0 B6R0.6 C=CC#CC=CC CNP0360102.0 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.6 C=CC=CC=CC CNP0610379.0 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.6 C=CC=CCCC CNP0526826.0 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.6 C=CCCC=CC CNP0426808.0 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.6 C=CCCCCC CNP0226691.0 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.6 C=CCCCCO CNP0162421.0 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.6 C=CCOCCO CNP0248950.0 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C=CCSCCC CNP0150756.0 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 C=CCSSSC CNP0338885.0 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.6 C=COCCCC CNP0077236.0 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.6 CC#CC#CC=O CNP0301631.0 [0,0,0,0,0,0|0,0,4]=4 11 B6R0.6 CC#CC=CCO CNP0610509.0 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,0,0,0,0,0|0,0,2]=2 13 B6R0.6 CC=CC=CCC CNP0608489.0 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.6 CC=CC=CCO CNP0292375.0 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.6 CC=CCCC=O CNP0056069.0 [0,0,0,0,0,0|0,0,2]=2 16 B6R0.6 CC=CCCCC CNP0158475.0 [0,0,0,0,0,0|1,0,3]=4 17 B6R0.6 CC=CCCCO CNP0309139.0 [0,0,0,0,0,0|0,0,4]=4 18 B6R0.6 CC=CCSCC CNP0575773.0 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.6 CC=COC=CC CNP0612224.0 [0,0,0,0,0,0|2,0,2]=4 20 B6R0.6 CC=CSC=CC CNP0002507.0 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.6 CC=CSCCC CNP0320861.0 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.6 CC=CSSCC CNP0418756.0 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.6 CCC#CCCO CNP0170517.0 [0,0,0,0,0,0|0,0,4]=4 24 B6R0.6 CCC=C=CC=O CNP0611366.0 [0,0,0,0,0,0|0,0,2]=2 25 B6R0.6 CCC=C=CCC CNP0518397.0 [0,0,0,0,0,0|1,0,3]=4 26 B6R0.6 CCC=CCC#N CNP0106706.0 [0,0,0,0,0,0|1,0,1]=2 27 B6R0.6 CCC=CCC=O CNP0227189.0 [0,0,0,0,0,0|0,0,0]=0 28 B6R0.6 CCC=CCCC CNP0391454.0 [0,0,0,0,0,0|1,0,1]=2 29 B6R0.6 CCC=CCCO CNP0255718.0 [0,0,0,0,0,0|0,0,2]=2 30 B6R0.6 CCC=CN=C=S CNP0076586.0 [0,0,0,0,0,0|1,1,1]=3 31 B6R0.6 CCCC=CC=O CNP0263913.0 [0,0,0,0,0,0|0,0,2]=2 32 B6R0.6 CCCC=CCO CNP0254124.0 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.6 CCCC=CNO CNP0162409.0 [0,0,0,0,0,0|1,0,3]=4 34 B6R0.6 CCCCC=CO CNP0511187.0 [0,0,0,0,0,0|0,0,4]=4 35 B6R0.6 CCCCCC#N CNP0412353.0 [0,0,0,0,0,0|1,0,3]=4 36 B6R0.6 CCCCCC=O CNP0304790.0 [0,0,0,0,0,0|0,0,2]=2 37 B6R0.6 CCCCCCC CNP0290800.0 [0,0,0,0,0,0|1,0,3]=4 38 B6R0.6 CCCCCCN CNP0213933.0 [0,0,0,0,0,0|1,0,3]=4 39 B6R0.6 CCCCCCO CNP0317600.0 [0,0,0,0,0,0|0,0,4]=4 40 B6R0.6 CCCCCCS CNP0167948.0 [0,0,0,0,0,0|0,1,3]=4 41 B6R0.6 CCCCCC[O-] CNP0579903.0 [0,0,0,0,0,0|0,0,4]=4 42 B6R0.6 CCCCCNC CNP0276164.0 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.6 CCCCCOC CNP0358174.0 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.6 CCCCCSC CNP0293012.0 [0,0,0,0,0,0|2,0,2]=4 45 B6R0.6 CCCCCSS CNP0228282.0 [0,0,0,0,0,0|1,1,2]=4 46 B6R0.6 CCCCNC=O CNP0082472.0 [0,0,0,0,0,0|1,0,2]=3 47 B6R0.6 CCCCOC=O CNP0282325.0 [0,0,0,0,0,0|1,0,2]=3 48 B6R0.6 CCCCON=O CNP0003508.0 [0,0,0,0,0,0|2,0,2]=4 49 B6R0.6 CCCNCCC CNP0129820.0 [0,0,0,0,0,0|2,0,2]=4 50 B6R0.6 CCCOCCO CNP0079853.0 [0,0,0,0,0,0|1,0,3]=4 51 B6R0.6 CCCSCCC CNP0173387.0 [0,0,0,0,0,0|2,0,2]=4 52 B6R0.6 CCCSSCC CNP0322971.0 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.6 CCOCCCO CNP0304052.0 [0,0,0,0,0,0|1,0,3]=4 54 B6R0.6 CCOCCCS CNP0267296.0 [0,0,0,0,0,0|1,1,2]=4 55 B6R0.6 CCSCCCO CNP0355297.0 [0,0,0,0,0,0|1,0,3]=4 56 B6R0.6 CCSSCSC CNP0003140.0 [0,0,0,0,0,0|4,0,0]=4 57 B6R0.6 CSCCCC=O CNP0002814.0 [0,0,0,0,0,0|1,0,2]=3 58 B6R0.6 NCCCCC=O CNP0083786.0 [0,0,0,0,0,0|1,0,2]=3 59 B6R0.6 O=CCCCC=O CNP0204417.0 [0,0,0,0,0,0|1,0,3]=4 60 B5R0.2 C=C=CCC=O CNP0509236.0 [1,0,0,0,0,0|0,0,2]=3 61 B5R0.2 C=CC=CC=C CNP0612137.0 [1,0,0,0,0,0|0,0,3]=4 62 B5R0.2 C=CC=CC=O CNP0022566.0 [1,0,0,0,0,0|0,0,2]=3 63 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,0,0,0,0|0,0,1]=2 64 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,0,0,0,0|1,0,0]=2 65 B5R0.2 C=CCCC=C CNP0079781.0 [1,0,0,0,0,0|1,0,2]=4 66 B5R0.2 C=CCCC=O CNP0076959.0 [1,0,0,0,0,0|0,0,2]=3 67 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.2 C=CCCCO CNP0003396.0 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.2 C=CCOC=C CNP0367857.0 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.2 C=CCOC=O CNP0541341.0 [1,0,0,0,0,0|1,0,2]=4 71 B5R0.2 C=CCSCC CNP0261096.0 [1,0,0,0,0,0|2,0,0]=3 72 B5R0.2 C=CCSSC CNP0333880.0 [1,0,0,0,0,0|3,0,0]=4 73 B5R0.2 C=CSSCC CNP0003136.0 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.2 CC=C=CCO CNP0426440.0 [1,0,0,0,0,0|0,0,3]=4 75 B5R0.2 CC=C=COC CNP0519318.0 [1,0,0,0,0,0|2,0,1]=4 76 B5R0.2 CC=CC=CC CNP0611428.0 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.2 CC=CCC#N CNP0080085.0 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,0,0,0,0|0,0,0]=1 79 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|1,0,1]=3 80 B5R0.2 CC=CCCO CNP0253382.0 [1,0,0,0,0,0|0,0,2]=3 81 B5R0.2 CC=CSSC CNP0214071.0 [1,0,0,0,0,0|3,0,0]=4 82 B5R0.2 CCC#CCO CNP0076027.0 [1,0,0,0,0,0|0,0,3]=4 83 B5R0.2 CCC=CC#N CNP0080058.0 [1,0,0,0,0,0|1,0,1]=3 84 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,0,0,0,0|0,0,0]=1 85 B5R0.2 CCC=CCO CNP0239009.0 [1,0,0,0,0,0|0,0,1]=2 86 B5R0.2 CCC=CSC CNP0068372.0 [1,0,0,0,0,0|1,0,1]=3 87 B5R0.2 CCC=CSO CNP0458289.0 [1,0,0,0,0,0|1,0,1]=3 88 B5R0.2 CCC=NNC CNP0543863.0 [1,0,0,0,0,0|2,0,1]=4 89 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|0,0,2]=3 90 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|1,0,2]=4 91 B5R0.2 CCCCC#N CNP0357663.0 [1,0,0,0,0,0|1,0,2]=4 92 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|0,0,1]=2 93 B5R0.2 CCCCCBr CNP0018690.0 [1,0,0,0,0,0|1,0,2]=4 94 B5R0.2 CCCCCC CNP0269021.0 [1,0,0,0,0,0|0,0,3]=4 95 B5R0.2 CCCCCI CNP0017763.0 [1,0,0,0,0,0|1,0,2]=4 96 B5R0.2 CCCCCN CNP0203183.0 [1,0,0,0,0,0|1,0,2]=4 97 B5R0.2 CCCCCO CNP0244882.0 [1,0,0,0,0,0|0,0,3]=4 98 B5R0.2 CCCCCS CNP0260876.0 [1,0,0,0,0,0|0,1,2]=4 99 B5R0.2 CCCCNC CNP0277639.0 [1,0,0,0,0,0|2,0,1]=4 100 B5R0.2 CCCCOC CNP0609033.0 [1,0,0,0,0,0|2,0,1]=4 101 B5R0.2 CCCCSC CNP0562965.0 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,0,0,0,0|1,0,1]=3 103 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|1,0,1]=3 104 B5R0.2 CCCSCC CNP0316215.0 [1,0,0,0,0,0|1,0,2]=4 105 B5R0.2 CCNCCN CNP0281269.0 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.2 CCNCCO CNP0396370.0 [1,0,0,0,0,0|1,0,2]=4 107 B5R0.2 CCOCC#N CNP0184632.0 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.2 CCOCCO CNP0319988.0 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.2 CCSCCN CNP0506731.0 [1,0,0,0,0,0|2,0,1]=4 110 B5R0.2 CCSSCC CNP0416624.0 [1,0,0,0,0,0|2,0,1]=4 111 B5R0.2 COC=COC CNP0416791.0 [1,0,0,0,0,0|2,0,1]=4 112 B5R0.2 CSC=CSC CNP0075985.0 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.2 CSCCC=O CNP0136743.0 [1,0,0,0,0,0|1,0,1]=3 114 B5R0.2 N#CCCC=O CNP0181263.0 [1,0,0,0,0,0|1,0,2]=4 115 B5R0.2 NCCCC=O CNP0359033.0 [1,0,0,0,0,0|1,0,1]=3 116 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,0,0,0,0|1,0,0]=2 117 B5R0.2 O=CCCC=O CNP0053830.0 [1,0,0,0,0,0|1,0,1]=3 118 B5R0.2 OCC=CCO CNP0296138.0 [1,0,0,0,0,0|1,0,1]=3 119 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,0,0,0,0,0|2,0,1]=4 120 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,1,0,0,0,0|1,0,1]=3 121 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,1,0,0,0,0|1,0,2]=4 122 B7R0.1 C=CC=CCCC=C CNP0365770.0 [0,1,0,0,0,0|1,0,2]=4 123 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,1,0,0,0,0|1,0,2]=4 124 B7R0.1 C=CCCCC=CC CNP0076717.0 [0,1,0,0,0,0|1,0,2]=4 125 B7R0.1 C=CCCCCCC CNP0246919.0 [0,1,0,0,0,0|1,0,2]=4 126 B7R0.1 C=CCCCCCO CNP0075956.0 [0,1,0,0,0,0|1,0,2]=4 127 B7R0.1 C=CCSSC=CC CNP0226902.0 [0,1,0,0,0,0|2,0,1]=4 128 B7R0.1 C=CCSSCCC CNP0170059.0 [0,1,0,0,0,0|2,0,1]=4 129 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,1,0,0,0,0|1,0,2]=4 130 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,1,0,0,0,0|1,0,1]=3 131 B7R0.1 CC=CCC=CCO CNP0168622.0 [0,1,0,0,0,0|2,0,0]=3 132 B7R0.1 CC=CCCC=CC CNP0082120.0 [0,1,0,0,0,0|1,0,2]=4 133 B7R0.1 CC=CCCCCC CNP0199237.0 [0,1,0,0,0,0|1,0,2]=4 134 B7R0.1 CC=CCSCCC CNP0536250.0 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,1,0,0,0,0|0,0,1]=2 136 B7R0.1 CCC=CC=CCC CNP0546897.0 [0,1,0,0,0,0|1,0,1]=3 137 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,1,0,0,0,0|0,0,2]=3 138 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,1,0,0,0,0|0,0,0]=1 139 B7R0.1 CCC=CCCCC CNP0084702.0 [0,1,0,0,0,0|1,0,1]=3 140 B7R0.1 CCC=CCCCO CNP0003503.0 [0,1,0,0,0,0|0,0,2]=3 141 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,1,0,0,0,0|0,0,2]=3 142 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,1,0,0,0,0|0,0,0]=1 143 B7R0.1 CCCC=CCCC CNP0541880.0 [0,1,0,0,0,0|1,0,1]=3 144 B7R0.1 CCCC=CCCO CNP0287313.0 [0,1,0,0,0,0|0,0,2]=3 145 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,1,0,0,0,0|0,0,2]=3 146 B7R0.1 CCCCC=CCO CNP0191159.0 [0,1,0,0,0,0|2,0,1]=4 147 B7R0.1 CCCCCCC=O CNP0243745.0 [0,1,0,0,0,0|0,0,2]=3 148 B7R0.1 CCCCCOC=O CNP0294368.0 [0,1,0,0,0,0|0,0,2]=3 149 B7R0.1 CCCCCON=O CNP0511882.0 [0,1,0,0,0,0|1,0,2]=4 150 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [0,1,0,0,0,0|0,0,3]=4 151 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,1,0,0,0,0|0,0,2]=3 152 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,1,0,0,0,0|0,0,3]=4 153 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,1,0,0,0,0|1,0,2]=4 154 B7R0.3 C=CC(=C)CCC=O CNP0610455.0 [0,1,0,0,0,0|0,0,3]=4 155 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,1,0,0,0,0|1,0,2]=4 156 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,1,0,0,0,0|1,0,2]=4 157 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,1,0,0,0,0|1,0,2]=4 158 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [0,1,0,0,0,0|1,0,2]=4 159 B7R0.3 C=CC=CC(C)C=C CNP0076743.0 [0,1,0,0,0,0|1,0,2]=4 160 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [0,1,0,0,0,0|2,0,0]=3 162 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [0,1,0,0,0,0|1,0,2]=4 163 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,1,0,0,0,0|0,0,1]=2 164 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,1,0,0,0,0|2,0,1]=4 165 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,1,0,0,0,0|1,0,2]=4 166 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,1,0,0,0,0|1,0,2]=4 167 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,1,0,0,0,0|1,0,1]=3 168 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,1,0,0,0,0|1,0,2]=4 169 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,1,0,0,0,0|0,0,2]=3 170 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [0,1,0,0,0,0|0,0,2]=3 171 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,1,0,0,0,0|2,0,1]=4 172 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,1,0,0,0,0|1,0,1]=3 174 B7R0.3 COCC=C(C)CO CNP0311126.0 [0,1,0,0,0,0|3,0,0]=4 175 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,1,0,0,0,0|1,0,2]=4 176 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,1,0,0,0,0|1,0,2]=4 177 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,1,0,0,0,0|0,0,3]=4 178 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,1,0,0,0,0|1,0,2]=4 179 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [0,1,0,0,0,0|1,0,2]=4 180 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,1,0,0,0,0|0,0,3]=4 181 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,1,0,0,0,0|1,0,2]=4 182 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,1,0,0,0,0|1,0,2]=4 183 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,1,0,0,0,0|1,0,2]=4 184 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,1,0,0,0,0|0,0,2]=3 185 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,1,0,0,0,0|0,0,2]=3 186 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,1,0,0,0,0|0,0,2]=3 187 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,1,0,0,0,0|0,0,2]=3 188 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,1,0,0,0,0|0,0,2]=3 189 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,1,0,0,0,0|0,0,2]=3 190 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,1,0,0,0,0|0,0,0]=1 191 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,1,0,0,0,0|0,0,0]=1 192 B7R0.4 CCC=NNC(=O)N CNP0040516.0 [0,1,0,0,0,0|2,0,0]=3 193 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,1,0,0,0,0|0,0,2]=3 194 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,1,0,0,0,0|0,0,2]=3 195 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,1,0,0,0,0|0,0,2]=3 196 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,1,0,0,0,0|0,0,2]=3 197 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,1,0,0,0,0|0,0,2]=3 198 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,1,0,0,0,0|0,0,3]=4 199 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,1,0,0,0,0|0,0,2]=3 200 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,1,0,0,0,0|1,0,2]=4 201 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,1,0,0,0,0|2,0,1]=4 202 B7R0.4 CCNCNC(=O)N CNP0182596.0 [0,1,0,0,0,0|2,0,1]=4 203 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,1,0,0,0,0|1,0,1]=3 204 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,1,0,0,0,0|1,0,1]=3 205 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,1,0,0,0,0|1,0,2]=4 206 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,1,0,0,0,0|1,0,2]=4 207 B7R0.4 CSSC=CC(C)C CNP0002674.0 [0,1,0,0,0,0|3,0,0]=4 208 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,1,0,0,0,0|2,0,1]=4 209 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,1,0,0,0,0|1,0,2]=4 210 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,1,0,0,0,0|1,0,2]=4 211 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.4 NN=CNCC(=O)O CNP0018426.0 [0,1,0,0,0,0|3,0,0]=4 213 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,1,0,0,0,0|1,0,2]=4 214 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,1,0,0,0,0|1,0,2]=4 216 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,1,0,0,0,0|1,0,0]=2 217 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [0,1,0,0,0,0|3,0,0]=4 219 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,1,0,0,0,0|1,0,2]=4 220 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,1,0,0,0,0|0,0,2]=3 221 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,1,0,0,0,0|1,0,2]=4 222 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,1,0,0,0,0|2,0,1]=4 223 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,1,0,0,0,0|1,0,1]=3 224 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,1,0,0,0,0|1,0,2]=4 225 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,1,0,0,0,0|2,0,1]=4 227 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,1,0,0,0,0|0,0,2]=3 228 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,1,0,0,0,0|2,0,1]=4 229 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,1,0,0,0,0|2,0,1]=4 230 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,1,0,0,0,0|1,1,1]=4 232 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,1,0,0,0,0|3,0,0]=4 233 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,1,0,0,0,0|3,0,0]=4 234 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,0,0,1,0,0|0,0,2]=3 235 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [0,0,0,1,0,0|0,1,1]=3 236 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,0,0,1,0,0|1,0,1]=3 237 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,0,0,1,0,0|2,0,0]=3 238 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [0,0,0,1,0,0|2,0,0]=3 239 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [0,0,0,1,0,0|1,1,1]=4 240 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.1 COC1=CC=CN1 CNP0098587.0 [0,0,0,1,0,0|2,0,1]=4 242 B7R1.1 COC1=COC=C1 CNP0503708.0 [0,0,0,1,0,0|3,0,0]=4 243 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [0,0,0,1,0,0|3,0,0]=4 244 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [0,0,0,1,0,0|1,0,2]=4 245 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [0,0,0,1,0,0|1,0,2]=4 246 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [0,0,0,1,0,0|1,0,2]=4 247 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [0,0,0,1,0,0|1,0,2]=4 248 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [0,0,0,1,0,0|1,0,2]=4 249 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [0,0,0,1,0,0|1,0,2]=4 250 B7R1.1 O=CN1CCCC1 CNP0081536.0 [0,0,0,1,0,0|1,0,2]=4 251 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [0,0,0,1,0,0|1,0,2]=4 252 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [0,0,0,1,0,0|1,1,1]=4 253 B7R1.1 OCC1=COC=C1 CNP0248845.0 [0,0,0,1,0,0|3,0,0]=4 254 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [0,0,0,1,0,0|3,0,0]=4 255 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [0,0,0,1,0,0|1,0,2]=4 256 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [0,0,0,1,0,0|1,1,1]=4 257 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,0,0,1,0,0|1,0,2]=4 258 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [0,0,0,1,0,0|1,0,2]=4 259 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [0,0,0,1,0,0|1,0,2]=4 260 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,0,1,0,0|1,0,1]=3 261 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [0,0,0,1,0,0|2,0,1]=4 262 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [0,0,0,1,0,0|2,0,1]=4 263 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [0,0,0,1,0,0|1,0,1]=3 264 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [0,0,0,1,0,0|0,1,1]=3 265 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,0,0,1,0,0|1,0,1]=3 266 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [0,0,0,1,0,0|0,1,1]=3 267 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [0,0,0,1,0,0|2,0,1]=4 268 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [0,0,0,1,0,0|2,0,1]=4 270 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [0,0,0,1,0,0|0,0,2]=3 271 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [0,0,0,1,0,0|1,0,2]=4 272 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [0,0,0,1,0,0|1,0,2]=4 273 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [0,0,0,1,0,0|2,0,1]=4 274 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,1,0,0|0,0,2]=3 275 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,0,0,1,0,0|1,0,2]=4 276 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [0,0,0,1,0,0|2,0,1]=4 277 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,0,0,1,0,0|0,0,0]=1 278 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,0,0,1,0,0|1,0,0]=2 279 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,0,0,1,0,0|1,0,1]=3 280 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,0,0,1,0,0|0,0,2]=3 281 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,0,0,1,0,0|1,0,2]=4 282 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,0,0,1,0,0|1,0,2]=4 283 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,0,0,1,0,0|1,0,1]=3 284 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,0,0,1,0,0|2,0,1]=4 285 B7R1.3 O=C1CSC=CN1 CNP0032695.0 [0,0,0,1,0,0|2,0,0]=3 286 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,0,0,1,0,0|0,0,2]=3 287 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,0,0,1,0,0|2,0,1]=4 288 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,0,0,1,0,0|2,0,1]=4 289 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,0,0,1,0,0|2,0,1]=4 290 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,0,0,1,0,0|2,0,1]=4 291 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,1,0,0|0,0,2]=3 292 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,1,0,0|1,0,2]=4 293 B7R1.4 CC1=NC=CN1C CNP0511652.0 [0,0,0,1,0,0|3,0,0]=4 294 B7R1.4 CC1COCC1=O CNP0611227.0 [0,0,0,1,0,0|1,0,1]=3 295 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,1,0,0|1,0,1]=3 296 B7R1.4 CN1C=CN=C1N CNP0308541.0 [0,0,0,1,0,0|3,0,0]=4 297 B7R1.4 CN1C=CN=C1S CNP0605467.0 [0,0,0,1,0,0|2,1,0]=4 298 B7R1.4 CN1C=CNC1=S CNP0156475.0 [0,0,0,1,0,0|2,1,0]=4 299 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,1,0,0|1,0,2]=4 300 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,1,0,0|1,0,2]=4 301 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|0,0,2]=3 302 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|1,0,2]=4 303 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,1,0,0|1,0,1]=3 304 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|0,0,2]=3 305 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|1,0,2]=4 306 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,1,0,0|1,0,1]=3 307 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,1,0,0|1,0,1]=3 308 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,1,0,0|1,0,2]=4 309 B7R1.4 O=C1COCC1S CNP0188638.0 [0,0,0,1,0,0|2,0,1]=4 310 B7R1.6 C=CC=C1C=CC1 CNP0487759.0 [0,0,0,1,0,0|1,0,2]=4 311 B7R1.24 C1=CC=CCC=C1 CNP0339463.0 [0,0,0,1,0,0|1,0,2]=4 312 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [0,0,0,1,0,0|1,0,1]=3 313 B4R0.2 C#CC=CC CNP0541501.0 [2,0,0,0,0,0|0,0,2]=4 314 B4R0.2 C#CCC=O CNP0596193.0 [2,0,0,0,0,0|0,0,2]=4 315 B4R0.2 C#CCCC CNP0510243.0 [2,0,0,0,0,0|1,0,1]=4 316 B4R0.2 C=C=CCC CNP0484675.0 [2,0,0,0,0,0|0,0,1]=3 317 B4R0.2 C=CC=CC CNP0501543.0 [2,0,0,0,0,0|0,0,1]=3 318 B4R0.2 C=CC=NO CNP0532391.0 [2,0,0,0,0,0|2,0,0]=4 319 B4R0.2 C=CCC#N CNP0498043.0 [2,0,0,0,0,0|1,0,1]=4 320 B4R0.2 C=CCC=C CNP0494589.0 [2,0,0,0,0,0|1,0,0]=3 321 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|0,0,1]=3 322 B4R0.2 C=CCCN CNP0493733.0 [2,0,0,0,0,0|1,0,1]=4 323 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|0,0,2]=4 324 B4R0.2 C=CCSC CNP0572475.0 [2,0,0,0,0,0|1,0,1]=4 325 B4R0.2 C=CCSO CNP0600527.0 [2,0,0,0,0,0|1,0,1]=4 326 B4R0.2 C=CC[Se]C CNP0612039.0 [2,0,0,0,0,0|1,0,1]=4 327 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|1,0,0]=3 328 B4R0.2 C=CSC=C CNP0525399.0 [2,0,0,0,0,0|2,0,0]=4 329 B4R0.2 C=CSCC CNP0581257.0 [2,0,0,0,0,0|1,0,0]=3 330 B4R0.2 CC#CCC CNP0516358.0 [2,0,0,0,0,0|0,0,2]=4 331 B4R0.2 CC=CC#N CNP0588304.0 [2,0,0,0,0,0|1,0,1]=4 332 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|0,0,0]=2 333 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|0,0,0]=2 334 B4R0.2 CC=CCO CNP0498228.0 [2,0,0,0,0,0|0,0,1]=3 335 B4R0.2 CC=CCS CNP0606069.0 [2,0,0,0,0,0|0,1,0]=3 336 B4R0.2 CC=CSC CNP0587371.0 [2,0,0,0,0,0|1,0,0]=3 337 B4R0.2 CC=CSO CNP0521494.0 [2,0,0,0,0,0|1,0,1]=4 338 B4R0.2 CCC=NO CNP0599998.0 [2,0,0,0,0,0|1,0,1]=4 339 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|1,0,0]=3 340 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,0,0]=2 341 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|0,0,2]=4 342 B4R0.2 CCCCI CNP0558480.0 [2,0,0,0,0,0|1,0,1]=4 343 B4R0.2 CCCCN CNP0597509.0 [2,0,0,0,0,0|1,0,1]=4 344 B4R0.2 CCCCO CNP0505612.0 [2,0,0,0,0,0|0,0,2]=4 345 B4R0.2 CCCCS CNP0598878.0 [2,0,0,0,0,0|0,1,1]=4 346 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|1,0,1]=4 347 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|1,0,1]=4 348 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|1,0,1]=4 349 B4R0.2 CCCSO CNP0594110.0 [2,0,0,0,0,0|1,0,1]=4 350 B4R0.2 CCNCC CNP0491960.0 [2,0,0,0,0,0|1,0,1]=4 351 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|1,0,0]=3 352 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|1,0,1]=4 353 B4R0.2 CCON=O CNP0596964.0 [2,0,0,0,0,0|2,0,0]=4 354 B4R0.2 CCSCC CNP0518873.0 [2,0,0,0,0,0|1,0,1]=4 355 B4R0.2 CCSSC CNP0571147.0 [2,0,0,0,0,0|2,0,0]=4 356 B4R0.2 CN=CC=S CNP0547393.0 [2,0,0,0,0,0|1,1,0]=4 357 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|1,0,0]=3 358 B4R0.2 ClC=CCCl CNP0530301.0 [2,0,0,0,0,0|2,0,0]=4 359 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|1,0,0]=3 360 B4R0.2 O=CC=CCl CNP0542132.0 [2,0,0,0,0,0|1,0,0]=3 361 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|1,0,0]=3 362 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|1,0,0]=3 363 B4R0.2 OCC=CCl CNP0578872.0 [2,0,0,0,0,0|1,0,1]=4 364 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [2,0,0,0,0,0|2,0,0]=4 365 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [1,1,0,0,0,0|1,0,0]=3 366 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,1,0,0,0,0|0,0,2]=4 367 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,1,0,0,0,0|0,0,2]=4 368 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,1,0,0,0,0|1,0,1]=4 369 B6R0.1 C=CC=C(C)CO CNP0191364.0 [1,1,0,0,0,0|1,0,1]=4 370 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,1,0,0,0,0|1,0,0]=3 371 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [1,1,0,0,0,0|0,0,2]=4 372 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.1 CC(=CC=O)CO CNP0083852.0 [1,1,0,0,0,0|1,0,0]=3 374 B6R0.1 CC(=CCO)CO CNP0277047.0 [1,1,0,0,0,0|1,0,1]=4 375 B6R0.1 CC=C(C)CSC CNP0003230.0 [1,1,0,0,0,0|2,0,0]=4 376 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,1,0,0,0,0|1,0,0]=3 378 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,1,0,0,0,0|2,0,0]=4 379 B6R0.1 CC=NN(C)C=O CNP0241743.0 [1,1,0,0,0,0|2,0,0]=4 380 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.1 CCC(C)CC=O CNP0531748.0 [1,1,0,0,0,0|0,0,1]=3 382 B6R0.1 CCC(C)NC=O CNP0583042.0 [1,1,0,0,0,0|1,0,1]=4 383 B6R0.1 CCC(C)OC=O CNP0570369.0 [1,1,0,0,0,0|1,0,1]=4 384 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,1,0,0,0,0|0,0,0]=2 385 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,1,0,0,0,0|0,0,1]=3 386 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,1,0,0,0,0|0,0,1]=3 387 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,1,0,0,0,0|0,0,2]=4 388 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,1,0,0,0,0|0,0,2]=4 389 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [1,1,0,0,0,0|0,0,1]=3 390 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,1,0,0,0,0|1,0,1]=4 391 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,1,0,0,0,0|1,0,0]=3 392 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,1,0,0,0,0|1,0,1]=4 393 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,1,0,0,0,0|2,0,0]=4 394 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,1,0,0,0,0|1,0,1]=4 395 B6R0.1 COC(=O)C=CBr CNP0321764.0 [1,1,0,0,0,0|2,0,0]=4 396 B6R0.1 COC(=O)C=CI CNP0190700.0 [1,1,0,0,0,0|2,0,0]=4 397 B6R0.1 COC(=O)CC=O CNP0187576.0 [1,1,0,0,0,0|1,0,0]=3 398 B6R0.1 CSC(C)CC=O CNP0002406.0 [1,1,0,0,0,0|1,0,1]=4 399 B6R0.1 NC(C=O)CC=O CNP0515395.0 [1,1,0,0,0,0|1,0,1]=4 400 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,1,0,0,0,0|1,0,1]=4 401 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,1,0,0,0,0|0,0,2]=4 402 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,1,0,0,0,0|0,0,2]=4 403 B6R0.4 C=CCCC(=O)N CNP0118917.0 [1,1,0,0,0,0|0,0,2]=4 404 B6R0.4 C=CCCC(=O)O CNP0003359.0 [1,1,0,0,0,0|0,0,2]=4 405 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,1,0,0,0,0|1,0,1]=4 406 B6R0.4 C=CCOC(=O)C CNP0175648.0 [1,1,0,0,0,0|2,0,0]=4 407 B6R0.4 C=CCSC(=O)C CNP0301401.0 [1,1,0,0,0,0|2,0,0]=4 408 B6R0.4 C=CCSC(C)C CNP0309084.0 [1,1,0,0,0,0|2,0,0]=4 409 B6R0.4 CC(=CCC=O)C CNP0094675.0 [1,1,0,0,0,0|0,0,0]=2 410 B6R0.4 CC(=CCCN)C CNP0568876.0 [1,1,0,0,0,0|1,0,1]=4 411 B6R0.4 CC(=CCCO)C CNP0410779.0 [1,1,0,0,0,0|0,0,2]=4 412 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,1,0,0,0,0|0,0,1]=3 413 B6R0.4 CC(C)C=CC=O CNP0003528.0 [1,1,0,0,0,0|0,0,0]=2 414 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,1,0,0,0,0|0,0,1]=3 415 B6R0.4 CC(C)CNC=O CNP0473867.0 [1,1,0,0,0,0|1,0,1]=4 416 B6R0.4 CC(C)COC=O CNP0232692.0 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,1,0,0,0,0|1,0,1]=4 418 B6R0.4 CC=CCC(=O)O CNP0610144.0 [1,1,0,0,0,0|0,0,0]=2 419 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,1,0,0,0,0|1,0,1]=4 420 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,1,0,0,0,0|0,0,2]=4 421 B6R0.4 CC=CCS(=S)O CNP0514093.0 [1,1,0,0,0,0|1,0,1]=4 422 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|0,0,0]=2 423 B6R0.4 CCC=CC(=O)O CNP0185292.0 [1,1,0,0,0,0|0,0,0]=2 424 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|0,0,2]=4 425 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|0,0,1]=3 426 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,1,0,0,0,0|0,0,1]=3 427 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,1,0,0,0,0|0,0,1]=3 428 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,1,0,0,0,0|0,0,1]=3 429 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,1,0,0,0,0|1,0,1]=4 430 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,1,0,0,0,0|1,0,1]=4 431 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,1,0,0,0,0|1,0,1]=4 432 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,1,0,0,0,0|1,0,0]=3 433 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,1,0,0,0,0|1,0,0]=3 434 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,1,0,0,0,0|1,0,0]=3 435 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,1,0,0,0,0|1,0,1]=4 436 B6R0.4 COCC=C(C)C CNP0493784.0 [1,1,0,0,0,0|2,0,0]=4 437 B6R0.4 CSC=CC(=O)N CNP0140289.0 [1,1,0,0,0,0|1,0,0]=3 438 B6R0.4 CSC=CC(=O)O CNP0140653.0 [1,1,0,0,0,0|1,0,0]=3 439 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,1,0,0,0,0|1,0,1]=4 440 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,1,0,0,0,0|1,0,1]=4 441 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,1,0,0,0,0|1,0,1]=4 442 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,1,0,0,0,0|1,0,1]=4 443 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [1,1,0,0,0,0|1,0,1]=4 444 B6R0.4 C[S@+]([O-])/C=C/CO CNP0531356.1 [1,1,0,0,0,0|1,0,1]=4 445 B6R0.4 C[S@@+]([O-])/C=C/CO CNP0531356.2 [1,1,0,0,0,0|1,0,1]=4 446 B6R0.4 C[S@H+]([O-])/C=C/CO CNP0529781.1 [1,1,0,0,0,0|1,0,1]=4 447 B6R0.4 N=C(N)NCC=O CNP0478435.0 [1,1,0,0,0,0|2,0,0]=4 448 B6R0.4 N=CNCC(=O)O CNP0218776.0 [1,1,0,0,0,0|2,0,0]=4 449 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,1,0,0,0,0|1,0,1]=4 450 B6R0.4 NCC=CC(=O)O CNP0250683.0 [1,1,0,0,0,0|1,0,0]=3 451 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,1,0,0,0,0|1,0,1]=4 452 B6R0.4 O=C(O)C=CCO CNP0097506.0 [1,1,0,0,0,0|1,0,0]=3 453 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,1,0,0,0,0|1,0,1]=4 454 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,1,0,0,0,0|1,0,1]=4 455 B6R0.4 O=CCCC(=O)O CNP0318740.0 [1,1,0,0,0,0|1,0,1]=4 456 B6R0.4 O=CNCC(=O)O CNP0082901.0 [1,1,0,0,0,0|2,0,0]=4 457 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,2,0,0,0,0|1,0,1]=4 458 B8R0.1 C=CCOC(=O)C=CC CNP0018156.0 [0,2,0,0,0,0|1,0,1]=4 459 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,2,0,0,0,0|1,0,1]=4 460 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,2,0,0,0,0|0,0,1]=3 461 B8R0.1 NCCCC(N)CC=O CNP0515515.0 [0,2,0,0,0,0|0,0,2]=4 462 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [0,2,0,0,0,0|0,0,2]=4 463 B8R0.4 C=CCCCCCC=O CNP0184185.0 [0,2,0,0,0,0|0,0,2]=4 464 B8R0.4 CC=CC=CCCCO CNP0492923.0 [0,2,0,0,0,0|1,0,1]=4 465 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [0,2,0,0,0,0|0,0,2]=4 466 B8R0.4 CC=CCCC=CCO CNP0076887.0 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.4 CC=CCCCCC=O CNP0181844.0 [0,2,0,0,0,0|0,0,2]=4 468 B8R0.4 CCC=CC=CCCO CNP0339953.0 [0,2,0,0,0,0|0,0,2]=4 469 B8R0.4 CCC=CCC=CCO CNP0338368.0 [0,2,0,0,0,0|0,0,1]=3 470 B8R0.4 CCC=CCCCC=O CNP0002614.0 [0,2,0,0,0,0|0,0,0]=2 471 B8R0.4 CCC=CCCCCC CNP0539420.0 [0,2,0,0,0,0|1,0,1]=4 472 B8R0.4 CCC=CCCCCO CNP0192139.0 [0,2,0,0,0,0|0,0,2]=4 473 B8R0.4 CCC=CCCOC=O CNP0053041.0 [0,2,0,0,0,0|0,0,0]=2 474 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,2,0,0,0,0|0,0,1]=3 475 B8R0.4 CCCC=CC=CCO CNP0175481.0 [0,2,0,0,0,0|0,0,2]=4 476 B8R0.4 CCCC=CCCCC CNP0594829.0 [0,2,0,0,0,0|1,0,1]=4 477 B8R0.4 CCCC=CCCCO CNP0085599.0 [0,2,0,0,0,0|0,0,2]=4 478 B8R0.4 CCCC=CCOC=O CNP0131807.0 [0,2,0,0,0,0|0,0,0]=2 479 B8R0.4 CCCCC=CCC=O CNP0207183.0 [0,2,0,0,0,0|0,0,0]=2 480 B8R0.4 CCCCC=CCCO CNP0221419.0 [0,2,0,0,0,0|0,0,2]=4 481 B8R0.4 CCCCC=COC=O CNP0604660.0 [0,2,0,0,0,0|1,0,0]=3 482 B8R0.4 CCCCCC=CC=O CNP0192932.0 [0,2,0,0,0,0|0,0,2]=4 483 B8R0.4 CCCCCCCC=O CNP0146292.0 [0,2,0,0,0,0|0,0,2]=4 484 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [0,2,0,0,0,0|0,0,2]=4 485 B8R0.4 CCCCCCOC=O CNP0086211.0 [0,2,0,0,0,0|0,0,2]=4 486 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,2,0,0,0,0|0,0,0]=2 487 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,2,0,0,0,0|0,0,2]=4 488 B8R0.6 C=C[C@@H](O)/C=C/CCC CNP0182495.1 [0,2,0,0,0,0|1,0,0]=3 489 B8R0.6 C=C[C@@H](O)C/C=C/CC CNP0227768.1 [0,2,0,0,0,0|1,0,0]=3 490 B8R0.6 C=C[C@@H](O)C/C=C\CC CNP0227768.2 [0,2,0,0,0,0|1,0,0]=3 491 B8R0.6 C=C[C@H](O)C/C=C/CC CNP0227768.4 [0,2,0,0,0,0|1,0,0]=3 492 B8R0.6 C=C[C@H](O)C/C=C\CC CNP0227768.3 [0,2,0,0,0,0|1,0,0]=3 493 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [0,2,0,0,0,0|0,0,2]=4 494 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,2,0,0,0,0|0,0,2]=4 495 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,2,0,0,0,0|0,0,0]=2 496 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,2,0,0,0,0|0,0,2]=4 497 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,2,0,0,0,0|0,0,2]=4 498 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,2,0,0,0,0|0,0,2]=4 499 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,2,0,0,0,0|0,0,2]=4 500 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,2,0,0,0,0|0,0,2]=4 501 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,2,0,0,0,0|0,0,2]=4 502 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,2,0,0,0,0|0,0,2]=4 503 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,2,0,0,0,0|1,0,1]=4 504 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,2,0,0,0,0|0,0,1]=3 505 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [0,2,0,0,0,0|0,0,2]=4 506 B8R0.7 C=CCCC=CC(=O)C CNP0360839.0 [0,2,0,0,0,0|1,0,1]=4 507 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [0,2,0,0,0,0|0,0,2]=4 508 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [0,2,0,0,0,0|0,0,2]=4 509 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [0,2,0,0,0,0|0,0,2]=4 510 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,2,0,0,0,0|0,0,2]=4 511 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [0,2,0,0,0,0|0,0,2]=4 512 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [0,2,0,0,0,0|0,0,2]=4 513 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [0,2,0,0,0,0|1,0,1]=4 514 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,2,0,0,0,0|0,0,1]=3 515 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,2,0,0,0,0|0,0,1]=3 516 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [0,2,0,0,0,0|0,0,0]=2 517 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [0,2,0,0,0,0|0,0,0]=2 518 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [0,2,0,0,0,0|0,0,0]=2 519 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [0,2,0,0,0,0|0,0,2]=4 520 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [0,2,0,0,0,0|0,0,2]=4 521 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [0,2,0,0,0,0|1,0,1]=4 522 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [0,2,0,0,0,0|0,0,2]=4 523 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [0,2,0,0,0,0|0,0,2]=4 524 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [0,2,0,0,0,0|0,0,2]=4 525 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [0,2,0,0,0,0|0,0,2]=4 526 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [0,2,0,0,0,0|0,0,2]=4 527 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [0,2,0,0,0,0|0,0,2]=4 528 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [0,2,0,0,0,0|0,0,2]=4 529 B8R0.7 CCOCC=CC(C)C CNP0076367.0 [0,2,0,0,0,0|1,0,1]=4 530 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [0,2,0,0,0,0|0,0,2]=4 531 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [0,2,0,0,0,0|0,0,2]=4 532 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,2,0,0,0,0|2,0,0]=4 533 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,2,0,0,0,0|1,0,1]=4 534 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,2,0,0,0,0|1,0,1]=4 535 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,2,0,0,0,0|1,0,0]=3 536 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [0,2,0,0,0,0|0,0,2]=4 537 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,2,0,0,0,0|0,0,2]=4 538 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [0,2,0,0,0,0|0,0,2]=4 539 B8R0.8 C=C/C=C\[C@@H](N)C(=O)O CNP0232155.1 [0,2,0,0,0,0|0,0,2]=4 540 B8R0.8 C=CC=CC(N)C(=O)O CNP0232155.0 [0,2,0,0,0,0|0,0,2]=4 541 B8R0.8 C=CCOC(=O)C(C)C CNP0230634.0 [0,2,0,0,0,0|2,0,0]=4 542 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,2,0,0,0,0|0,0,2]=4 543 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,2,0,0,0,0|0,0,2]=4 544 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,2,0,0,0,0|0,0,2]=4 545 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,2,0,0,0,0|0,0,2]=4 546 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,2,0,0,0,0|0,0,2]=4 547 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,2,0,0,0,0|0,0,2]=4 548 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,2,0,0,0,0|0,0,2]=4 549 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,2,0,0,0,0|0,0,2]=4 550 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,2,0,0,0,0|0,0,2]=4 551 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [0,2,0,0,0,0|1,0,1]=4 552 B8R0.8 CO/C=C/[C@H](N)C(=O)O CNP0277704.1 [0,2,0,0,0,0|1,0,0]=3 553 B8R0.8 CO/C=C\[C@H](N)C(=O)O CNP0277704.2 [0,2,0,0,0,0|1,0,0]=3 554 B8R0.8 C[C@H](O)[C@@H](O)CCC=O CNP0343668.1 [0,2,0,0,0,0|0,0,2]=4 555 B8R0.9 CC(=O)C=CC(=O)CO CNP0106535.0 [0,2,0,0,0,0|1,0,1]=4 556 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,2,0,0,0,0|0,0,2]=4 557 B8R0.9 CC=C(N)CCC(=O)O CNP0563504.0 [0,2,0,0,0,0|0,0,2]=4 558 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [0,2,0,0,0,0|0,0,1]=3 559 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [0,2,0,0,0,0|0,0,1]=3 560 B8R0.9 CCC(=O)CCC(=O)O CNP0609090.0 [0,2,0,0,0,0|0,0,1]=3 561 B8R0.9 CCC(=O)COC(=O)C CNP0146309.0 [0,2,0,0,0,0|1,0,1]=4 562 B8R0.9 CCC(=O)NCC(=O)O CNP0322949.0 [0,2,0,0,0,0|1,0,0]=3 563 B8R0.9 CCC(C)C=CC(=O)C CNP0546315.0 [0,2,0,0,0,0|0,0,2]=4 564 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,2,0,0,0,0|0,0,2]=4 565 B8R0.9 CCC(O)C=CC(=O)O CNP0352408.0 [0,2,0,0,0,0|0,0,2]=4 566 B8R0.9 CC[C@@H](C)/C=C/C(=O)O CNP0190272.2 [0,2,0,0,0,0|0,0,2]=4 567 B8R0.9 CC[C@@H](N)CCC(=O)O CNP0584054.1 [0,2,0,0,0,0|0,0,2]=4 568 B8R0.9 CC[C@@H](O)C=CC(=O)O CNP0352408.1 [0,2,0,0,0,0|0,0,2]=4 569 B8R0.9 CC[C@H](C)/C=C/C(=O)O CNP0190272.1 [0,2,0,0,0,0|0,0,2]=4 570 B8R0.9 CC[C@H](C)CCC(=O)O CNP0326615.1 [0,2,0,0,0,0|0,0,2]=4 571 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [0,2,0,0,0,0|1,0,1]=4 572 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [0,2,0,0,0,0|1,0,1]=4 573 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [0,2,0,0,0,0|1,0,1]=4 574 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [0,2,0,0,0,0|1,0,1]=4 575 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [0,2,0,0,0,0|1,0,1]=4 576 B8R0.9 NCC(=O)CCC(=O)O CNP0153451.0 [0,2,0,0,0,0|1,0,1]=4 577 B8R0.9 NCC(=O)NCC(=O)O CNP0355149.0 [0,2,0,0,0,0|2,0,0]=4 578 B8R0.9 O=C(O)CCC(=O)CO CNP0325230.0 [0,2,0,0,0,0|1,0,1]=4 579 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [0,2,0,0,0,0|0,0,2]=4 580 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [0,2,0,0,0,0|0,0,1]=3 581 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,2,0,0,0,0|0,0,2]=4 582 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [0,2,0,0,0,0|0,0,2]=4 583 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [0,2,0,0,0,0|0,0,2]=4 584 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,2,0,0,0,0|0,0,2]=4 585 B8R0.25 CCCCC(C)(C)C=O CNP0548345.0 [0,2,0,0,0,0|0,0,2]=4 586 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [0,2,0,0,0,0|0,0,2]=4 587 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [0,2,0,0,0,0|0,0,2]=4 588 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [0,2,0,0,0,0|0,0,2]=4 589 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,2,0,0,0,0|0,0,2]=4 590 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,2,0,0,0,0|0,0,2]=4 591 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,2,0,0,0,0|0,0,1]=3 592 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,2,0,0,0,0|0,0,1]=3 593 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,2,0,0,0,0|0,0,2]=4 594 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,2,0,0,0,0|0,0,2]=4 595 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,2,0,0,0,0|0,0,2]=4 596 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,2,0,0,0,0|0,0,2]=4 597 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,2,0,0,0,0|1,0,0]=3 598 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,2,0,0,0,0|1,0,0]=3 599 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,2,0,0,0,0|1,0,0]=3 600 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,2,0,0,0,0|2,0,0]=4 601 B8R0.28 C=C(C)C=CCC(=C)C CNP0611898.0 [0,2,0,0,0,0|1,0,1]=4 602 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [0,2,0,0,0,0|1,0,1]=4 603 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,2,0,0,0,0|0,0,2]=4 604 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [0,2,0,0,0,0|0,0,2]=4 605 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [0,2,0,0,0,0|0,0,2]=4 606 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [0,2,0,0,0,0|0,0,2]=4 607 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [0,2,0,0,0,0|0,0,0]=2 608 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [0,2,0,0,0,0|0,0,2]=4 609 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [0,2,0,0,0,0|0,0,2]=4 610 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [0,2,0,0,0,0|0,0,2]=4 611 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [0,2,0,0,0,0|0,0,2]=4 612 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [0,2,0,0,0,0|0,0,2]=4 613 B8R0.28 O=C(O)C=CCC(=O)O CNP0111503.0 [0,2,0,0,0,0|1,0,1]=4 614 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [0,2,0,0,0,0|1,0,1]=4 615 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [0,2,0,0,0,0|0,0,2]=4 616 B8R0.22 O=CC=C(C=O)CC=O CNP0185177.0 [0,2,0,0,0,0|1,0,1]=4 617 B6R1.1 C1=CCC=CC1 CNP0508932.0 [1,0,0,1,0,0|0,0,1]=3 618 B6R1.1 C1=CCCC=C1 CNP0267898.0 [1,0,0,1,0,0|0,0,1]=3 619 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|0,0,1]=3 620 B6R1.1 C1=CCN=CC1 CNP0062927.0 [1,0,0,1,0,0|1,0,0]=3 621 B6R1.1 C1=CCNC=C1 CNP0081217.0 [1,0,0,1,0,0|1,0,1]=4 622 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,1,0,0|1,0,0]=3 623 B6R1.1 C1=CCOC=C1 CNP0513975.0 [1,0,0,1,0,0|0,0,2]=4 624 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [1,0,0,1,0,0|1,0,1]=4 625 B6R1.1 C1=CNCCC1 CNP0200592.0 [1,0,0,1,0,0|1,0,1]=4 626 B6R1.1 C1=CNCN=C1 CNP0472134.0 [1,0,0,1,0,0|2,0,0]=4 627 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,1,0,0|0,0,2]=4 628 B6R1.1 C1=CSSCC1 CNP0530429.0 [1,0,0,1,0,0|1,1,0]=4 629 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,1,0,0|1,0,1]=4 630 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [1,0,0,1,0,0|0,0,2]=4 631 B6R1.2 C=C1C=CCC1 CNP0269204.0 [1,0,0,1,0,0|0,0,1]=3 632 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,1,0,0|1,0,1]=4 633 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,1,0,0|1,0,1]=4 634 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,1,0,0|0,0,2]=4 635 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,1,0,0|0,1,1]=4 636 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|1,0,1]=4 637 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,1,0,0|0,1,1]=4 638 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,1,0,0|2,0,0]=4 639 B6R1.2 CC1=CCSS1 CNP0166363.0 [1,0,0,1,0,0|1,1,0]=4 640 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,1,0,0|2,0,0]=4 641 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,1,0,0|1,1,0]=4 642 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,1,0,0|1,0,1]=4 643 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,1,0,0|2,0,0]=4 644 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,1,0,0|1,0,1]=4 645 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,1,0,0|2,0,0]=4 646 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,1,0,0|1,0,1]=4 647 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,1,0,0|2,0,0]=4 648 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,1,0,0|1,0,1]=4 649 B6R1.2 CC1CC=CS1 CNP0249135.0 [1,0,0,1,0,0|0,1,1]=4 650 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,1,0,0|1,0,1]=4 651 B6R1.2 CN1C=CN=C1 CNP0492624.0 [1,0,0,1,0,0|2,0,0]=4 652 B6R1.2 CN1CC=CC1 CNP0257888.0 [1,0,0,1,0,0|2,0,0]=4 653 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,1,0,0|1,0,1]=4 654 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [1,0,0,1,0,0|1,1,0]=4 655 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [1,0,0,1,0,0|1,1,0]=4 656 B6R1.2 O=C1C=CCC1 CNP0122561.0 [1,0,0,1,0,0|0,0,0]=2 657 B6R1.2 O=C1C=CCO1 CNP0253714.0 [1,0,0,1,0,0|1,0,0]=3 658 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,1,0,0|2,0,0]=4 659 B6R1.2 O=C1C=CNO1 CNP0275546.0 [1,0,0,1,0,0|2,0,0]=4 660 B6R1.2 O=C1C=COO1 CNP0482120.0 [1,0,0,1,0,0|2,0,0]=4 661 B6R1.2 O=C1CC=CO1 CNP0494071.0 [1,0,0,1,0,0|1,0,0]=3 662 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|0,0,1]=3 663 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|1,0,1]=4 664 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|1,0,1]=4 665 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|1,0,1]=4 666 B6R1.2 O=C1CCNN1 CNP0035182.0 [1,0,0,1,0,0|2,0,0]=4 667 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|1,0,0]=3 668 B6R1.2 O=C1CCON1 CNP0325381.0 [1,0,0,1,0,0|2,0,0]=4 669 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,1,0,0|1,0,0]=3 670 B6R1.2 O=C1CN=CN1 CNP0321519.0 [1,0,0,1,0,0|2,0,0]=4 671 B6R1.2 O=C1OC=CO1 CNP0585701.0 [1,0,0,1,0,0|2,0,0]=4 672 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|0,0,1]=3 673 B6R1.6 OCC1C=CC1 CNP0202846.0 [1,0,0,1,0,0|0,0,2]=4 674 B6R1.8 O=C1C=C1CO CNP0214079.0 [1,0,0,1,0,0|1,0,0]=3 675 B6R1.8 O=C1CC1CO CNP0073765.0 [1,0,0,1,0,0|1,0,1]=4 676 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,1,0,1,0,0|1,0,1]=4 677 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [0,1,0,1,0,0|1,0,1]=4 678 B8R1.2 C=C[C@@H]1C=CCSS1 CNP0412090.1 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.2 C=C[C@@H]1SC=CCS1 CNP0202144.2 [0,1,0,1,0,0|2,0,0]=4 680 B8R1.2 C=C[C@H]1C=CCSS1 CNP0412090.2 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.2 C=C[C@H]1SC=CCS1 CNP0202144.1 [0,1,0,1,0,0|2,0,0]=4 682 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [0,1,0,1,0,0|1,0,1]=4 683 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [0,1,0,1,0,0|1,0,1]=4 684 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [0,1,0,1,0,0|1,0,1]=4 685 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,1,0,1,0,0|1,0,1]=4 686 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [0,1,0,1,0,0|1,0,1]=4 687 B8R1.2 CC[C@@H]1C=CCSS1 CNP0292362.1 [0,1,0,1,0,0|1,1,0]=4 688 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,1,0,1,0,0|1,0,1]=4 689 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [0,1,0,1,0,0|1,0,1]=4 690 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [0,1,0,1,0,0|0,0,1]=3 691 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,1,0,0|0,0,2]=4 692 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [0,1,0,1,0,0|0,0,0]=2 693 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,1,0,1,0,0|0,0,2]=4 694 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,1,0,1,0,0|0,0,2]=4 695 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [0,1,0,1,0,0|1,0,1]=4 696 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [0,1,0,1,0,0|0,0,2]=4 697 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,1,0,1,0,0|0,0,2]=4 698 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [0,1,0,1,0,0|0,0,2]=4 699 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [0,1,0,1,0,0|0,0,2]=4 700 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [0,1,0,1,0,0|1,0,0]=3 701 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,1,0,0|1,0,1]=4 702 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,1,0,0|0,0,2]=4 703 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|0,0,2]=4 704 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,1,0,0|0,0,2]=4 705 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,1,0,0|0,0,2]=4 706 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,1,0,0|0,0,2]=4 707 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,1,0,1,0,0|1,0,1]=4 708 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,1,0,1,0,0|0,0,2]=4 709 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [0,1,0,1,0,0|0,1,1]=4 710 B8R1.8 CCOC1=CN=CS1 CNP0140020.0 [0,1,0,1,0,0|1,1,0]=4 711 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,1,0,1,0,0|0,0,2]=4 712 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,1,0,1,0,0|0,0,2]=4 713 B8R1.8 NCCC1=CN=CN1 CNP0591741.0 [0,1,0,1,0,0|2,0,0]=4 714 B8R1.8 NCCC1=CNC=N1 CNP0244923.0 [0,1,0,1,0,0|2,0,0]=4 715 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [0,1,0,1,0,0|0,0,2]=4 716 B8R1.8 O=CCC1=CN=CN1 CNP0573000.0 [0,1,0,1,0,0|1,0,1]=4 717 B8R1.8 O=CCC1=CNC=N1 CNP0083568.0 [0,1,0,1,0,0|1,0,1]=4 718 B8R1.8 O=CCC1CC=CC1 CNP0086435.0 [0,1,0,1,0,0|0,0,2]=4 719 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [0,1,0,1,0,0|0,1,1]=4 720 B8R1.8 OCCC1=CN=CN1 CNP0154248.0 [0,1,0,1,0,0|2,0,0]=4 721 B8R1.8 OCCC1=CN=CS1 CNP0283157.0 [0,1,0,1,0,0|1,1,0]=4 722 B8R1.8 OCCC1=CNC=N1 CNP0584367.0 [0,1,0,1,0,0|2,0,0]=4 723 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,1,0,0|0,0,2]=4 724 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,1,0,1,0,0|0,0,2]=4 725 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,1,0,1,0,0|1,0,1]=4 726 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,1,0,1,0,0|1,0,1]=4 727 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,1,0,0|0,0,0]=2 729 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,1,0,1,0,0|0,0,2]=4 730 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,1,0,1,0,0|0,0,2]=4 731 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,1,0,1,0,0|0,0,2]=4 732 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,1,0,1,0,0|0,0,2]=4 733 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,1,0,1,0,0|0,0,2]=4 734 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [0,1,0,1,0,0|0,0,2]=4 735 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,1,0,1,0,0|1,0,0]=3 736 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,1,0,1,0,0|1,0,0]=3 737 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,1,0,1,0,0|0,0,0]=2 738 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,1,0,1,0,0|0,0,2]=4 739 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,1,0,1,0,0|0,0,2]=4 740 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,1,0,1,0,0|0,0,2]=4 741 B8R1.49 C1#CCCC=CCC1 CNP0593767.0 [0,1,0,1,0,0|1,0,1]=4 742 B8R1.49 C1=CCC=CCC=C1 CNP0540029.0 [0,1,0,1,0,0|1,0,1]=4 743 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [0,1,0,1,0,0|1,0,1]=4 744 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [0,1,0,1,0,0|1,0,1]=4 745 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,1,0,1,0,0|0,0,2]=4 746 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,1,0,1,0,0|0,0,2]=4 747 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,1,0,1,0,0|0,0,2]=4 748 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,1,0,1,0,0|1,0,1]=4 749 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,1,0,0|0,0,2]=4 750 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [0,1,0,1,0,0|0,0,1]=3 751 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,1,0,0|0,0,2]=4 752 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,1,0,1,0,0|0,1,1]=4 753 B8R1.1 CCC1=CCC(=O)O1 CNP0001516.0 [0,1,0,1,0,0|0,0,0]=2 754 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,1,0,1,0,0|1,0,1]=4 755 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [0,1,0,1,0,0|1,1,0]=4 756 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,1,0,1,0,0|2,0,0]=4 757 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [0,1,0,1,0,0|2,0,0]=4 758 B8R1.1 CC[C@@H]1C=CC(=O)O1 CNP0332158.1 [0,1,0,1,0,0|0,0,2]=4 759 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [0,1,0,1,0,0|0,0,2]=4 760 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [0,1,0,1,0,0|0,0,2]=4 761 B8R1.1 O=CC1CC(CN1)O CNP0566799.0 [0,1,0,1,0,0|1,0,1]=4 762 B8R1.1 O=C[C@@H]1CCC(=N1)O CNP0538916.1 [0,1,0,1,0,0|1,0,0]=3 763 B8R1.3 CC1=CCC(=O)CC1 CNP0134778.0 [0,1,0,1,0,0|0,0,0]=2 764 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [0,1,0,1,0,0|0,0,2]=4 765 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [0,1,0,1,0,0|1,0,1]=4 766 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [0,1,0,1,0,0|1,0,1]=4 767 B8R1.3 O=C1C=CC(=O)CC1 CNP0076081.0 [0,1,0,1,0,0|0,0,1]=3 768 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [0,1,0,1,0,0|1,0,1]=4 769 B8R1.3 O=C1CCC(=O)CC1 CNP0521419.0 [0,1,0,1,0,0|0,0,1]=3 770 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [0,1,0,1,0,0|1,0,0]=3 771 B8R1.3 O=C1CNC(=O)CN1 CNP0395351.0 [0,1,0,1,0,0|2,0,0]=4 772 B8R1.40 C[C@H](C=O)CC1CC1 CNP0511698.1 [0,1,0,1,0,0|0,0,2]=4 773 B8R1.46 COC1=CC(=O)C1=O CNP0248390.0 [0,1,0,1,0,0|1,0,1]=4 774 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|0,0,2]=4 775 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,1,0,0|1,0,1]=4 776 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,1,0,0|0,0,2]=4 777 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,1,0,0|0,0,2]=4 778 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,1,0,0|0,0,1]=3 779 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,1,0,1,0,0|0,0,2]=4 780 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|1,0,1]=4 781 B8R1.50 CN1C(=O)CNC1=O CNP0217683.0 [0,1,0,1,0,0|2,0,0]=4 782 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,1,0,0|0,0,2]=4 783 B8R1.52 CC1(CC=CO1)C=O CNP0595974.0 [0,1,0,1,0,0|1,0,1]=4 784 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,1,0,0|0,0,2]=4 785 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,1,0,1,0,0|1,0,1]=4 786 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,1,0,0|1,0,1]=4 787 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,1,0,1,0,0|1,0,1]=4 788 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,1,0,1,0,0|1,0,1]=4 789 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,1,0,0|0,0,0]=2 790 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,1,0,1,0,0|0,0,2]=4 791 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,1,0,1,0,0|1,0,1]=4 792 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,1,0,0|0,0,2]=4 793 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,1,0,1,0,0|0,0,2]=4 794 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|0,0,2]=4 795 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|0,0,2]=4 796 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,1,0,1,0,0|0,0,2]=4 797 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|0,0,2]=4 798 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|0,0,2]=4 799 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,1,0,0|0,0,2]=4 800 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,1,0,0|1,0,1]=4 801 B8R1.4 O=C1CCNC(=O)N1 CNP0329983.0 [0,1,0,1,0,0|2,0,0]=4 802 B8R1.7 CC(=O)C1CC=CO1 CNP0077183.0 [0,1,0,1,0,0|1,0,1]=4 803 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,1,0,1,0,0|1,0,1]=4 804 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [0,1,0,1,0,0|2,0,0]=4 805 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [0,1,0,1,0,0|1,0,0]=3 806 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,1,0,1,0,0|0,0,2]=4 807 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,1,0,1,0,0|0,0,2]=4 808 B8R1.7 CC(O)C1=COC=C1 CNP0571586.0 [0,1,0,1,0,0|2,0,0]=4 809 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,1,0,1,0,0|0,0,2]=4 810 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,1,0,1,0,0|1,0,1]=4 811 B8R1.7 O=C(O)C1C=CCN1 CNP0207139.0 [0,1,0,1,0,0|1,0,0]=3 812 B8R1.7 O=C(O)C1CC=CN1 CNP0535760.0 [0,1,0,1,0,0|1,0,1]=4 813 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,1,0,1,0,0|0,0,2]=4 814 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,1,0,1,0,0|1,0,1]=4 815 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [0,1,0,1,0,0|2,0,0]=4 816 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,1,0,1,0,0|0,0,0]=2 817 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [0,1,0,1,0,0|1,0,0]=3 818 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,1,0,1,0,0|1,0,1]=4 819 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,1,0,1,0,0|1,0,1]=4 820 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,1,0,1,0,0|1,0,1]=4 821 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,1,0,1,0,0|1,0,1]=4 822 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,1,0,1,0,0|1,0,1]=4 823 B8R1.7 O=[N+]([O-])N1C=CCC1 CNP0532489.0 [0,1,0,1,0,0|2,0,0]=4 824 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,1,0,1,0,0|0,0,2]=4 825 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [0,1,0,1,0,0|1,0,1]=4 826 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,1,0,1,0,0|1,0,1]=4 827 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [0,1,0,1,0,0|1,0,1]=4 828 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [0,1,0,1,0,0|1,0,1]=4 829 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,1,0,0|1,0,1]=4 830 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,1,0,0|1,0,1]=4 831 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,1,0,0|1,0,1]=4 832 B8R1.18 C[C@@H]1NC(=O)NC1=O CNP0601377.2 [0,1,0,1,0,0|2,0,0]=4 833 B8R1.18 C[C@H]1NC(=O)NC1=O CNP0601377.1 [0,1,0,1,0,0|2,0,0]=4 834 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,1,0,0|1,0,0]=3 835 B8R2.22 C1=C[C@@H]2[C@H]1CCC2 CNP0231312.1 [0,0,0,2,0,0|1,0,1]=4 836 B8R2.38 CC1C=CC2C1C2 CNP0482788.0 [0,0,0,2,0,0|1,0,1]=4