.45 CCCCCCCNC=O CNP0503918.0 [0,2,0,0,0,0|1,0,1]=4 512 B9R0.45 CCCCCCCOC=O CNP0272781.0 [0,2,0,0,0,0|1,0,0]=3 513 B9R0.45 CCCCCCCOCC CNP0144632.0 [0,2,0,0,0,0|1,0,0]=3 514 B9R0.45 CCCCCCOCCC CNP0488672.0 [0,2,0,0,0,0|1,0,0]=3 515 B9R0.45 CCCCCOCCCC CNP0134382.0 [0,2,0,0,0,0|1,0,0]=3 516 B9R0.45 CCCCOCCCCO CNP0571704.0 [0,2,0,0,0,0|0,0,0]=2 517 B9R0.45 CCOCCOCCOC CNP0567615.0 [0,2,0,0,0,0|0,0,0]=2 518 B9R0.45 CSCCCCCC=NO CNP0405939.0 [0,2,0,0,0,0|1,0,1]=4 519 B9R0.45 CSCCCCCCC#N CNP0328653.0 [0,2,0,0,0,0|2,0,0]=4 520 B9R0.45 NCCCCCCCCN CNP0462737.0 [0,2,0,0,0,0|2,0,0]=4 521 B9R0.45 NCCCCNCCCN CNP0279184.0 [0,2,0,0,0,0|2,0,0]=4 522 B9R0.45 NCCNCCNCCN CNP0020482.0 [0,2,0,0,0,0|2,0,0]=4 523 B9R0.45 NCCSCCSCCN CNP0451259.0 [0,2,0,0,0,0|1,1,0]=4 524 B9R0.45 OCCCCCCCCO CNP0076363.0 [0,2,0,0,0,0|1,0,0]=3 525 B9R0.45 OCCCSSCCCO CNP0182015.0 [0,2,0,0,0,0|1,1,0]=4 526 B9R0.45 OCCOCCOCCO CNP0560711.0 [0,2,0,0,0,0|0,0,0]=2 527 B9R0.45 SCCCCCCCCS CNP0058300.0 [0,2,0,0,0,0|1,1,0]=4 528 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [0,2,0,0,0,0|1,0,0]=3 529 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [0,2,0,0,0,0|1,0,1]=4 530 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [0,2,0,0,0,0|1,0,0]=3 531 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [0,2,0,0,0,0|1,0,1]=4 532 B9R0.46 CCCC#CCC(O)CC CNP0082068.0 [0,2,0,0,0,0|1,0,1]=4 533 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [0,2,0,0,0,0|1,0,1]=4 534 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,2,0,0,0,0|2,0,0]=4 535 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,2,0,0,0,0|1,0,1]=4 536 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [0,2,0,0,0,0|1,0,1]=4 537 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [0,2,0,0,0,0|1,0,0]=3 538 B9R0.46 CCCCCCC(C)NN CNP0592321.0 [0,2,0,0,0,0|2,0,0]=4 539 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [0,2,0,0,0,0|2,0,0]=4 540 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [0,2,0,0,0,0|1,0,0]=3 541 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [0,2,0,0,0,0|1,0,0]=3 542 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [0,2,0,0,0,0|1,0,0]=3 543 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [0,2,0,0,0,0|1,0,0]=3 544 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,2,0,0,0,0|1,0,1]=4 545 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [0,2,0,0,0,0|2,0,0]=4 546 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [0,2,0,0,0,0|1,0,0]=3 547 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [0,2,0,0,0,0|0,1,1]=4 548 B9R0.46 NCCCSC[C@H](N)CO CNP0509719.1 [0,2,0,0,0,0|1,1,0]=4 549 B9R0.1 C=C(C)CCCC(C)CO CNP0345669.0 [0,2,0,0,0,0|1,0,1]=4 550 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [0,2,0,0,0,0|1,0,0]=3 551 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [0,2,0,0,0,0|1,0,0]=3 552 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,2,0,0,0,0|1,0,1]=4 553 B9R0.1 CCC(C)CCCC(=O)O CNP0085923.0 [0,2,0,0,0,0|1,0,1]=4 554 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [0,2,0,0,0,0|1,0,0]=3 555 B9R0.1 CCC(C)OCCC(=O)C CNP0493314.0 [0,2,0,0,0,0|1,0,1]=4 556 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [0,2,0,0,0,0|2,0,0]=4 557 B9R0.20 CCCCCC(C)(C)CC CNP0233685.0 [0,2,0,0,0,0|2,0,0]=4 558 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,2,0,0,0,0|1,0,1]=4 559 B9R0.24 CCC(C)CCC(C)CC CNP0597985.0 [0,2,0,0,0,0|2,0,0]=4 560 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,2,0,0,0,0|1,0,1]=4 561 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [0,2,0,0,0,0|1,0,0]=3 562 B9R0.47 CCCCC[C@@H](C)C(=O)O CNP0262834.1 [0,2,0,0,0,0|1,0,1]=4 563 B9R0.47 CCCCC[C@@H](N)C(=O)O CNP0193634.1 [0,2,0,0,0,0|1,0,1]=4 564 B9R0.47 CCCCC[C@@H](O)C(=O)O CNP0135339.2 [0,2,0,0,0,0|1,0,1]=4 565 B9R0.47 CCCCC[C@H](N)C(=O)O CNP0193634.2 [0,2,0,0,0,0|1,0,1]=4 566 B9R0.47 CCCCC[C@H](O)C(=O)O CNP0135339.1 [0,2,0,0,0,0|1,0,1]=4 567 B9R0.47 CCCCC[C@H](O)C(Br)Br CNP0017667.1 [0,2,0,0,0,0|2,0,0]=4 568 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [0,2,0,0,0,0|1,0,0]=3 569 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [0,2,0,0,0,0|1,0,0]=3 570 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,2,0,0,0,0|1,0,1]=4 571 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,2,0,0,0,0|0,0,1]=3 572 B9R0.50 C=CC(CC)CCCCC CNP0538768.0 [0,2,0,0,0,0|2,0,0]=4 573 B9R0.50 C=CC(CCCCC)OO CNP0001521.0 [0,2,0,0,0,0|2,0,0]=4 574 B9R0.38 CCCCC=CC(C)(C)O CNP0348905.0 [0,2,0,0,0,0|1,0,1]=4 575 B9R0.55 CC(C)CCCCC(=O)O CNP0196819.0 [0,2,0,0,0,0|1,0,1]=4 576 B9R0.55 CC(C)CCCCC(C)C CNP0111147.0 [0,2,0,0,0,0|2,0,0]=4 577 B9R0.55 CC(C)CCCCC(C)O CNP0482038.0 [0,2,0,0,0,0|1,0,0]=3 578 B7R1.1 C=CC1OCCO1 CNP0206238.0 [1,0,0,1,0,0|0,0,2]=4 579 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,0,0,1,0,0|1,0,1]=4 580 B7R1.1 CCC1CCCC1 CNP0273207.0 [1,0,0,1,0,0|1,0,0]=3 581 B7R1.1 CCC1OCCO1 CNP0566823.0 [1,0,0,1,0,0|0,0,0]=2 582 B7R1.1 COC1OCCO1 CNP0076084.0 [1,0,0,1,0,0|1,0,0]=3 583 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [1,0,0,1,0,0|2,0,0]=4 584 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [1,0,0,1,0,0|1,0,0]=3 585 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [1,0,0,1,0,0|0,0,0]=2 586 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [1,0,0,1,0,0|1,0,0]=3 587 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [1,0,0,1,0,0|0,0,0]=2 588 B7R1.3 BrC1CCCCC1 CNP0085881.0 [1,0,0,1,0,0|1,0,0]=3 589 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,1,0,0|1,0,1]=4 590 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|1,0,1]=4 591 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,1,0,0|1,0,0]=3 592 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,1,0,0|0,0,0]=2 593 B7R1.3 CC1CCNCC1 CNP0080033.0 [1,0,0,1,0,0|1,0,0]=3 594 B7R1.3 CC1CCOCO1 CNP0130543.0 [1,0,0,1,0,0|0,0,0]=2 595 B7R1.3 CN1CCCCC1 CNP0325316.0 [1,0,0,1,0,0|2,0,0]=4 596 B7R1.3 CN1CCOCC1 CNP0225764.0 [1,0,0,1,0,0|1,0,0]=3 597 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [1,0,0,1,0,0|1,0,1]=4 598 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [1,0,0,1,0,0|1,0,0]=3 599 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [1,0,0,1,0,0|1,0,0]=3 600 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [1,0,0,1,0,0|1,0,0]=3 601 B7R1.3 NC1CCCCC1 CNP0149842.0 [1,0,0,1,0,0|1,0,0]=3 602 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|0,0,2]=4 603 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|0,0,2]=4 604 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|0,0,2]=4 605 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,1,0,0|1,0,1]=4 606 B7R1.3 OC1CC=CCC1 CNP0198711.0 [1,0,0,1,0,0|0,0,2]=4 607 B7R1.3 OC1CCCCC1 CNP0213861.0 [1,0,0,1,0,0|0,0,0]=2 608 B7R1.3 OC1COCOC1 CNP0567932.0 [1,0,0,1,0,0|1,0,0]=3 609 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [1,0,0,1,0,0|0,0,2]=4 610 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [1,0,0,1,0,0|0,0,2]=4 611 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [1,0,0,1,0,0|0,0,2]=4 612 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,1,0,0|0,0,2]=4 613 B7R1.4 CC1OCCC1O CNP0002607.0 [1,0,0,1,0,0|1,0,0]=3 614 B7R1.4 CC1OCCC1S CNP0002942.0 [1,0,0,1,0,0|1,0,0]=3 615 B7R1.4 CC1SCCC1O CNP0179885.0 [1,0,0,1,0,0|1,0,0]=3 616 B7R1.4 CC1SCCC1S CNP0002610.0 [1,0,0,1,0,0|1,1,0]=4 617 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|0,0,2]=4 618 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [1,0,0,1,0,0|1,0,0]=3 619 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [1,0,0,1,0,0|1,0,0]=3 620 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [1,0,0,1,0,0|0,0,0]=2 621 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|0,0,2]=4 622 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [1,0,0,1,0,0|1,1,0]=4 623 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [1,0,0,1,0,0|1,0,1]=4 624 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|0,0,2]=4 625 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [1,0,0,1,0,0|1,0,0]=3 626 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|0,0,2]=4 627 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [1,0,0,1,0,0|1,0,1]=4 628 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [1,0,0,1,0,0|1,1,0]=4 629 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [1,0,0,1,0,0|1,1,0]=4 630 B7R1.4 OC1CCCC1O CNP0519159.0 [1,0,0,1,0,0|1,0,0]=3 631 B7R1.4 O[C@@H]1COC[C@@H]1O CNP0326371.1 [1,0,0,1,0,0|1,0,0]=3 632 B7R1.4 O[C@@H]1COC[C@H]1O CNP0326371.2 [1,0,0,1,0,0|1,0,0]=3 633 B7R1.4 O[C@H]1COC[C@@H]1O CNP0326371.3 [1,0,0,1,0,0|1,0,0]=3 634 B7R1.4 SC1CCCC1S CNP0098071.0 [1,0,0,1,0,0|1,1,0]=4 635 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [1,0,0,1,0,0|0,0,0]=2 636 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [1,0,0,1,0,0|0,1,0]=3 637 B7R1.7 CCCCC1CO1 CNP0608682.0 [1,0,0,1,0,0|0,0,0]=2 638 B7R1.8 CCC1CCC1O CNP0521190.0 [1,0,0,1,0,0|0,0,0]=2 639 B7R1.24 C1CCCCCC1 CNP0223227.0 [1,0,0,1,0,0|1,0,0]=3 640 B7R1.24 C1COCOCO1 CNP0076298.0 [1,0,0,1,0,0|1,0,0]=3 641 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [0,1,0,1,0,0|2,0,0]=4 642 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,1,0,1,0,0|1,0,1]=4 643 B9R1.2 COC1CN(CCO1)C CNP0462036.0 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [0,1,0,1,0,0|2,0,0]=4 648 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,1,0,1,0,0|1,0,1]=4 649 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,1,0,1,0,0|2,0,0]=4 653 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.8 CCCN1CCCCC1 CNP0186645.0 [0,1,0,1,0,0|2,0,0]=4 655 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [0,1,0,1,0,0|2,0,0]=4 656 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [0,1,0,1,0,0|2,0,0]=4 657 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.8 NCCC1CCCCN1 CNP0503669.0 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.8 NCCN1CCOCC1 CNP0466280.0 [0,1,0,1,0,0|2,0,0]=4 660 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [0,1,0,1,0,0|1,0,1]=4 661 B9R1.8 OCCN1CCCCC1 CNP0303387.0 [0,1,0,1,0,0|1,0,0]=3 662 B9R1.8 OCC[C@@H]1CCCCN1 CNP0378251.2 [0,1,0,1,0,0|1,0,0]=3 663 B9R1.8 OCC[C@H]1CCCCN1 CNP0378251.1 [0,1,0,1,0,0|1,0,0]=3 664 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.12 CCCCC1NCCS1 CNP0050618.0 [0,1,0,1,0,0|1,1,0]=4 666 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [0,1,0,1,0,0|1,1,0]=4 667 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [0,1,0,1,0,0|1,0,0]=3 668 B9R1.12 CCCSC1CCCC1 CNP0498612.0 [0,1,0,1,0,0|1,1,0]=4 669 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,1,0,1,0,0|1,0,1]=4 670 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [0,1,0,1,0,0|2,0,0]=4 671 B9R1.15 O=C1COCCC1CO CNP0612158.0 [0,1,0,1,0,0|0,0,2]=4 672 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [0,1,0,1,0,0|1,0,1]=4 673 B9R1.22 CC[C@@H]1C[C@@H](C[C@H]1C)C CNP0257399.1 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O CNP0110439.1 [0,1,0,1,0,0|1,0,1]=4 675 B9R1.22 OC[C@@H]1O[C@@H](C[C@H]1O)O CNP0146341.2 [0,1,0,1,0,0|1,0,0]=3 676 B9R1.22 OC[C@H]1OC(C[C@@H]1O)O CNP0146341.1 [0,1,0,1,0,0|1,0,0]=3 677 B9R1.22 OC[C@H]1O[C@H](C[C@@H]1O)O CNP0146341.3 [0,1,0,1,0,0|1,0,0]=3 678 B9R1.22 [B]N1C[C@@H]([C@H](C1)O)NC CNP0592692.1 [0,1,0,1,0,0|2,0,0]=4 679 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,1,0,1,0,0|1,0,0]=3 680 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,1,0,1,0,0|1,0,0]=3 681 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,1,0,1,0,0|1,0,1]=4 683 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,1,0,1,0,0|2,0,0]=4 684 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,1,0,1,0,0|1,0,1]=4 686 B9R1.50 OC1COOCCOO1 CNP0517320.0 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,1,0,0|0,0,1]=3 688 B9R1.69 CC1CCC(CC1C)O CNP0084708.0 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.69 C[C@@H]1CC[C@H]([C@@H](C1)C)C CNP0283819.1 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.69 C[C@@H]1C[C@@H]([C@H](CO1)O)O CNP0205003.3 [0,1,0,1,0,0|1,0,0]=3 691 B9R1.69 C[C@@H]1C[C@H]([C@@H](CO1)O)O CNP0205003.2 [0,1,0,1,0,0|1,0,0]=3 692 B9R1.69 C[C@@H]1C[C@H]([C@H](CO1)O)O CNP0205003.1 [0,1,0,1,0,0|1,0,0]=3 693 B9R1.69 C[C@@H]1O[C@H](CC[C@@H]1O)O CNP0422647.2 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.69 C[C@@H]1O[C@H](CC[C@H]1O)O CNP0422647.1 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.69 C[C@H]1O[C@H](CC[C@@H]1O)O CNP0422647.3 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,1,0,1,0,0|1,0,1]=4 697 B9R1.69 O[C@@H]1CO[C@H](C[C@H]1O)O CNP0239682.3 [0,1,0,1,0,0|1,0,0]=3 698 B9R1.69 O[C@@H]1C[C@@H]([C@@H](CO1)O)O CNP0239682.1 [0,1,0,1,0,0|1,0,0]=3 699 B9R1.69 O[C@@H]1C[C@H]([C@@H](CO1)O)O CNP0239682.2 [0,1,0,1,0,0|1,0,0]=3 700 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,1,0,1,0,0|1,0,1]=4 701 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,1,0,0|1,0,1]=4 702 B9R1.14 CC[C@@H]1CCC=C1CO CNP0229914.1 [0,1,0,1,0,0|1,0,1]=4 703 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [0,1,0,1,0,0|1,0,1]=4 704 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [0,1,0,1,0,0|1,0,1]=4 705 B9R1.16 CCCCCC1CC1C CNP0611992.0 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [0,1,0,1,0,0|1,1,0]=4 707 B9R1.83 C=CCCCC[C@@H]1CO1 CNP0393072.1 [0,1,0,1,0,0|1,0,1]=4 708 B9R1.103 C1CCCCCCCC1 CNP0112399.0 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.103 C1CNCCNCCN1 CNP0450491.0 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.103 C1CNCCSCCN1 CNP0441018.0 [0,1,0,1,0,0|1,1,0]=4 711 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CNP0167936.1 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.1 CC[C@H]1CC[C@H](CC1)O CNP0167936.2 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.1 OC[C@@H]1CC[C@H](CN1)O CNP0271458.1 [0,1,0,1,0,0|1,0,0]=3 715 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [0,1,0,1,0,0|1,0,0]=3 716 B9R1.3 CC1[C@@H](CCC[C@H]1C)C CNP0315073.2 [0,1,0,1,0,0|2,0,0]=4 717 B9R1.3 C[C@@H]1CCC[C@@H]([C@H]1O)C CNP0252698.1 [0,1,0,1,0,0|1,0,0]=3 718 B9R1.3 C[C@H]1NCC[C@H]([C@@H]1O)O CNP0174732.1 [0,1,0,1,0,0|2,0,0]=4 719 B9R1.3 C[C@H]1[C@@H](CCC[C@@H]1C)C CNP0315073.1 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.3 OC1[C@H](CNC[C@@H]1O)O CNP0147107.2 [0,1,0,1,0,0|2,0,0]=4 721 B9R1.3 O[C@@H]1[C@@H](CNC[C@@H]1O)O CNP0147107.1 [0,1,0,1,0,0|2,0,0]=4 722 B9R1.3 O[C@H]1[C@@H](COC[C@@H]1O)O CNP0216496.1 [0,1,0,1,0,0|1,0,0]=3 723 B9R1.11 CCC(C)C1OCCO1 CNP0407840.0 [0,1,0,1,0,0|0,0,0]=2 724 B9R1.11 CCC(O)C1CCCC1 CNP0577832.0 [0,1,0,1,0,0|2,0,0]=4 725 B9R1.21 CC[C@@H]1CC[C@@H](O1)CC CNP0244835.1 [0,1,0,1,0,0|2,0,0]=4 726 B9R1.21 CC[C@@H]1CC[C@H](O1)CC CNP0244835.2 [0,1,0,1,0,0|2,0,0]=4 727 B9R1.21 OC[C@@H]1CC[C@@H](O1)CO CNP0531735.1 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.118 CCC1(CCCCC1)C CNP0085951.0 [0,1,0,1,0,0|2,0,0]=4 729 B9R1.132 OC[C@@H]1NC[C@@H]([C@@H]1O)O CNP0229859.7 [0,1,0,1,0,0|2,0,0]=4 730 B9R1.132 OC[C@@H]1NC[C@@H]([C@H]1O)O CNP0229859.6 [0,1,0,1,0,0|2,0,0]=4 731 B9R1.132 OC[C@@H]1NC[C@H]([C@@H]1O)O CNP0229859.8 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.132 OC[C@@H]1NC[C@H]([C@H]1O)O CNP0229859.5 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.132 OC[C@@H]1OC[C@H]([C@@H]1O)O CNP0039906.1 [0,1,0,1,0,0|1,0,0]=3 734 B9R1.132 OC[C@H]1NC[C@@H]([C@@H]1O)O CNP0229859.3 [0,1,0,1,0,0|2,0,0]=4 735 B9R1.132 OC[C@H]1NC[C@@H]([C@H]1O)O CNP0229859.2 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.132 OC[C@H]1NC[C@H]([C@@H]1O)O CNP0229859.1 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.132 OC[C@H]1NC[C@H]([C@H]1O)O CNP0229859.4 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.132 OC[C@H]1SC[C@H]([C@@H]1O)O CNP0356032.1 [0,1,0,1,0,0|1,1,0]=4 739 B9R1.6 CC(C)C1CCCCC1 CNP0137845.0 [0,1,0,1,0,0|2,0,0]=4 740 B9R1.6 O=C(O)C1CCCCC1 CNP0244214.0 [0,1,0,1,0,0|1,0,1]=4 741 B9R1.6 O=C(O)[C@@H]1CCCCN1 CNP0148927.2 [0,1,0,1,0,0|1,0,1]=4 742 B9R1.6 O=C(O)[C@H]1CCCCN1 CNP0148927.1 [0,1,0,1,0,0|1,0,1]=4 743 B9R1.6 O=[14C](O)[C@H]1CCCCN1 CNP0148927.3 [0,1,0,1,0,0|1,0,1]=4 744 B9R1.13 CC(C)CC1NCCS1 CNP0121305.0 [0,1,0,1,0,0|1,1,0]=4 745 B9R1.13 CC(O)CC1CCCN1 CNP0502061.0 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.13 O=C(O)CC1CCCC1 CNP0381828.0 [0,1,0,1,0,0|1,0,1]=4 747 B9R1.40 CC1(OCOC[C@H]1O)C CNP0328509.1 [0,1,0,1,0,0|1,0,0]=3 748 B9R1.40 C[C@H]1CCCCC1(C)C CNP0292350.1 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.40 C[C@]1(CCCC[C@@H]1O)Cl CNP0062088.1 [0,1,0,1,0,0|1,0,0]=3 750 B9R1.40 C[C@]1(CCCC[C@@H]1O)O CNP0051612.1 [0,1,0,1,0,0|1,0,0]=3 751 B9R1.41 C[C@@H]1CCC[C@H]1C(=O)O CNP0302447.1 [0,1,0,1,0,0|1,0,1]=4 752 B9R1.41 C[C@H]1CCC[C@@H]1C(=O)O CNP0302447.2 [0,1,0,1,0,0|1,0,1]=4 753 B9R1.85 O=C(O)CCCC1CC1 CNP0252470.0 [0,1,0,1,0,0|1,0,1]=4 754 B9R1.148 CC1(CCCCCC1)O CNP0595918.0 [0,1,0,1,0,0|1,0,0]=3 755 B9R2.24 OC1C2C=CC1CC2 CNP0612200.0 [0,0,0,2,0,0|1,0,1]=4 756 B9R2.49 C1CC2CCC1CO2 CNP0513490.0 [0,0,0,2,0,0|1,0,0]=3 757 B9R2.19 OC1C=CC2CC1C2 CNP0085871.0 [0,0,0,2,0,0|1,0,1]=4 758 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,2,0,0|0,0,2]=4 759 B9R2.3 C1CC2CCCC2C1 CNP0085894.0 [0,0,0,2,0,0|2,0,0]=4 760 B9R2.3 C1CC2CCCN2C1 CNP0077173.0 [0,0,0,2,0,0|2,0,0]=4 761 B9R2.79 CC[C@H]1C[C@H]1C2CC2 CNP0335376.1 [0,0,0,2,0,0|2,0,0]=4