0 B6R0.6 C#CCCCCO CNP0289179.0 [0,0,0,0,0,0|0,1,2]=3 1 B6R0.6 C=CC=CCCC CNP0526826.0 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.6 C=CCCC=CC CNP0426808.0 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.6 C=CCCCC#N CNP0287374.0 [0,0,0,0,0,0|1,0,3]=4 4 B6R0.6 C=CCCCC=C CNP0115869.0 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.6 C=CCCCCC CNP0226691.0 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.6 C=CCCCCO CNP0162421.0 [0,0,0,0,0,0|0,1,2]=3 7 B6R0.6 C=CCOCCO CNP0248950.0 [0,0,0,0,0,0|1,1,2]=4 8 B6R0.6 C=CCSCCC CNP0150756.0 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.6 C=COCCCC CNP0077236.0 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.6 CC#CCCCO CNP0320046.0 [0,0,0,0,0,0|0,1,2]=3 11 B6R0.6 CC=CCCC=O CNP0056069.0 [0,0,0,0,0,0|0,1,3]=4 12 B6R0.6 CC=CCCCC CNP0158475.0 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.6 CC=CCCCO CNP0309139.0 [0,0,0,0,0,0|0,1,2]=3 14 B6R0.6 CC=CCSCC CNP0575773.0 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.6 CC=CSCCC CNP0320861.0 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.6 CCC#CCCO CNP0170517.0 [0,0,0,0,0,0|0,1,2]=3 17 B6R0.6 CCC=C=CCC CNP0518397.0 [0,0,0,0,0,0|1,0,3]=4 18 B6R0.6 CCC=CCC#N CNP0106706.0 [0,0,0,0,0,0|1,0,3]=4 19 B6R0.6 CCC=CCC=O CNP0227189.0 [0,0,0,0,0,0|0,1,3]=4 20 B6R0.6 CCC=CCCC CNP0391454.0 [0,0,0,0,0,0|1,0,2]=3 21 B6R0.6 CCC=CCCO CNP0255718.0 [0,0,0,0,0,0|0,1,2]=3 22 B6R0.6 CCCC#CCO CNP0314465.0 [0,0,0,0,0,0|0,1,2]=3 23 B6R0.6 CCCC=CC=O CNP0263913.0 [0,0,0,0,0,0|0,1,3]=4 24 B6R0.6 CCCC=CCO CNP0254124.0 [0,0,0,0,0,0|0,1,2]=3 25 B6R0.6 CCCC=CNO CNP0162409.0 [0,0,0,0,0,0|1,1,2]=4 26 B6R0.6 CCCCC=CO CNP0511187.0 [0,0,0,0,0,0|0,1,2]=3 27 B6R0.6 CCCCC=NO CNP0149695.0 [0,0,0,0,0,0|1,1,1]=3 28 B6R0.6 CCCCCC#N CNP0412353.0 [0,0,0,0,0,0|1,0,1]=2 29 B6R0.6 CCCCCC=O CNP0304790.0 [0,0,0,0,0,0|0,1,1]=2 30 B6R0.6 CCCCCCC CNP0290800.0 [0,0,0,0,0,0|1,0,0]=1 31 B6R0.6 CCCCCCN CNP0213933.0 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.6 CCCCCCO CNP0317600.0 [0,0,0,0,0,0|0,1,0]=1 33 B6R0.6 CCCCCCS CNP0167948.0 [0,0,0,0,0,0|0,0,0]=0 34 B6R0.6 CCCCCC[O-] CNP0579903.0 [0,0,0,0,0,0|0,1,0]=1 35 B6R0.6 CCCCCNC CNP0276164.0 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.6 CCCCCOC CNP0358174.0 [0,0,0,0,0,0|2,0,0]=2 37 B6R0.6 CCCCCSC CNP0293012.0 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.6 CCCCCSS CNP0228282.0 [0,0,0,0,0,0|1,0,0]=1 39 B6R0.6 CCCCN=C=S CNP0328773.0 [0,0,0,0,0,0|1,0,2]=3 40 B6R0.6 CCCCNC=O CNP0082472.0 [0,0,0,0,0,0|1,1,1]=3 41 B6R0.6 CCCCOC=O CNP0282325.0 [0,0,0,0,0,0|1,1,1]=3 42 B6R0.6 CCCCON=O CNP0003508.0 [0,0,0,0,0,0|2,1,0]=3 43 B6R0.6 CCCCSSC CNP0532819.0 [0,0,0,0,0,0|3,0,0]=3 44 B6R0.6 CCCNCCC CNP0129820.0 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.6 CCCOCCO CNP0079853.0 [0,0,0,0,0,0|1,1,0]=2 46 B6R0.6 CCCSCCC CNP0173387.0 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.6 CCCSSCC CNP0322971.0 [0,0,0,0,0,0|3,0,0]=3 48 B6R0.6 CCCSSSC CNP0104471.0 [0,0,0,0,0,0|4,0,0]=4 49 B6R0.6 CCOCCCO CNP0304052.0 [0,0,0,0,0,0|1,1,0]=2 50 B6R0.6 CCOCCCS CNP0267296.0 [0,0,0,0,0,0|1,0,0]=1 51 B6R0.6 CCSCCCO CNP0355297.0 [0,0,0,0,0,0|1,1,0]=2 52 B6R0.6 CCSSCSC CNP0003140.0 [0,0,0,0,0,0|4,0,0]=4 53 B6R0.6 CCSSSCC CNP0196220.0 [0,0,0,0,0,0|4,0,0]=4 54 B6R0.6 CNCCCCN CNP0157274.0 [0,0,0,0,0,0|2,0,0]=2 55 B6R0.6 COCC#CCO CNP0527985.0 [0,0,0,0,0,0|1,1,2]=4 56 B6R0.6 COCCCCO CNP0570905.0 [0,0,0,0,0,0|1,1,0]=2 57 B6R0.6 CSCCCC#N CNP0286857.0 [0,0,0,0,0,0|2,0,1]=3 58 B6R0.6 CSCCCC=O CNP0002814.0 [0,0,0,0,0,0|1,1,1]=3 59 B6R0.6 CSCCCCO CNP0002400.0 [0,0,0,0,0,0|1,1,0]=2 60 B6R0.6 CSCCCN=S CNP0092190.0 [0,0,0,0,0,0|2,0,1]=3 61 B6R0.6 CSCCN=C=S CNP0002691.0 [0,0,0,0,0,0|2,0,2]=4 62 B6R0.6 ClCCOCCCl CNP0082891.0 [0,0,0,0,0,0|3,0,0]=3 63 B6R0.6 N#CCCCC#N CNP0290374.0 [0,0,0,0,0,0|2,0,2]=4 64 B6R0.6 NCCCCC=O CNP0083786.0 [0,0,0,0,0,0|1,1,1]=3 65 B6R0.6 NCCCCCN CNP0184259.0 [0,0,0,0,0,0|2,0,0]=2 66 B6R0.6 NCCCCCO CNP0032450.0 [0,0,0,0,0,0|1,1,0]=2 67 B6R0.6 NCCOCCN CNP0447264.0 [0,0,0,0,0,0|3,0,0]=3 68 B6R0.6 O=CCCCC=O CNP0204417.0 [0,0,0,0,0,0|1,1,2]=4 69 B6R0.6 OCCCCCO CNP0201249.0 [0,0,0,0,0,0|1,1,0]=2 70 B6R0.6 OCCCN=C=S CNP0612043.0 [0,0,0,0,0,0|2,0,2]=4 71 B6R0.6 OCCNCCO CNP0247543.0 [0,0,0,0,0,0|2,1,0]=3 72 B6R0.6 OCCOCCO CNP0333860.0 [0,0,0,0,0,0|2,1,0]=3 73 B6R0.6 OCCSCCO CNP0335773.0 [0,0,0,0,0,0|2,1,0]=3 74 B6R0.6 [CH2-]CCCCC#[O+] CNP0596536.0 [0,0,0,0,0,0|0,1,2]=3 75 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|0,0,2]=3 76 B5R0.2 C=CCCCO CNP0003396.0 [1,0,0,0,0,0|0,1,2]=4 77 B5R0.2 C=CCSCC CNP0261096.0 [1,0,0,0,0,0|1,0,2]=4 78 B5R0.2 CC#CCCO CNP0515871.0 [1,0,0,0,0,0|0,1,2]=4 79 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|0,0,2]=3 80 B5R0.2 CC=CCCO CNP0253382.0 [1,0,0,0,0,0|0,1,2]=4 81 B5R0.2 CCC#CCO CNP0076027.0 [1,0,0,0,0,0|0,1,2]=4 82 B5R0.2 CCC=CCO CNP0239009.0 [1,0,0,0,0,0|0,1,2]=4 83 B5R0.2 CCC=CSC CNP0068372.0 [1,0,0,0,0,0|1,0,2]=4 84 B5R0.2 CCC=NNC CNP0543863.0 [1,0,0,0,0,0|2,0,1]=4 85 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|0,1,2]=4 86 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|1,1,1]=4 87 B5R0.2 CCCCC#N CNP0357663.0 [1,0,0,0,0,0|1,0,1]=3 88 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|0,1,1]=3 89 B5R0.2 CCCCCBr CNP0018690.0 [1,0,0,0,0,0|1,0,0]=2 90 B5R0.2 CCCCCC CNP0269021.0 [1,0,0,0,0,0|0,0,0]=1 91 B5R0.2 CCCCCI CNP0017763.0 [1,0,0,0,0,0|1,0,0]=2 92 B5R0.2 CCCCCN CNP0203183.0 [1,0,0,0,0,0|1,0,0]=2 93 B5R0.2 CCCCCO CNP0244882.0 [1,0,0,0,0,0|0,1,0]=2 94 B5R0.2 CCCCCS CNP0260876.0 [1,0,0,0,0,0|0,0,0]=1 95 B5R0.2 CCCCNC CNP0277639.0 [1,0,0,0,0,0|1,0,0]=2 96 B5R0.2 CCCCOC CNP0609033.0 [1,0,0,0,0,0|1,0,0]=2 97 B5R0.2 CCCCSC CNP0562965.0 [1,0,0,0,0,0|1,0,0]=2 98 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,0,0,0,0|1,1,0]=3 99 B5R0.2 CCCN=C=S CNP0077279.0 [1,0,0,0,0,0|1,0,2]=4 100 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|1,1,1]=4 101 B5R0.2 CCCSC#N CNP0395197.0 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.2 CCCSCC CNP0316215.0 [1,0,0,0,0,0|1,0,0]=2 103 B5R0.2 CCCSSC CNP0296815.0 [1,0,0,0,0,0|2,0,0]=3 104 B5R0.2 CCNCCN CNP0281269.0 [1,0,0,0,0,0|2,0,0]=3 105 B5R0.2 CCNCCO CNP0396370.0 [1,0,0,0,0,0|1,1,0]=3 106 B5R0.2 CCOCC#N CNP0184632.0 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.2 CCOCCO CNP0319988.0 [1,0,0,0,0,0|1,1,0]=3 108 B5R0.2 CCSCCN CNP0506731.0 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.2 CCSSCC CNP0416624.0 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.2 CCSSSC CNP0407481.0 [1,0,0,0,0,0|3,0,0]=4 111 B5R0.2 CNCCNC CNP0480039.0 [1,0,0,0,0,0|2,0,0]=3 112 B5R0.2 COCCOC CNP0144142.0 [1,0,0,0,0,0|2,0,0]=3 113 B5R0.2 CSCCC=O CNP0136743.0 [1,0,0,0,0,0|1,1,1]=4 114 B5R0.2 CSCCCN CNP0348726.0 [1,0,0,0,0,0|2,0,0]=3 115 B5R0.2 CSCCCO CNP0359993.0 [1,0,0,0,0,0|1,1,0]=3 116 B5R0.2 CSCSSC CNP0313036.0 [1,0,0,0,0,0|3,0,0]=4 117 B5R0.2 N#CCCCO CNP0358912.0 [1,0,0,0,0,0|1,1,1]=4 118 B5R0.2 NCCCC=O CNP0359033.0 [1,0,0,0,0,0|1,1,1]=4 119 B5R0.2 NCCCCN CNP0116270.0 [1,0,0,0,0,0|2,0,0]=3 120 B5R0.2 NCCCCO CNP0514594.0 [1,0,0,0,0,0|1,1,0]=3 121 B5R0.2 OCCCCBr CNP0083982.0 [1,0,0,0,0,0|1,1,0]=3 122 B5R0.2 OCCCCCl CNP0079807.0 [1,0,0,0,0,0|1,1,0]=3 123 B5R0.2 OCCCCO CNP0080008.0 [1,0,0,0,0,0|1,1,0]=3 124 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,0,0,0,0,0|1,0,1]=3 125 B7R0.1 C#CC=CCCCC CNP0076122.0 [0,1,0,0,0,0|1,0,2]=4 126 B7R0.1 C#CCCCCC#C CNP0602707.0 [0,1,0,0,0,0|1,0,2]=4 127 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,1,0,0,0,0|1,0,2]=4 128 B7R0.1 C=CCCCC=CC CNP0076717.0 [0,1,0,0,0,0|1,0,2]=4 129 B7R0.1 C=CCCCCC=C CNP0118215.0 [0,1,0,0,0,0|1,0,2]=4 130 B7R0.1 C=CCCCCCC CNP0246919.0 [0,1,0,0,0,0|1,0,0]=2 131 B7R0.1 C=CCCCCCO CNP0075956.0 [0,1,0,0,0,0|0,1,1]=3 132 B7R0.1 C=CCSSCCC CNP0170059.0 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.1 CC=CCCCCC CNP0199237.0 [0,1,0,0,0,0|1,0,1]=3 134 B7R0.1 CC=CCSCCC CNP0536250.0 [0,1,0,0,0,0|1,0,2]=4 135 B7R0.1 CCC#CCCCC CNP0602501.0 [0,1,0,0,0,0|1,0,1]=3 136 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,1,0,0,0,0|0,1,2]=4 137 B7R0.1 CCC=CCCCC CNP0084702.0 [0,1,0,0,0,0|1,0,1]=3 138 B7R0.1 CCC=CCCCO CNP0003503.0 [0,1,0,0,0,0|0,1,1]=3 139 B7R0.1 CCCC#CCCC CNP0381743.0 [0,1,0,0,0,0|1,0,1]=3 140 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,1,0,0,0,0|0,1,2]=4 141 B7R0.1 CCCC=CCCC CNP0541880.0 [0,1,0,0,0,0|1,0,1]=3 142 B7R0.1 CCCC=CCCO CNP0287313.0 [0,1,0,0,0,0|0,1,1]=3 143 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,1,0,0,0,0|0,1,2]=4 144 B7R0.1 CCCCC=CCO CNP0191159.0 [0,1,0,0,0,0|0,1,1]=3 145 B7R0.1 CCCCCCC#N CNP0186663.0 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.1 CCCCCCC=O CNP0243745.0 [0,1,0,0,0,0|0,1,0]=2 147 B7R0.1 CCCCCCCC CNP0286567.0 [0,1,0,0,0,0|1,0,0]=2 148 B7R0.1 CCCCCCCN CNP0186919.0 [0,1,0,0,0,0|1,0,0]=2 149 B7R0.1 CCCCCCCO CNP0329737.0 [0,1,0,0,0,0|0,1,0]=2 150 B7R0.1 CCCCCCNC CNP0413437.0 [0,1,0,0,0,0|1,0,0]=2 151 B7R0.1 CCCCCN=C=S CNP0391667.0 [0,1,0,0,0,0|0,0,2]=3 152 B7R0.1 CCCCCOC=O CNP0294368.0 [0,1,0,0,0,0|0,1,1]=3 153 B7R0.1 CCCCCOCC CNP0520137.0 [0,1,0,0,0,0|1,0,0]=2 154 B7R0.1 CCCCCON=O CNP0511882.0 [0,1,0,0,0,0|1,1,0]=3 155 B7R0.1 CCCCCSSC CNP0201479.0 [0,1,0,0,0,0|1,0,0]=2 156 B7R0.1 CCCCN=CC=S CNP0423600.0 [0,1,0,0,0,0|0,0,3]=4 157 B7R0.1 CCCCNCCO CNP0185911.0 [0,1,0,0,0,0|0,1,0]=2 158 B7R0.1 CCCCOCCO CNP0080154.0 [0,1,0,0,0,0|0,1,0]=2 159 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [0,1,0,0,0,0|0,0,3]=4 160 B7R0.1 CCCSSCCC CNP0328321.0 [0,1,0,0,0,0|2,0,0]=3 161 B7R0.1 CCCSSSCC CNP0094065.0 [0,1,0,0,0,0|3,0,0]=4 162 B7R0.1 CCCSSSSC CNP0552237.0 [0,1,0,0,0,0|3,0,0]=4 163 B7R0.1 CCNCCCCN CNP0107714.0 [0,1,0,0,0,0|1,0,0]=2 164 B7R0.1 CCNCCNCC CNP0103183.0 [0,1,0,0,0,0|2,0,0]=3 165 B7R0.1 CCSCSSCC CNP0079298.0 [0,1,0,0,0,0|3,0,0]=4 166 B7R0.1 CNCCCCCN CNP0390055.0 [0,1,0,0,0,0|1,0,0]=2 167 B7R0.1 CNCCCCNC CNP0145070.0 [0,1,0,0,0,0|2,0,0]=3 168 B7R0.1 COCCOCCO CNP0610336.0 [0,1,0,0,0,0|1,1,0]=3 169 B7R0.1 CSCCCC=NO CNP0610383.0 [0,1,0,0,0,0|1,1,1]=4 170 B7R0.1 CSCCCCC#N CNP0183103.0 [0,1,0,0,0,0|1,0,1]=3 171 B7R0.1 CSCCCN=C=S CNP0228923.0 [0,1,0,0,0,0|1,0,2]=4 172 B7R0.1 CSCSSCSC CNP0179583.0 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.1 N#CCCCCC#N CNP0109199.0 [0,1,0,0,0,0|1,0,2]=4 174 B7R0.1 NCCCCCCN CNP0230906.0 [0,1,0,0,0,0|1,0,0]=2 175 B7R0.1 NCCCCCCO CNP0568466.0 [0,1,0,0,0,0|0,1,0]=2 176 B7R0.1 NCCCCCNO CNP0455910.0 [0,1,0,0,0,0|1,1,0]=3 177 B7R0.1 NCCCNCCS CNP0050642.0 [0,1,0,0,0,0|1,0,0]=2 178 B7R0.1 NCCSSCCN CNP0340186.0 [0,1,0,0,0,0|3,0,0]=4 179 B7R0.1 OCCCCCCBr CNP0593386.0 [0,1,0,0,0,0|0,1,0]=2 180 B7R0.1 OCCCCCCO CNP0080019.0 [0,1,0,0,0,0|0,1,0]=2 181 B7R0.1 OCCCCCCS CNP0154751.0 [0,1,0,0,0,0|0,0,0]=1 182 B7R0.1 OCCCCN=C=S CNP0611896.0 [0,1,0,0,0,0|1,0,2]=4 183 B7R0.1 OCCCSCCO CNP0079791.0 [0,1,0,0,0,0|1,1,0]=3 184 B7R0.1 OCCSSCCO CNP0279278.0 [0,1,0,0,0,0|2,1,0]=4 185 B7R0.1 S=C=NCCCCS CNP0504519.0 [0,1,0,0,0,0|1,0,1]=3 186 B7R0.1 SCCCCCCS CNP0089642.0 [0,1,0,0,0,0|0,0,0]=1 187 B7R0.1 [CH2-]CCCCCC#[O+] CNP0489135.0 [0,1,0,0,0,0|0,1,1]=3 188 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,1,0,0,0,0|0,1,2]=4 189 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,1,0,0,0,0|1,0,1]=3 190 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,1,0,0,0,0|1,0,2]=4 191 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,1,0,0,0,0|1,0,1]=3 192 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [0,1,0,0,0,0|1,0,1]=3 193 B7R0.3 C=CCC[C@@H](Br)CBr CNP0342549.2 [0,1,0,0,0,0|1,0,2]=4 194 B7R0.3 C=CCC[C@H](Br)CBr CNP0342549.1 [0,1,0,0,0,0|1,0,2]=4 195 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [0,1,0,0,0,0|1,0,1]=3 196 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,1,0,0,0,0|2,0,1]=4 197 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,1,0,0,0,0|1,1,1]=4 198 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,1,0,0,0,0|0,1,0]=2 199 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,1,0,0,0,0|1,0,2]=4 200 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,1,0,0,0,0|1,0,1]=3 201 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,1,0,0,0,0|0,1,0]=2 203 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,1,0,0,0,0|0,1,0]=2 204 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,1,0,0,0,0|0,1,1]=3 205 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,1,0,0,0,0|1,0,0]=2 206 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,1,0,0,0,0|1,0,0]=2 207 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,1,0,0,0,0|0,1,0]=2 208 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [0,1,0,0,0,0|0,1,1]=3 209 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,1,0,0,0,0|1,0,0]=2 210 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [0,1,0,0,0,0|3,0,0]=4 211 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [0,1,0,0,0,0|3,0,0]=4 212 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,1,0,0,0,0|2,0,1]=4 213 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,1,0,0,0,0|2,0,0]=3 214 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,1,0,0,0,0|3,0,0]=4 215 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,1,0,0,0,0|0,1,2]=4 216 B7R0.3 CC[C@@H](O)C#CCO CNP0328022.1 [0,1,0,0,0,0|0,1,2]=4 217 B7R0.3 CC[C@H](C)CN=C=S CNP0333969.1 [0,1,0,0,0,0|1,0,2]=4 218 B7R0.3 CC[C@H](O)C#CCO CNP0328022.2 [0,1,0,0,0,0|0,1,2]=4 219 B7R0.3 CC[C@H](O)CSC#N CNP0143316.1 [0,1,0,0,0,0|2,0,1]=4 220 B7R0.3 CSC(C)CCC#N CNP0577108.0 [0,1,0,0,0,0|2,0,1]=4 221 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [0,1,0,0,0,0|1,1,0]=3 222 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [0,1,0,0,0,0|1,1,0]=3 223 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,1,0,0,0,0|0,1,1]=3 224 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,1,0,0,0,0|1,0,1]=3 225 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,1,0,0,0,0|0,1,2]=4 226 B7R0.4 CC(=O)OCCCS CNP0325111.0 [0,1,0,0,0,0|1,0,1]=3 227 B7R0.4 CC(C)CCCCO CNP0497904.0 [0,1,0,0,0,0|0,1,0]=2 228 B7R0.4 CC(C)CCN=C=S CNP0085995.0 [0,1,0,0,0,0|1,0,2]=4 229 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,1,0,0,0,0|1,1,1]=4 230 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,1,0,0,0,0|1,1,1]=4 231 B7R0.4 CC(C)CCON=O CNP0341686.0 [0,1,0,0,0,0|2,1,0]=4 232 B7R0.4 CC(O)CCCCO CNP0285438.0 [0,1,0,0,0,0|0,1,0]=2 233 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,1,0,0,0,0|0,1,2]=4 234 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,1,0,0,0,0|0,1,2]=4 235 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,1,0,0,0,0|0,1,2]=4 236 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,1,0,0,0,0|0,1,1]=3 237 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,1,0,0,0,0|0,1,1]=3 238 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,1,0,0,0,0|0,1,1]=3 239 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,1,0,0,0,0|0,0,2]=3 240 B7R0.4 CCCCCC(C)C CNP0146536.0 [0,1,0,0,0,0|1,0,0]=2 241 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,1,0,0,0,0|0,1,1]=3 242 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [0,1,0,0,0,0|1,0,0]=2 243 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [0,1,0,0,0,0|0,1,0]=2 244 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [0,1,0,0,0,0|0,0,0]=1 245 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [0,1,0,0,0,0|1,0,0]=2 246 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [0,1,0,0,0,0|0,1,0]=2 247 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [0,1,0,0,0,0|0,0,0]=1 248 B7R0.4 CCCCNC(=S)N CNP0137764.0 [0,1,0,0,0,0|1,0,2]=4 249 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,1,0,0,0,0|1,1,1]=4 250 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [0,1,0,0,0,0|2,1,0]=4 251 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [0,1,0,0,0,0|2,1,0]=4 252 B7R0.4 CCCNCC(C)C CNP0333564.0 [0,1,0,0,0,0|2,0,0]=3 253 B7R0.4 CCCSCC(C)C CNP0116113.0 [0,1,0,0,0,0|2,0,0]=3 254 B7R0.4 CCCSSC(C)C CNP0309421.0 [0,1,0,0,0,0|3,0,0]=4 255 B7R0.4 CCNCCC(C)C CNP0184897.0 [0,1,0,0,0,0|2,0,0]=3 256 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,1,0,0,0,0|1,1,1]=4 257 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,1,0,0,0,0|1,1,1]=4 258 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,1,0,0,0,0|2,0,0]=3 259 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,1,0,0,0,0|1,1,1]=4 260 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,1,0,0,0,0|1,1,1]=4 261 B7R0.4 C[S+]([O-])CCCC#N CNP0546785.0 [0,1,0,0,0,0|2,0,1]=4 262 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,1,0,0,0,0|1,1,1]=4 263 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,1,0,0,0,0|1,1,1]=4 264 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,1,0,0,0,0|1,1,1]=4 265 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [0,1,0,0,0,0|1,0,0]=2 266 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,1,0,0,0,0|1,0,1]=3 267 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,0,0,0,0|1,0,2]=4 268 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,1,0,0,0,0|1,0,2]=4 269 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,1,0,0,0,0|1,0,2]=4 270 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,1,0,0,0,0|1,0,1]=3 271 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,1,0,0,0,0|2,0,1]=4 272 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,1,0,0,0,0|2,0,1]=4 273 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,1,0,0,0,0|0,1,1]=3 274 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,1,0,0,0,0|1,0,0]=2 275 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,1,0,0,0,0|1,0,0]=2 276 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,1,0,0,0,0|0,1,0]=2 277 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,1,0,0,0,0|2,0,0]=3 278 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,1,0,0,0,0|0,1,0]=2 279 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,1,0,0,0,0|0,1,0]=2 280 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,1,0,0,0,0|2,0,0]=3 281 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,1,0,0,0,0|0,1,0]=2 282 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,1,0,0,0,0|1,0,1]=3 283 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,1,0,0,0,0|3,0,0]=4 284 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,1,0,0,0,0|3,0,0]=4 285 B7R0.7 CN(CCCl)CCCl CNP0187159.0 [0,1,0,0,0,0|3,0,0]=4 286 B7R0.7 COCC(O)COC CNP0241402.0 [0,1,0,0,0,0|3,0,0]=4 287 B7R0.7 OCCC(O)CCO CNP0198973.0 [0,1,0,0,0,0|1,1,0]=3 288 B7R0.7 [O-][S+](CCO)CCO CNP0606218.0 [0,1,0,0,0,0|2,1,0]=4 289 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,0,0,1,0,0|1,0,1]=3 290 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,0,0,1,0,0|1,0,0]=2 291 B7R1.1 CCC1OCCO1 CNP0566823.0 [0,0,0,1,0,0|1,1,0]=3 292 B7R1.1 COC1OCCO1 CNP0076084.0 [0,0,0,1,0,0|2,1,0]=4 293 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [0,0,0,1,0,0|2,0,0]=3 294 B7R1.1 O=CN1CCCC1 CNP0081536.0 [0,0,0,1,0,0|1,1,1]=4 295 B7R1.1 O=NN1CCCC1 CNP0169288.0 [0,0,0,1,0,0|2,1,0]=4 296 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [0,0,0,1,0,0|1,1,0]=3 297 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,0,0,1,0,0|1,1,0]=3 298 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [0,0,0,1,0,0|1,1,0]=3 299 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,0,0,1,0,0|1,1,0]=3 300 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,0,0,1,0,0|1,0,0]=2 301 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,0,1,0,0|1,0,1]=3 302 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,1,0,0|1,0,1]=3 303 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,0,0,1,0,0|1,0,0]=2 304 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,1,0,0|0,1,0]=2 305 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,0,0,1,0,0|2,0,0]=3 306 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,0,0,1,0,0|1,1,0]=3 307 B7R1.3 CC1SCCSS1 CNP0344509.0 [0,0,0,1,0,0|2,0,0]=3 308 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,0,0,1,0,0|2,0,0]=3 309 B7R1.3 CN1CCOCC1 CNP0225764.0 [0,0,0,1,0,0|3,0,0]=4 310 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,0,0,1,0,0|1,0,2]=4 311 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,0,0,1,0,0|1,0,0]=2 312 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [0,0,0,1,0,0|2,0,0]=3 313 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,0,0,1,0,0|1,0,0]=2 314 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,0,0,1,0,0|1,0,0]=2 315 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [0,0,0,1,0,0|2,0,0]=3 316 B7R1.3 C[C@H]1CSSSS1 CNP0251938.1 [0,0,0,1,0,0|3,0,0]=4 317 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,0,0,1,0,0|1,0,0]=2 318 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [0,0,0,1,0,0|2,0,1]=4 319 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,1,0,0|0,1,1]=3 320 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,0,1,0,0|1,1,1]=4 321 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,0,1,0,0|1,1,1]=4 322 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,0,1,0,0|1,1,1]=4 323 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,1,0,0|0,1,2]=4 324 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,0,0,1,0,0|1,1,1]=4 325 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,0,0,1,0,0|0,1,2]=4 326 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,0,0,1,0,0|0,1,0]=2 327 B7R1.3 OC1COCOC1 CNP0567932.0 [0,0,0,1,0,0|2,1,0]=4 328 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,0,0,1,0,0|0,1,2]=4 329 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,0,0,1,0,0|0,1,2]=4 330 B7R1.3 [O-][S+]1CCCSC1 CNP0547147.0 [0,0,0,1,0,0|2,1,0]=4 331 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,1,0,0|1,0,2]=4 332 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,1,0,0|1,0,2]=4 333 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,0,0,1,0,0|1,0,2]=4 334 B7R1.4 CC1COCC1=O CNP0611227.0 [0,0,0,1,0,0|1,1,1]=4 335 B7R1.4 CC1OCCC1O CNP0002607.0 [0,0,0,1,0,0|1,1,0]=3 336 B7R1.4 CC1OCCC1S CNP0002942.0 [0,0,0,1,0,0|1,0,0]=2 337 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,1,0,0|1,1,1]=4 338 B7R1.4 CC1SCCC1O CNP0179885.0 [0,0,0,1,0,0|1,1,0]=3 339 B7R1.4 CC1SCCC1S CNP0002610.0 [0,0,0,1,0,0|1,0,0]=2 340 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,1,0,0|1,1,1]=4 341 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|0,1,1]=3 342 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,0,0,1,0,0|1,0,0]=2 343 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,0,0,1,0,0|1,0,0]=2 344 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,0,0,1,0,0|0,1,0]=2 345 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|1,1,1]=4 346 B7R1.4 C[C@@H]1CSS[C@H]1C CNP0278388.1 [0,0,0,1,0,0|3,0,0]=4 347 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,1,0,0|1,1,1]=4 348 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|0,1,1]=3 349 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,0,0,1,0,0|1,0,0]=2 350 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|1,1,1]=4 351 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,1,0,0|1,1,1]=4 352 B7R1.4 N[C@@H]1CSC[C@@H]1O CNP0364292.4 [0,0,0,1,0,0|2,1,0]=4 353 B7R1.4 N[C@@H]1CSC[C@H]1O CNP0364292.3 [0,0,0,1,0,0|2,1,0]=4 354 B7R1.4 O=C1COCC1S CNP0188638.0 [0,0,0,1,0,0|2,0,1]=4 355 B7R1.4 OC1CCCC1O CNP0519159.0 [0,0,0,1,0,0|1,1,0]=3 356 B7R1.4 O[C@@H]1COC[C@@H]1O CNP0326371.1 [0,0,0,1,0,0|2,1,0]=4 357 B7R1.4 O[C@@H]1COC[C@H]1O CNP0326371.2 [0,0,0,1,0,0|2,1,0]=4 358 B7R1.4 O[C@H]1COC[C@@H]1O CNP0326371.3 [0,0,0,1,0,0|2,1,0]=4 359 B7R1.4 SC1CCCC1S CNP0098071.0 [0,0,0,1,0,0|1,0,0]=2 360 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,0,0,1,0,0|2,0,0]=3 361 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,0,0,1,0,0|0,0,0]=1 362 B7R1.7 CCCCC1CO1 CNP0608682.0 [0,0,0,1,0,0|0,1,0]=2 363 B7R1.7 N#CCC[C@H]1CS1 CNP0258017.1 [0,0,0,1,0,0|1,0,1]=3 364 B7R1.8 CCC1CCC1O CNP0521190.0 [0,0,0,1,0,0|0,1,0]=2 365 B7R1.24 C1CCCCCC1 CNP0223227.0 [0,0,0,1,0,0|1,0,0]=2 366 B7R1.24 C1COCOCO1 CNP0076298.0 [0,0,0,1,0,0|2,1,0]=4 367 B7R1.24 C1CSSSCS1 CNP0233647.0 [0,0,0,1,0,0|3,0,0]=4 368 B7R1.24 C1SCSSCS1 CNP0225166.0 [0,0,0,1,0,0|3,0,0]=4 369 B4R0.2 C#CCCC CNP0510243.0 [2,0,0,0,0,0|0,0,2]=4 370 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|0,0,2]=4 371 B4R0.2 CC#CCC CNP0516358.0 [2,0,0,0,0,0|0,0,2]=4 372 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|0,0,2]=4 373 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|0,0,2]=4 374 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,1,1]=4 375 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|0,0,0]=2 376 B4R0.2 CCCCI CNP0558480.0 [2,0,0,0,0,0|1,0,0]=3 377 B4R0.2 CCCCN CNP0597509.0 [2,0,0,0,0,0|1,0,0]=3 378 B4R0.2 CCCCO CNP0505612.0 [2,0,0,0,0,0|0,1,0]=3 379 B4R0.2 CCCCS CNP0598878.0 [2,0,0,0,0,0|0,0,0]=2 380 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|1,0,0]=3 381 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|1,0,0]=3 382 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|1,0,0]=3 383 B4R0.2 CCCSO CNP0594110.0 [2,0,0,0,0,0|1,1,0]=4 384 B4R0.2 CCNCC CNP0491960.0 [2,0,0,0,0,0|1,0,0]=3 385 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|1,0,0]=3 386 B4R0.2 CCSCC CNP0518873.0 [2,0,0,0,0,0|1,0,0]=3 387 B4R0.2 CCSSC CNP0571147.0 [2,0,0,0,0,0|2,0,0]=4 388 B4R0.2 CNCCN CNP0496542.0 [2,0,0,0,0,0|2,0,0]=4 389 B4R0.2 CNCCO CNP0513801.0 [2,0,0,0,0,0|1,1,0]=4 390 B4R0.2 COCCI CNP0495552.0 [2,0,0,0,0,0|2,0,0]=4 391 B4R0.2 COCCO CNP0561250.0 [2,0,0,0,0,0|1,1,0]=4 392 B4R0.2 COCC[Si] CNP0501162.0 [2,0,0,0,0,0|1,1,0]=4 393 B4R0.2 CSCCO CNP0574269.0 [2,0,0,0,0,0|1,1,0]=4 394 B4R0.2 CSCSC CNP0591427.0 [2,0,0,0,0,0|2,0,0]=4 395 B4R0.2 NCCCN CNP0566837.0 [2,0,0,0,0,0|2,0,0]=4 396 B4R0.2 NCCCO CNP0538228.0 [2,0,0,0,0,0|1,1,0]=4 397 B4R0.2 NCCCS CNP0560812.0 [2,0,0,0,0,0|1,0,0]=3 398 B4R0.2 OCCCBr CNP0506989.0 [2,0,0,0,0,0|1,1,0]=4 399 B4R0.2 OCCCO CNP0503416.0 [2,0,0,0,0,0|1,1,0]=4 400 B4R0.2 OCCCS CNP0586497.0 [2,0,0,0,0,0|1,0,0]=3 401 B4R0.2 SCCCS CNP0528691.0 [2,0,0,0,0,0|1,0,0]=3 402 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [2,0,0,0,0,0|1,0,1]=4 403 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [1,1,0,0,0,0|0,0,2]=4 404 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [1,1,0,0,0,0|0,0,2]=4 405 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,1,0,0,0,0|0,0,2]=4 406 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [1,1,0,0,0,0|0,0,2]=4 407 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,1,0,0,0,0|1,0,1]=4 408 B6R0.1 CCC(Br)CCBr CNP0612222.0 [1,1,0,0,0,0|1,0,0]=3 409 B6R0.1 CCC(C)CC=O CNP0531748.0 [1,1,0,0,0,0|0,1,1]=4 410 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,1,0,0,0,0|0,0,1]=3 411 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,1,0,0,0,0|0,1,1]=4 412 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,1,0,0,0,0|1,0,1]=4 413 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,1,0,0,0,0|1,0,1]=4 414 B6R0.1 CCCC(C)C#N CNP0583202.0 [1,1,0,0,0,0|1,0,1]=4 415 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [1,1,0,0,0,0|0,1,1]=4 416 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,1,0,0,0,0|0,0,0]=2 417 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [1,1,0,0,0,0|0,1,0]=3 418 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [1,1,0,0,0,0|1,0,0]=3 419 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,1,0,0,0,0|0,0,0]=2 420 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,1,0,0,0,0|0,0,0]=2 421 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [1,1,0,0,0,0|0,1,0]=3 422 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [1,1,0,0,0,0|1,0,0]=3 423 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,1,0,0,0,0|0,0,0]=2 424 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [1,1,0,0,0,0|2,0,0]=4 425 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,1,0,0,0,0|1,0,1]=4 426 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,1,0,0,0,0|1,0,1]=4 427 B6R0.1 CCOC(C)CC CNP0086282.0 [1,1,0,0,0,0|1,0,0]=3 428 B6R0.1 CCOC(C)OC CNP0612171.0 [1,1,0,0,0,0|2,0,0]=4 429 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,1,0,0,0,0|1,0,1]=4 430 B6R0.1 CCSC(C)SC CNP0611888.0 [1,1,0,0,0,0|2,0,0]=4 431 B6R0.1 CCSC(S)CC CNP0488688.0 [1,1,0,0,0,0|1,0,0]=3 432 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [1,1,0,0,0,0|0,1,0]=3 433 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [1,1,0,0,0,0|2,0,0]=4 434 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [1,1,0,0,0,0|0,1,0]=3 435 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [1,1,0,0,0,0|1,1,0]=4 436 B6R0.1 COC[C@H](O)CO CNP0105123.2 [1,1,0,0,0,0|1,1,0]=4 437 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [1,1,0,0,0,0|2,0,0]=4 438 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [1,1,0,0,0,0|2,0,0]=4 439 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [1,1,0,0,0,0|1,1,0]=4 440 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,1,0,0,0,0|1,0,1]=4 441 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,1,0,0,0,0|0,0,2]=4 442 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,1,0,0,0,0|1,0,1]=4 443 B6R0.4 CC(C)CCC#N CNP0386277.0 [1,1,0,0,0,0|1,0,1]=4 444 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,1,0,0,0,0|0,1,1]=4 445 B6R0.4 CC(C)CCCO CNP0344466.0 [1,1,0,0,0,0|0,1,0]=3 446 B6R0.4 CC(C)NCCN CNP0082470.0 [1,1,0,0,0,0|2,0,0]=4 447 B6R0.4 CC(C)NCCO CNP0141461.0 [1,1,0,0,0,0|1,1,0]=4 448 B6R0.4 CC(C)OCCO CNP0079907.0 [1,1,0,0,0,0|1,1,0]=4 449 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,1,0,0,0,0|0,0,2]=4 450 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,1,0,0,0,0|0,0,2]=4 451 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|0,0,2]=4 452 B6R0.4 CCCCB(O)O CNP0482760.0 [1,1,0,0,0,0|1,1,0]=4 453 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|0,0,1]=3 454 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,1,0,0,0,0|0,1,1]=4 455 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,1,0,0,0,0|0,1,1]=4 456 B6R0.4 CCCCC(C)C CNP0312749.0 [1,1,0,0,0,0|0,0,0]=2 457 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,1,0,0,0,0|0,1,1]=4 458 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,1,0,0,0,0|0,0,0]=2 459 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,1,0,0,0,0|0,0,0]=2 460 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,1,0,0,0,0|1,0,1]=4 461 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,1,0,0,0,0|1,0,1]=4 462 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,1,0,0,0,0|1,0,1]=4 463 B6R0.4 CCCSC(C)C CNP0228244.0 [1,1,0,0,0,0|1,0,0]=3 464 B6R0.4 CCCSC(C)S CNP0609747.0 [1,1,0,0,0,0|1,0,0]=3 465 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [1,1,0,0,0,0|2,0,0]=4 466 B6R0.4 CCNCC(C)C CNP0165310.0 [1,1,0,0,0,0|1,0,0]=3 467 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,1,0,0,0,0|1,0,0]=3 468 B6R0.4 CCSCC(C)C CNP0208462.0 [1,1,0,0,0,0|1,0,0]=3 469 B6R0.4 CCSSC(C)C CNP0003135.0 [1,1,0,0,0,0|2,0,0]=4 470 B6R0.4 CNCCC(C)C CNP0254439.0 [1,1,0,0,0,0|1,0,0]=3 471 B6R0.4 COCCC(C)C CNP0316382.0 [1,1,0,0,0,0|1,0,0]=3 472 B6R0.4 COCCN(C)C CNP0429553.0 [1,1,0,0,0,0|2,0,0]=4 473 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,1,0,0,0,0|1,0,1]=4 474 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,1,0,0,0,0|1,0,0]=3 475 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [1,1,0,0,0,0|2,0,0]=4 476 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [1,1,0,0,0,0|2,0,0]=4 477 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [0,2,0,0,0,0|1,0,0]=3 478 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [0,2,0,0,0,0|1,0,0]=3 479 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [0,2,0,0,0,0|1,0,0]=3 480 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [0,2,0,0,0,0|1,0,1]=4 481 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,2,0,0,0,0|1,0,1]=4 482 B8R0.1 CCCC(S)CCOC CNP0309037.0 [0,2,0,0,0,0|0,1,0]=3 483 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,2,0,0,0,0|1,0,0]=3 484 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,2,0,0,0,0|1,0,1]=4 485 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,2,0,0,0,0|1,0,0]=3 486 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,2,0,0,0,0|1,0,0]=3 487 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,2,0,0,0,0|1,0,1]=4 488 B8R0.1 CCCOC(C)OCC CNP0154058.0 [0,2,0,0,0,0|2,0,0]=4 489 B8R0.1 CCCS[S+]([O-])CCC CNP0505813.0 [0,2,0,0,0,0|2,0,0]=4 490 B8R0.1 CCCS[S@+]([O-])CCC CNP0505813.1 [0,2,0,0,0,0|2,0,0]=4 491 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,2,0,0,0,0|0,1,0]=3 492 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,2,0,0,0,0|0,1,1]=4 493 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,2,0,0,0,0|1,0,1]=4 494 B8R0.1 NCCCC(N)CC=O CNP0515515.0 [0,2,0,0,0,0|0,1,1]=4 495 B8R0.4 C#CCCCCCC#C CNP0595373.0 [0,2,0,0,0,0|1,0,1]=4 496 B8R0.4 C=CC=CCCCCC CNP0389218.0 [0,2,0,0,0,0|1,0,1]=4 497 B8R0.4 C=CCCCCCC=C CNP0320273.0 [0,2,0,0,0,0|1,0,1]=4 498 B8R0.4 C=CCCCCCC=O CNP0184185.0 [0,2,0,0,0,0|0,1,1]=4 499 B8R0.4 C=CCCCCCCC CNP0317850.0 [0,2,0,0,0,0|1,0,0]=3 500 B8R0.4 C=CCCCCCCO CNP0610530.0 [0,2,0,0,0,0|0,1,0]=3 501 B8R0.4 CC#CCCCCCC CNP0610539.0 [0,2,0,0,0,0|1,0,0]=3 502 B8R0.4 CC=C=CCCCCC CNP0555445.0 [0,2,0,0,0,0|1,0,1]=4 503 B8R0.4 CC=CCCCCC=O CNP0181844.0 [0,2,0,0,0,0|0,1,1]=4 504 B8R0.4 CC=CCCCCCC CNP0241269.0 [0,2,0,0,0,0|1,0,0]=3 505 B8R0.4 CC=CCCCCCO CNP0534658.0 [0,2,0,0,0,0|0,1,0]=3 506 B8R0.4 CCC=CCCCC=O CNP0002614.0 [0,2,0,0,0,0|0,1,1]=4 507 B8R0.4 CCC=CCCCCC CNP0539420.0 [0,2,0,0,0,0|1,0,0]=3 508 B8R0.4 CCC=CCCCCO CNP0192139.0 [0,2,0,0,0,0|0,1,0]=3 509 B8R0.4 CCCC#CCCCC CNP0399647.0 [0,2,0,0,0,0|1,0,0]=3 510 B8R0.4 CCCC=CCCCC CNP0594829.0 [0,2,0,0,0,0|1,0,0]=3 511 B8R0.4 CCCC=CCCCO CNP0085599.0 [0,2,0,0,0,0|0,1,0]=3 512 B8R0.4 CCCCC=CCC=O CNP0207183.0 [0,2,0,0,0,0|0,1,1]=4 513 B8R0.4 CCCCC=CCCO CNP0221419.0 [0,2,0,0,0,0|0,1,0]=3 514 B8R0.4 CCCCCC=CC=O CNP0192932.0 [0,2,0,0,0,0|0,1,1]=4 515 B8R0.4 CCCCCC=CCO CNP0113756.0 [0,2,0,0,0,0|0,1,0]=3 516 B8R0.4 CCCCCCC=CO CNP0605778.0 [0,2,0,0,0,0|0,1,0]=3 517 B8R0.4 CCCCCCC=NO CNP0389770.0 [0,2,0,0,0,0|0,1,0]=3 518 B8R0.4 CCCCCCCC#N CNP0112630.0 [0,2,0,0,0,0|1,0,0]=3 519 B8R0.4 CCCCCCCC=O CNP0146292.0 [0,2,0,0,0,0|0,1,0]=3 520 B8R0.4 CCCCCCCCC CNP0402619.0 [0,2,0,0,0,0|1,0,0]=3 521 B8R0.4 CCCCCCCCN CNP0065900.0 [0,2,0,0,0,0|1,0,0]=3 522 B8R0.4 CCCCCCCCO CNP0368614.0 [0,2,0,0,0,0|0,1,0]=3 523 B8R0.4 CCCCCCCNC CNP0216624.0 [0,2,0,0,0,0|1,0,0]=3 524 B8R0.4 CCCCCCCOO CNP0566054.0 [0,2,0,0,0,0|0,1,0]=3 525 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [0,2,0,0,0,0|0,1,0]=3 526 B8R0.4 CCCCCCN=C=S CNP0253332.0 [0,2,0,0,0,0|0,0,1]=3 527 B8R0.4 CCCCCCOC=O CNP0086211.0 [0,2,0,0,0,0|0,1,0]=3 528 B8R0.4 CCCCCCOCC CNP0609034.0 [0,2,0,0,0,0|0,1,0]=3 529 B8R0.4 CCCCCCSSC CNP0510251.0 [0,2,0,0,0,0|0,0,0]=2 530 B8R0.4 CCCCNCCCC CNP0203128.0 [0,2,0,0,0,0|1,0,0]=3 531 B8R0.4 CCCCOCCCC CNP0077266.0 [0,2,0,0,0,0|1,0,0]=3 532 B8R0.4 CCCCOCCCO CNP0141373.0 [0,2,0,0,0,0|0,1,0]=3 533 B8R0.4 CCCCSCCCC CNP0370059.0 [0,2,0,0,0,0|1,0,0]=3 534 B8R0.4 CCCCSSCCC CNP0003137.0 [0,2,0,0,0,0|1,0,0]=3 535 B8R0.4 CCCSSSCCC CNP0085911.0 [0,2,0,0,0,0|2,0,0]=4 536 B8R0.4 CCNCCCNCC CNP0239670.0 [0,2,0,0,0,0|1,0,0]=3 537 B8R0.4 CCOCCOCCO CNP0079970.0 [0,2,0,0,0,0|0,1,0]=3 538 B8R0.4 COCCOCCOC CNP0466646.0 [0,2,0,0,0,0|1,1,0]=4 539 B8R0.4 CSCCCCC=NO CNP0070910.0 [0,2,0,0,0,0|0,1,1]=4 540 B8R0.4 CSCCCCCC#N CNP0267304.0 [0,2,0,0,0,0|0,0,1]=3 541 B8R0.4 CSCCCCN=C=S CNP0241465.0 [0,2,0,0,0,0|0,0,2]=4 542 B8R0.4 CSCCCCSC#N CNP0216108.0 [0,2,0,0,0,0|1,0,0]=3 543 B8R0.4 N#CCCCCCC#N CNP0111004.0 [0,2,0,0,0,0|1,0,1]=4 544 B8R0.4 NCCCNCCCN CNP0609056.0 [0,2,0,0,0,0|1,0,0]=3 545 B8R0.4 NCCCOCCCN CNP0453820.0 [0,2,0,0,0,0|1,0,0]=3 546 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,2,0,0,0,0|0,1,1]=4 547 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [0,2,0,0,0,0|0,1,0]=3 548 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [0,2,0,0,0,0|0,1,0]=3 549 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,2,0,0,0,0|0,1,1]=4 550 B8R0.6 CCC(C)OCCCO CNP0593328.0 [0,2,0,0,0,0|0,1,0]=3 551 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,2,0,0,0,0|0,1,1]=4 552 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,2,0,0,0,0|1,0,0]=3 553 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,2,0,0,0,0|0,1,0]=3 554 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,2,0,0,0,0|0,1,1]=4 555 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,2,0,0,0,0|0,0,1]=3 556 B8R0.6 CCCCCC(S)SC CNP0002612.0 [0,2,0,0,0,0|0,0,0]=2 557 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,2,0,0,0,0|0,1,0]=3 558 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,2,0,0,0,0|1,0,0]=3 559 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,2,0,0,0,0|0,1,0]=3 560 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [0,2,0,0,0,0|0,1,0]=3 561 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,2,0,0,0,0|1,0,1]=4 562 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,2,0,0,0,0|1,1,0]=4 563 B8R0.6 CCCSSC(C)CC CNP0570615.0 [0,2,0,0,0,0|2,0,0]=4 564 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,2,0,0,0,0|0,1,0]=3 565 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,2,0,0,0,0|0,1,0]=3 566 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,2,0,0,0,0|1,0,1]=4 567 B8R0.6 COC(C)COCCCl CNP0537294.0 [0,2,0,0,0,0|2,0,0]=4 568 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [0,2,0,0,0,0|0,1,1]=4 569 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [0,2,0,0,0,0|0,1,0]=3 570 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [0,2,0,0,0,0|1,0,1]=4 571 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [0,2,0,0,0,0|1,0,0]=3 572 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [0,2,0,0,0,0|1,0,1]=4 573 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,2,0,0,0,0|0,1,0]=3 574 B8R0.7 CC(C)CCCCCO CNP0090200.0 [0,2,0,0,0,0|0,1,0]=3 575 B8R0.7 CC(C)CCCN=C=S CNP0076170.0 [0,2,0,0,0,0|0,0,2]=4 576 B8R0.7 CC(C)OCCCCO CNP0461229.0 [0,2,0,0,0,0|0,1,0]=3 577 B8R0.7 CCCCC#CC(C)C CNP0611973.0 [0,2,0,0,0,0|1,0,1]=4 578 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [0,2,0,0,0,0|0,1,1]=4 579 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [0,2,0,0,0,0|1,0,1]=4 580 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [0,2,0,0,0,0|0,1,1]=4 581 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,2,0,0,0,0|0,1,0]=3 582 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,2,0,0,0,0|0,1,0]=3 583 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,2,0,0,0,0|0,1,0]=3 584 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,2,0,0,0,0|0,1,0]=3 585 B8R0.7 CCCCCCC(C)C CNP0161146.0 [0,2,0,0,0,0|1,0,0]=3 586 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [0,2,0,0,0,0|1,0,0]=3 587 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [0,2,0,0,0,0|0,1,0]=3 588 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [0,2,0,0,0,0|1,0,0]=3 589 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [0,2,0,0,0,0|0,1,0]=3 590 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [0,2,0,0,0,0|0,1,0]=3 591 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [0,2,0,0,0,0|0,1,0]=3 592 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,2,0,0,0,0|0,1,1]=4 593 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,2,0,0,0,0|0,1,1]=4 594 B8R0.7 CCCCOCC(C)O CNP0506345.0 [0,2,0,0,0,0|0,1,0]=3 595 B8R0.7 CCCCSSC(C)C CNP0003138.0 [0,2,0,0,0,0|2,0,0]=4 596 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,2,0,0,0,0|0,1,1]=4 597 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [0,2,0,0,0,0|1,0,1]=4 598 B8R0.7 C[C@H](N)CNCCCN CNP0150117.1 [0,2,0,0,0,0|1,0,0]=3 599 B8R0.7 C[S+]([O-])CCCCC#N CNP0595821.0 [0,2,0,0,0,0|1,0,1]=4 600 B8R0.7 C[S@@+]([O-])CCCCC#N CNP0595821.1 [0,2,0,0,0,0|1,0,1]=4 601 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,2,0,0,0,0|0,1,1]=4 602 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,2,0,0,0,0|0,1,1]=4 603 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,2,0,0,0,0|1,0,1]=4 604 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,2,0,0,0,0|1,0,1]=4 605 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [0,2,0,0,0,0|1,0,0]=3 606 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [0,2,0,0,0,0|1,0,0]=3 607 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,2,0,0,0,0|1,0,1]=4 608 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [0,2,0,0,0,0|1,0,0]=3 609 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [0,2,0,0,0,0|1,0,0]=3 610 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [0,2,0,0,0,0|1,0,0]=3 611 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [0,2,0,0,0,0|1,0,0]=3 612 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,2,0,0,0,0|1,0,1]=4 613 B8R0.3 OCC[C@H](O)[C@H](O)CO CNP0216984.1 [0,2,0,0,0,0|1,1,0]=4 614 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [0,2,0,0,0,0|1,0,1]=4 615 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [0,2,0,0,0,0|0,1,1]=4 616 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [0,2,0,0,0,0|0,1,1]=4 617 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,2,0,0,0,0|0,1,0]=3 618 B8R0.8 CCCCC(O)C(C)C CNP0610502.0 [0,2,0,0,0,0|1,0,0]=3 619 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,2,0,0,0,0|0,1,1]=4 620 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,2,0,0,0,0|0,1,1]=4 621 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,2,0,0,0,0|0,1,1]=4 622 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,2,0,0,0,0|0,1,1]=4 623 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [0,2,0,0,0,0|1,0,0]=3 624 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,2,0,0,0,0|0,1,1]=4 625 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,2,0,0,0,0|0,1,1]=4 626 B8R0.8 C[C@@H](O)[C@@H](O)CCCO CNP0149888.3 [0,2,0,0,0,0|0,1,0]=3 627 B8R0.8 C[C@@H](O)[C@H](O)CCCO CNP0149888.1 [0,2,0,0,0,0|0,1,0]=3 628 B8R0.8 C[C@H](O)[C@@H](O)CCC=O CNP0343668.1 [0,2,0,0,0,0|0,1,1]=4 629 B8R0.8 C[C@H](O)[C@@H](O)CCCO CNP0149888.2 [0,2,0,0,0,0|0,1,0]=3 630 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [0,2,0,0,0,0|1,0,1]=4 631 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [0,2,0,0,0,0|0,1,1]=4 632 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,2,0,0,0,0|0,1,1]=4 633 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [0,2,0,0,0,0|1,0,0]=3 634 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [0,2,0,0,0,0|0,1,0]=3 635 B8R0.9 CCC(O)CCC(C)C CNP0554641.0 [0,2,0,0,0,0|1,0,0]=3 636 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,2,0,0,0,0|0,1,1]=4 637 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,2,0,0,0,0|0,1,1]=4 638 B8R0.9 CC[C@H](C)CNC(=N)S CNP0608891.1 [0,2,0,0,0,0|1,0,1]=4 639 B8R0.11 CCC(CO)CCNC CNP0141963.0 [0,2,0,0,0,0|1,1,0]=4 640 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [0,2,0,0,0,0|1,0,1]=4 641 B8R0.11 CCCCC(C#N)CC CNP0320683.0 [0,2,0,0,0,0|1,0,0]=3 642 B8R0.11 CCCCC(CC)CS CNP0002408.0 [0,2,0,0,0,0|0,0,0]=2 643 B8R0.11 CCCCC(OC)OC CNP0417281.0 [0,2,0,0,0,0|2,0,0]=4 644 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [0,2,0,0,0,0|1,0,0]=3 645 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [0,2,0,0,0,0|0,1,0]=3 646 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [0,2,0,0,0,0|1,0,0]=3 647 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [0,2,0,0,0,0|0,1,0]=3 648 B8R0.11 CCN(CC)CCCO CNP0600087.0 [0,2,0,0,0,0|1,1,0]=4 649 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,2,0,0,0,0|1,0,1]=4 650 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,2,0,0,0,0|1,0,1]=4 651 B8R0.19 CCC(C)CC(C)CO CNP0072771.0 [0,2,0,0,0,0|0,1,0]=3 652 B8R0.19 CCC(S)SC(S)CC CNP0098447.0 [0,2,0,0,0,0|2,0,0]=4 653 B8R0.19 CC[C@@H](C)C[C@@H](C)CC CNP0385244.1 [0,2,0,0,0,0|1,0,0]=3 654 B8R0.19 CC[C@H](C)C[C@H](O)CC CNP0324526.1 [0,2,0,0,0,0|1,0,0]=3 655 B8R0.19 OC[C@@H](O)C[C@H](O)CO CNP0338716.1 [0,2,0,0,0,0|1,1,0]=4 656 B8R0.25 CCCCC(C)(C)C=O CNP0548345.0 [0,2,0,0,0,0|0,1,1]=4 657 B8R0.25 CCCC[Si](Cl)(Cl)CC CNP0222003.0 [0,2,0,0,0,0|1,1,0]=4 658 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,2,0,0,0,0|1,0,1]=4 659 B8R0.5 C=CC[C@@H](O)C[C@@H](C)O CNP0069442.4 [0,2,0,0,0,0|1,0,1]=4 660 B8R0.5 C=CC[C@@H](O)C[C@H](C)O CNP0069442.3 [0,2,0,0,0,0|1,0,1]=4 661 B8R0.5 C=CC[C@H](O)C[C@@H](C)O CNP0069442.1 [0,2,0,0,0,0|1,0,1]=4 662 B8R0.5 C=CC[C@H](O)C[C@H](C)O CNP0069442.2 [0,2,0,0,0,0|1,0,1]=4 663 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,2,0,0,0,0|1,0,1]=4 664 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,2,0,0,0,0|0,1,1]=4 665 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [0,2,0,0,0,0|1,0,0]=3 666 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [0,2,0,0,0,0|0,1,0]=3 667 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,2,0,0,0,0|0,1,1]=4 668 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,2,0,0,0,0|0,1,1]=4 669 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,2,0,0,0,0|0,1,1]=4 670 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,2,0,0,0,0|1,0,1]=4 671 B8R0.5 CCSC(C)SC(C)S CNP0609795.0 [0,2,0,0,0,0|2,0,0]=4 672 B8R0.21 CC(C)(C)OCCCN CNP0186216.0 [0,2,0,0,0,0|2,0,0]=4 673 B8R0.21 CCCCCC(C)(C)S CNP0505610.0 [0,2,0,0,0,0|0,0,0]=2 674 B8R0.21 ClCCCCC(Cl)(Cl)Cl CNP0594266.0 [0,2,0,0,0,0|2,0,0]=4 675 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [0,2,0,0,0,0|0,1,1]=4 676 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,2,0,0,0,0|0,1,1]=4 677 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [0,2,0,0,0,0|1,0,1]=4 678 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,2,0,0,0,0|0,1,1]=4 679 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,2,0,0,0,0|0,1,1]=4 680 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,2,0,0,0,0|0,0,1]=3 681 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [0,2,0,0,0,0|1,0,0]=3 682 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [0,2,0,0,0,0|1,0,0]=3 683 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [0,2,0,0,0,0|1,0,0]=3 684 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [0,2,0,0,0,0|0,1,0]=3 685 B8R0.28 CC(C)CNCC(C)C CNP0347227.0 [0,2,0,0,0,0|2,0,0]=4 686 B8R0.28 CC(C)COCC(C)C CNP0126629.0 [0,2,0,0,0,0|2,0,0]=4 687 B8R0.28 CC(O)COCC(C)O CNP0610078.0 [0,2,0,0,0,0|1,1,0]=4 688 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,2,0,0,0,0|0,1,1]=4 689 B8R0.22 CCCC(=NO)CCC CNP0366648.0 [0,2,0,0,0,0|1,0,1]=4 690 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [0,2,0,0,0,0|0,1,1]=4 691 B8R0.22 CCCC(CO)CCC CNP0538708.0 [0,2,0,0,0,0|1,0,0]=3 692 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [0,2,0,0,0,0|2,0,0]=4 693 B8R0.22 CCC[C@@H](CCO)SC CNP0238313.1 [0,2,0,0,0,0|0,1,0]=3 694 B8R0.30 CCCP(=S)(C)CCC CNP0210632.0 [0,2,0,0,0,0|2,0,0]=4 695 B8R0.30 CCCS(=O)(=O)CCC CNP0537279.0 [0,2,0,0,0,0|2,0,0]=4 696 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|0,0,2]=4 697 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,1,0,0|1,0,1]=4 698 B6R1.1 C1CCCCC1 CNP0220772.0 [1,0,0,1,0,0|0,0,0]=2 699 B6R1.1 C1CCNCC1 CNP0153358.0 [1,0,0,1,0,0|1,0,0]=3 700 B6R1.1 C1CCOCC1 CNP0484551.0 [1,0,0,1,0,0|0,1,0]=3 701 B6R1.1 C1CNCCN1 CNP0389558.0 [1,0,0,1,0,0|2,0,0]=4 702 B6R1.1 C1CNCCN1 CNP0554301.0 [1,0,0,1,0,0|2,0,0]=4 703 B6R1.1 C1COCCN1 CNP0167865.0 [1,0,0,1,0,0|1,1,0]=4 704 B6R1.1 C1COCCO1 CNP0353166.0 [1,0,0,1,0,0|1,1,0]=4 705 B6R1.1 C1COCSC1 CNP0517977.0 [1,0,0,1,0,0|1,0,0]=3 706 B6R1.1 C1CSCCS1 CNP0316640.0 [1,0,0,1,0,0|1,0,0]=3 707 B6R1.1 C1CSCSC1 CNP0221424.0 [1,0,0,1,0,0|1,0,0]=3 708 B6R1.1 C1CSSCS1 CNP0173795.0 [1,0,0,1,0,0|2,0,0]=4 709 B6R1.1 C1CSSSC1 CNP0124260.0 [1,0,0,1,0,0|2,0,0]=4 710 B6R1.1 C1SCSCS1 CNP0146146.0 [1,0,0,1,0,0|2,0,0]=4 711 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,1,0,0|0,0,2]=4 712 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|0,0,2]=4 713 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,1,0,0|0,0,2]=4 714 B6R1.2 CC1=NCCS1 CNP0225264.0 [1,0,0,1,0,0|1,0,1]=4 715 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,1,0,0|0,0,2]=4 716 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,1,0,0|0,0,0]=2 717 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,1,0,0|0,1,0]=3 718 B6R1.2 CC1OCCO1 CNP0611683.0 [1,0,0,1,0,0|1,1,0]=4 719 B6R1.2 CC1SCCS1 CNP0002932.0 [1,0,0,1,0,0|1,0,0]=3 720 B6R1.2 CN1CCCC1 CNP0395436.0 [1,0,0,1,0,0|1,0,0]=3 721 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [1,0,0,1,0,0|1,0,0]=3 722 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [1,0,0,1,0,0|1,0,0]=3 723 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [1,0,0,1,0,0|1,0,0]=3 724 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [1,0,0,1,0,0|1,0,1]=4 725 B6R1.2 NN1CCCC1 CNP0577233.0 [1,0,0,1,0,0|2,0,0]=4 726 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|0,1,1]=4 727 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|1,0,1]=4 728 B6R1.2 OC1CCCC1 CNP0085994.0 [1,0,0,1,0,0|0,1,0]=3 729 B6R1.2 SC1CCCC1 CNP0280825.0 [1,0,0,1,0,0|0,0,0]=2 730 B6R1.2 SC1CCCS1 CNP0002503.0 [1,0,0,1,0,0|1,0,0]=3 731 B6R1.3 CCCC1CC1 CNP0506060.0 [1,0,0,1,0,0|0,0,0]=2 732 B6R1.3 N#CC[C@@H]1CS1 CNP0134968.2 [1,0,0,1,0,0|1,0,1]=4 733 B6R1.3 N#CC[C@H]1CS1 CNP0134968.1 [1,0,0,1,0,0|1,0,1]=4 734 B6R1.3 NCCN1CC1 CNP0522628.0 [1,0,0,1,0,0|2,0,0]=4 735 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|0,1,1]=4 736 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [1,0,0,1,0,0|1,0,0]=3 737 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [1,0,0,1,0,0|0,0,0]=2 738 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,1,0,1,0,0|1,0,1]=4 739 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,1,0,1,0,0|1,0,0]=3 740 B8R1.2 CCC1CCCCC1 CNP0300322.0 [0,1,0,1,0,0|1,0,0]=3 741 B8R1.2 CCN1CCOCC1 CNP0382188.0 [0,1,0,1,0,0|2,0,0]=4 742 B8R1.2 CC[C@@H]1C=CCSS1 CNP0292362.1 [0,1,0,1,0,0|0,0,2]=4 743 B8R1.2 CC[C@@H]1CC=CSS1 CNP0334028.1 [0,1,0,1,0,0|0,0,2]=4 744 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,1,0,1,0,0|0,1,0]=3 745 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,1,0,1,0,0|1,0,0]=3 746 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,1,0,1,0,0|0,1,0]=3 747 B8R1.2 CNC1CCCCC1 CNP0474937.0 [0,1,0,1,0,0|1,0,0]=3 748 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,1,0,1,0,0|1,0,1]=4 749 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [0,1,0,1,0,0|1,0,1]=4 750 B8R1.2 NCC1CCCCC1 CNP0581484.0 [0,1,0,1,0,0|1,0,0]=3 751 B8R1.2 NCC1CCOCC1 CNP0398955.0 [0,1,0,1,0,0|1,0,0]=3 752 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,1,0,1,0,0|0,1,0]=3 753 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,1,0,1,0,0|0,1,1]=4 754 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [0,1,0,1,0,0|1,1,0]=4 755 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,1,0,1,0,0|0,1,1]=4 756 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,1,0,1,0,0|0,1,1]=4 757 B8R1.2 OCC1CCCCN1 CNP0335046.0 [0,1,0,1,0,0|0,1,0]=3 758 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [0,1,0,1,0,0|0,1,1]=4 759 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [0,1,0,1,0,0|0,1,0]=3 760 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [0,1,0,1,0,0|0,1,1]=4 761 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [0,1,0,1,0,0|0,1,0]=3 762 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [0,1,0,1,0,0|0,1,0]=3 763 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [0,1,0,1,0,0|0,1,1]=4 764 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [0,1,0,1,0,0|1,0,0]=3 765 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,1,0,1,0,0|1,0,0]=3 766 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,1,0,1,0,0|0,1,1]=4 767 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,1,0,0|1,0,1]=4 768 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,1,0,0|0,1,0]=3 769 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,1,0,1,0,0|0,1,0]=3 770 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|0,1,1]=4 771 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [0,1,0,1,0,0|1,0,0]=3 772 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [0,1,0,1,0,0|1,0,0]=3 773 B8R1.5 N[C@@H]1CCCC[C@@H]1O CNP0462389.2 [0,1,0,1,0,0|0,1,0]=3 774 B8R1.5 N[C@@H]1CCCC[C@H]1O CNP0462389.4 [0,1,0,1,0,0|0,1,0]=3 775 B8R1.5 N[C@H]1CCCC[C@@H]1O CNP0462389.1 [0,1,0,1,0,0|0,1,0]=3 776 B8R1.5 N[C@H]1CCCC[C@H]1O CNP0462389.3 [0,1,0,1,0,0|0,1,0]=3 777 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,1,0,0|0,1,1]=4 778 B8R1.5 O[C@@H]1CCCC[C@@H]1O CNP0125386.2 [0,1,0,1,0,0|0,1,0]=3 779 B8R1.5 O[C@@H]1CCCC[C@H]1Cl CNP0338357.1 [0,1,0,1,0,0|0,1,0]=3 780 B8R1.5 O[C@@H]1CCCC[C@H]1O CNP0125386.1 [0,1,0,1,0,0|0,1,0]=3 781 B8R1.5 O[C@H]1CCCC[C@@H]1O CNP0125386.3 [0,1,0,1,0,0|0,1,0]=3 782 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,1,0,1,0,0|1,0,1]=4 783 B8R1.8 CCCC1CCCC1 CNP0271421.0 [0,1,0,1,0,0|1,0,0]=3 784 B8R1.8 CCCC1CCSS1 CNP0313862.0 [0,1,0,1,0,0|0,0,0]=2 785 B8R1.8 CCCC1NCCS1 CNP0002551.0 [0,1,0,1,0,0|0,0,0]=2 786 B8R1.8 CCCN1OCCO1 CNP0257167.0 [0,1,0,1,0,0|1,1,0]=4 787 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [0,1,0,1,0,0|1,0,0]=3 788 B8R1.9 CC1SC1CCC#N CNP0082792.0 [0,1,0,1,0,0|1,0,1]=4 789 B8R1.10 CCCCC1CCC1 CNP0281769.0 [0,1,0,1,0,0|1,0,0]=3 790 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,1,0,1,0,0|1,0,1]=4 791 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,1,0,1,0,0|0,1,0]=3 792 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,1,0,1,0,0|0,0,1]=3 793 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,1,0,1,0,0|0,1,1]=4 795 B8R1.11 OC[C@H]1NCC[C@@H]1O CNP0110769.1 [0,1,0,1,0,0|1,1,0]=4 796 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,1,0,1,0,0|1,0,0]=3 797 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,1,0,1,0,0|1,0,1]=4 798 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,1,0,1,0,0|1,0,1]=4 799 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,1,0,1,0,0|0,1,0]=3 800 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,1,0,1,0,0|0,1,1]=4 801 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,1,0,1,0,0|0,1,1]=4 802 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,1,0,1,0,0|0,1,1]=4 803 B8R1.22 O[C@@H]1CNCCOC1 CNP0237299.1 [0,1,0,1,0,0|1,1,0]=4 804 B8R1.36 CCCCCC1CC1 CNP0610547.0 [0,1,0,1,0,0|1,0,0]=3 805 B8R1.36 CCCOCC1CO1 CNP0085753.0 [0,1,0,1,0,0|0,1,0]=3 806 B8R1.36 N#CCCC[C@H]1CS1 CNP0273996.1 [0,1,0,1,0,0|0,0,1]=3 807 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [0,1,0,1,0,0|1,0,0]=3 808 B8R1.1 CC1CCC(O1)CO CNP0511633.0 [0,1,0,1,0,0|0,1,0]=3 809 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [0,1,0,1,0,0|0,1,0]=3 810 B8R1.1 CCC1N=CC(S1)C CNP0612180.0 [0,1,0,1,0,0|1,0,1]=4 811 B8R1.1 CCC1SCC(S1)C CNP0611981.0 [0,1,0,1,0,0|1,0,0]=3 812 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,1,0,0|0,1,1]=4 813 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [0,1,0,1,0,0|1,0,0]=3 814 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [0,1,0,1,0,0|1,0,0]=3 815 B8R1.1 CC[C@@H]1SS[C@@H](S1)C CNP0113400.1 [0,1,0,1,0,0|2,0,0]=4 816 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,1,0,0|0,1,1]=4 817 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [0,1,0,1,0,0|0,1,1]=4 818 B8R1.1 OC[C@H]1CC[C@@H](C1)O CNP0523551.1 [0,1,0,1,0,0|0,1,0]=3 819 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,1,0,0|0,1,1]=4 820 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,1,0,0|0,1,1]=4 821 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [0,1,0,1,0,0|2,0,0]=4 822 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [0,1,0,1,0,0|0,0,0]=2 823 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [0,1,0,1,0,0|1,0,0]=3 824 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [0,1,0,1,0,0|0,1,0]=3 825 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [0,1,0,1,0,0|1,0,0]=3 826 B8R1.3 OC1CSC(CS1)O CNP0309516.0 [0,1,0,1,0,0|2,0,0]=4 827 B8R1.40 C[C@H](C=O)CC1CC1 CNP0511698.1 [0,1,0,1,0,0|0,1,1]=4 828 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,1,0,1,0,0|0,1,1]=4 829 B8R1.50 CC1[C@@H](CC[C@H]1C)C CNP0152607.1 [0,1,0,1,0,0|1,0,0]=3 830 B8R1.50 CN1CCC(C1O)O CNP0479127.0 [0,1,0,1,0,0|1,1,0]=4 831 B8R1.50 C[C@@H]1[C@@H](CC[C@@H]1C)C CNP0152607.3 [0,1,0,1,0,0|1,0,0]=3 832 B8R1.50 C[C@H]1CC[C@H]([C@@H]1O)O CNP0330167.1 [0,1,0,1,0,0|0,1,0]=3 833 B8R1.50 C[C@H]1[C@@H](CC[C@@H]1C)C CNP0152607.2 [0,1,0,1,0,0|1,0,0]=3 834 B8R1.52 CCC1(CCCC1)C CNP0310915.0 [0,1,0,1,0,0|1,0,0]=3 835 B8R1.52 OC[C@]1(CCCO1)O CNP0357577.1 [0,1,0,1,0,0|1,1,0]=4 836 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,1,0,0|1,0,1]=4 837 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,1,0,1,0,0|1,0,1]=4 838 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,1,0,1,0,0|0,1,1]=4 839 B8R1.4 CC1NC(SCS1)C CNP0059396.0 [0,1,0,1,0,0|2,0,0]=4 840 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|0,1,1]=4 841 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|0,1,1]=4 842 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [0,1,0,1,0,0|1,0,0]=3 843 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,1,0,1,0,0|0,1,0]=3 844 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [0,1,0,1,0,0|1,0,0]=3 845 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [0,1,0,1,0,0|1,0,0]=3 846 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,1,0,1,0,0|0,1,0]=3 847 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [0,1,0,1,0,0|1,0,0]=3 848 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|0,1,1]=4 849 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|0,1,1]=4 850 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,1,0,1,0,0|0,1,0]=3 851 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,1,0,1,0,0|0,1,0]=3 852 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,1,0,1,0,0|1,1,0]=4 853 B8R1.4 C[C@H]1SSC[C@@H](S1)C CNP0523637.1 [0,1,0,1,0,0|2,0,0]=4 854 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,1,0,1,0,0|1,0,1]=4 855 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [0,1,0,1,0,0|1,0,1]=4 856 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [0,1,0,1,0,0|1,0,0]=3 857 B8R1.7 CC(C)C1OCCO1 CNP0538758.0 [0,1,0,1,0,0|1,1,0]=4 858 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [0,1,0,1,0,0|0,1,0]=3 859 B8R1.7 ClC(Cl)C1CCCO1 CNP0605989.0 [0,1,0,1,0,0|1,1,0]=4 860 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,1,0,1,0,0|0,1,1]=4 861 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,1,0,1,0,0|1,0,1]=4 862 B8R1.7 S=C(S)N1CCCC1 CNP0337104.0 [0,1,0,1,0,0|1,0,1]=4 863 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,1,0,1,0,0|0,1,1]=4 864 B8R1.19 CC1(CCC[C@@H]1O)C CNP0549501.1 [0,1,0,1,0,0|0,1,0]=3 865 B8R1.19 CC1(CCC[C@H]1O)C CNP0549501.2 [0,1,0,1,0,0|0,1,0]=3 866 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [0,1,0,1,0,0|1,1,0]=4 867 B8R1.19 C[C@H]1CCCC1(C)C CNP0142130.1 [0,1,0,1,0,0|1,0,0]=3 868 B8R1.35 CC(C)OCC1CO1 CNP0071169.0 [0,1,0,1,0,0|1,1,0]=4 869 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [0,1,0,1,0,0|1,0,0]=3 870 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [0,1,0,1,0,0|0,1,0]=3 871 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [0,1,0,1,0,0|1,0,1]=4 872 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [0,1,0,1,0,0|1,0,1]=4 873 B8R1.72 C[N+]1(CCCCC1)[O-] CNP0052569.0 [0,1,0,1,0,0|1,1,0]=4 874 B8R1.18 CC1C[C@H]([C@@H](C1)C)C CNP0321029.2 [0,1,0,1,0,0|1,0,0]=3 875 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C CNP0321029.1 [0,1,0,1,0,0|1,0,0]=3 876 B8R1.37 CCCC(C)C1CO1 CNP0076696.0 [0,1,0,1,0,0|0,1,0]=3 877 B8R1.37 N#CC[C@@H](O)[C@H]1CS1 CNP0118690.2 [0,1,0,1,0,0|1,0,1]=4 878 B8R1.37 N#CC[C@H](O)[C@H]1CS1 CNP0118690.1 [0,1,0,1,0,0|1,0,1]=4 879 B8R2.11 C=C1C2C1CCC2 CNP0538845.0 [0,0,0,2,0,0|1,0,1]=4 880 B8R2.22 C1=C[C@@H]2[C@H]1CCC2 CNP0231312.1 [0,0,0,2,0,0|1,0,1]=4 881 B8R2.34 C1CC2OCC1O2 CNP0611976.0 [0,0,0,2,0,0|1,1,0]=4 882 B8R2.25 C1CCC2OC2C1 CNP0609031.0 [0,0,0,2,0,0|0,1,0]=3 883 B8R2.25 C1CC[C@@H]2C[C@H]2C1 CNP0258217.1 [0,0,0,2,0,0|1,0,0]=3 884 B8R2.38 CC1C=CC2C1C2 CNP0482788.0 [0,0,0,2,0,0|1,0,1]=4