0 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,0,0,0,0,0|0,0,2]=2 6 B6R0.1 C=C[C@@H](O)CC#N CNP0276029.1 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,0,0,0,0,0|2,0,0]=2 8 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.1 CC=CC(=CC)C CNP0535908.0 [0,0,0,0,0,0|1,0,3]=4 10 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,0,0,0,0,0|0,0,2]=2 14 B6R0.1 CCC=C(C)CO CNP0511576.0 [0,0,0,0,0,0|0,0,4]=4 15 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,0,0,0,0,0|1,0,2]=3 16 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,0,0,0,0,0|1,0,1]=2 18 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,0,0,0,0,0|2,0,2]=4 19 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,0,0,0,0,0|1,0,3]=4 20 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,0,0,0,0,0|3,0,1]=4 21 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,0,0,0,0,0|1,0,1]=2 23 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,0,0,0,0,0|0,0,0]=0 24 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,0,0,0,0,0|1,0,1]=2 25 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,0,0,0,0,0|0,0,2]=2 26 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,0,0,0,0,0|2,0,0]=2 27 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,0,0,0,0,0|1,0,1]=2 29 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,0,0,0,0,0|0,0,2]=2 30 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,0,0,0,0,0|2,0,0]=2 31 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,0,0,0,0,0|2,0,1]=3 32 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,0,0,0,0,0|4,0,0]=4 33 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.1 CCOC(C)CC CNP0086282.0 [0,0,0,0,0,0|2,0,1]=3 35 B6R0.1 CCOC(C)OC CNP0612171.0 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.1 CCO[C@H](C)OO CNP0135079.1 [0,0,0,0,0,0|2,0,1]=3 37 B6R0.1 CCSC(C)SC CNP0611888.0 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.1 CCSC(S)CC CNP0488688.0 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,0,0,0,0,0|2,0,1]=3 40 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,0,0,0,0,0|3,0,1]=4 41 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,0,0,0,0,0|2,0,1]=3 42 B6R0.1 COC[C@@H](O)CO CNP0105123.1 [0,0,0,0,0,0|2,0,2]=4 43 B6R0.1 COC[C@H](O)CO CNP0105123.2 [0,0,0,0,0,0|2,0,2]=4 44 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.1 NC(C=O)CC=O CNP0515395.0 [0,0,0,0,0,0|2,0,1]=3 46 B6R0.1 NCC[C@@H](O)CN CNP0347226.2 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.1 NCC[C@H](O)CN CNP0347226.1 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,0,0,0,0,0|2,0,1]=3 49 B6R0.1 OCC[C@H](O)CO CNP0190269.1 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.1 C=C(C)C=CC CNP0348667.0 [1,0,0,0,0,0|0,0,3]=4 52 B5R0.1 C=C(C)CCC CNP0179329.0 [1,0,0,0,0,0|0,0,1]=2 53 B5R0.1 C=C(C)CCO CNP0285127.0 [1,0,0,0,0,0|1,0,1]=3 54 B5R0.1 C=C(O)CCC CNP0003382.0 [1,0,0,0,0,0|1,0,1]=3 55 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,0,0,0,0,0|0,0,3]=4 56 B5R0.1 C=CCC(C)C CNP0293683.0 [1,0,0,0,0,0|0,0,3]=4 57 B5R0.1 C=CCC(C)O CNP0594112.0 [1,0,0,0,0,0|0,0,3]=4 58 B5R0.1 CC(=O)CCO CNP0251527.0 [1,0,0,0,0,0|1,0,1]=3 59 B5R0.1 CC(=O)CCS CNP0404753.0 [1,0,0,0,0,0|1,0,1]=3 60 B5R0.1 CC(=O)OCS CNP0547679.0 [1,0,0,0,0,0|2,0,1]=4 61 B5R0.1 CC(C)CC#N CNP0003467.0 [1,0,0,0,0,0|1,0,2]=4 62 B5R0.1 CC(C)CC=O CNP0200023.0 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.1 CC(C)CCN CNP0107663.0 [1,0,0,0,0,0|1,0,1]=3 64 B5R0.1 CC(C)CCO CNP0115711.0 [1,0,0,0,0,0|1,0,1]=3 65 B5R0.1 CC(C)CCS CNP0222694.0 [1,0,0,0,0,0|1,0,1]=3 66 B5R0.1 CC(C)CNO CNP0343206.0 [1,0,0,0,0,0|2,0,1]=4 67 B5R0.1 CC(O)CCS CNP0002409.0 [1,0,0,0,0,0|1,0,1]=3 68 B5R0.1 CC(S)CCS CNP0003105.0 [1,0,0,0,0,0|1,1,0]=3 69 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,0,0,0,0,0|0,0,3]=4 70 B5R0.1 CC=CC(C)C CNP0513218.0 [1,0,0,0,0,0|0,0,3]=4 71 B5R0.1 CC=CC(C)O CNP0150168.0 [1,0,0,0,0,0|0,0,3]=4 72 B5R0.1 CCC=C(C)C CNP0331653.0 [1,0,0,0,0,0|0,0,3]=4 73 B5R0.1 CCC=C(C)O CNP0225775.0 [1,0,0,0,0,0|0,0,3]=4 74 B5R0.1 CCCC(=O)C CNP0169448.0 [1,0,0,0,0,0|0,0,1]=2 75 B5R0.1 CCCC(=O)N CNP0115101.0 [1,0,0,0,0,0|1,0,1]=3 76 B5R0.1 CCCC(=O)O CNP0259447.0 [1,0,0,0,0,0|1,0,1]=3 77 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,0,0,0,0,0|1,0,1]=3 78 B5R0.1 CCCC(C)C CNP0319065.0 [1,0,0,0,0,0|0,0,1]=2 79 B5R0.1 CCCC(C)S CNP0029638.0 [1,0,0,0,0,0|0,1,0]=2 80 B5R0.1 CCCC(O)O CNP0076336.0 [1,0,0,0,0,0|1,0,1]=3 81 B5R0.1 CCCS(=S)O CNP0558357.0 [1,0,0,0,0,0|2,0,1]=4 82 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,0,0,0,0,0|0,0,1]=2 83 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,0,0,0,0,0|0,0,1]=2 84 B5R0.1 CCNC(=O)C CNP0260078.0 [1,0,0,0,0,0|1,0,1]=3 85 B5R0.1 CCOC(=O)C CNP0322418.0 [1,0,0,0,0,0|1,0,1]=3 86 B5R0.1 CCOC(=O)N CNP0336700.0 [1,0,0,0,0,0|2,0,1]=4 87 B5R0.1 CCOC(=O)O CNP0166515.0 [1,0,0,0,0,0|2,0,1]=4 88 B5R0.1 CCOC(C)C CNP0604172.0 [1,0,0,0,0,0|1,0,1]=3 89 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,0,0,0,0,0|1,0,1]=3 90 B5R0.1 CCSC(=O)C CNP0274861.0 [1,0,0,0,0,0|1,0,1]=3 91 B5R0.1 CCSC(C)C CNP0254931.0 [1,0,0,0,0,0|1,0,1]=3 92 B5R0.1 CCSC(C)S CNP0579398.0 [1,0,0,0,0,0|1,1,0]=3 93 B5R0.1 CN(C)CCCl CNP0328789.0 [1,0,0,0,0,0|2,0,1]=4 94 B5R0.1 CN(C)CCO CNP0230038.0 [1,0,0,0,0,0|2,0,1]=4 95 B5R0.1 CN=CC(C)C CNP0149349.0 [1,0,0,0,0,0|1,0,2]=4 96 B5R0.1 CNCC(=O)O CNP0307073.0 [1,0,0,0,0,0|2,0,1]=4 97 B5R0.1 CNCC(=O)O CNP0563704.0 [1,0,0,0,0,0|2,0,1]=4 98 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,0,0,0,0,0|2,0,1]=4 99 B5R0.1 CNCC(C)C CNP0273998.0 [1,0,0,0,0,0|1,0,1]=3 100 B5R0.1 COCC(=O)C CNP0581024.0 [1,0,0,0,0,0|1,0,1]=3 101 B5R0.1 COCC(=O)O CNP0343219.0 [1,0,0,0,0,0|2,0,1]=4 102 B5R0.1 COCC(C)C CNP0528468.0 [1,0,0,0,0,0|1,0,1]=3 103 B5R0.1 CSCC(=O)C CNP0002513.0 [1,0,0,0,0,0|1,0,1]=3 104 B5R0.1 CSCC(=O)O CNP0447839.0 [1,0,0,0,0,0|2,0,1]=4 105 B5R0.1 CSCC(C)C CNP0405087.0 [1,0,0,0,0,0|1,0,1]=3 106 B5R0.1 CSC[S@+](C)[O-] CNP0604118.1 [1,0,0,0,0,0|2,0,1]=4 107 B5R0.1 CSSC(C)C CNP0267830.0 [1,0,0,0,0,0|2,0,1]=4 108 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [1,0,0,0,0,0|1,0,2]=4 109 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,0,0,0,0,0|1,0,2]=4 110 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,0,0,0,0,0|1,0,1]=3 111 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,0,0,0,0,0|1,0,1]=3 112 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,0,0,0,0,0|2,0,1]=4 113 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,0,0,0,0,0|2,0,1]=4 114 B5R0.1 NCCC(=O)O CNP0226336.0 [1,0,0,0,0,0|2,0,1]=4 115 B5R0.1 NCCP(=O)O CNP0498602.0 [1,0,0,0,0,0|3,0,0]=4 116 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,0,0,0,0,0|3,0,0]=4 117 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,0,0,0,0,0|3,0,0]=4 118 B5R0.1 O=C(O)CCO CNP0228379.0 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.1 O=C(O)CCS CNP0097385.0 [1,0,0,0,0,0|2,0,1]=4 120 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [1,0,0,0,0,0|3,0,0]=4 121 B5R0.2 C=C=CCC=O CNP0509236.0 [1,0,0,0,0,0|0,0,3]=4 122 B5R0.2 C=CC=CCC CNP0495438.0 [1,0,0,0,0,0|1,0,2]=4 123 B5R0.2 C=CCC=CC CNP0292090.0 [1,0,0,0,0,0|1,0,2]=4 124 B5R0.2 C=CCCC#N CNP0248596.0 [1,0,0,0,0,0|2,0,1]=4 125 B5R0.2 C=CCCC=C CNP0079781.0 [1,0,0,0,0,0|1,0,2]=4 126 B5R0.2 C=CCCC=O CNP0076959.0 [1,0,0,0,0,0|0,0,2]=3 127 B5R0.2 C=CCCCC CNP0264947.0 [1,0,0,0,0,0|1,0,0]=2 128 B5R0.2 C=CCCCO CNP0003396.0 [1,0,0,0,0,0|2,0,0]=3 129 B5R0.2 C=CCOC=O CNP0541341.0 [1,0,0,0,0,0|1,0,2]=4 130 B5R0.2 C=CCSCC CNP0261096.0 [1,0,0,0,0,0|2,0,0]=3 131 B5R0.2 C=CCSSC CNP0333880.0 [1,0,0,0,0,0|3,0,0]=4 132 B5R0.2 C=CSSCC CNP0003136.0 [1,0,0,0,0,0|3,0,0]=4 133 B5R0.2 CC=CCC=O CNP0167409.0 [1,0,0,0,0,0|0,0,2]=3 134 B5R0.2 CC=CCCC CNP0419577.0 [1,0,0,0,0,0|1,0,1]=3 135 B5R0.2 CC=CCCO CNP0253382.0 [1,0,0,0,0,0|2,0,1]=4 136 B5R0.2 CCC=CC=O CNP0328747.0 [1,0,0,0,0,0|0,0,2]=3 137 B5R0.2 CCCC=CO CNP0247153.0 [1,0,0,0,0,0|0,0,2]=3 138 B5R0.2 CCCC=NO CNP0071145.0 [1,0,0,0,0,0|1,0,2]=4 139 B5R0.2 CCCCC#N CNP0357663.0 [1,0,0,0,0,0|1,0,1]=3 140 B5R0.2 CCCCC=O CNP0361186.0 [1,0,0,0,0,0|0,0,0]=1 141 B5R0.2 CCCCCBr CNP0018690.0 [1,0,0,0,0,0|1,0,1]=3 142 B5R0.2 CCCCCC CNP0269021.0 [1,0,0,0,0,0|1,0,1]=3 143 B5R0.2 CCCCCI CNP0017763.0 [1,0,0,0,0,0|1,0,1]=3 144 B5R0.2 CCCCCN CNP0203183.0 [1,0,0,0,0,0|1,0,1]=3 145 B5R0.2 CCCCCO CNP0244882.0 [1,0,0,0,0,0|0,0,2]=3 146 B5R0.2 CCCCCS CNP0260876.0 [1,0,0,0,0,0|0,1,1]=3 147 B5R0.2 CCCCNC CNP0277639.0 [1,0,0,0,0,0|2,0,0]=3 148 B5R0.2 CCCCOC CNP0609033.0 [1,0,0,0,0,0|2,0,0]=3 149 B5R0.2 CCCCSC CNP0562965.0 [1,0,0,0,0,0|2,0,0]=3 150 B5R0.2 CCCC[S+]=O CNP0521772.0 [1,0,0,0,0,0|1,0,0]=2 151 B5R0.2 CCCN=C=S CNP0077279.0 [1,0,0,0,0,0|1,1,1]=4 152 B5R0.2 CCCOC=O CNP0326097.0 [1,0,0,0,0,0|1,0,0]=2 153 B5R0.2 CCCSC#N CNP0395197.0 [1,0,0,0,0,0|2,0,1]=4 154 B5R0.2 CCCSCC CNP0316215.0 [1,0,0,0,0,0|2,0,1]=4 155 B5R0.2 CCCSSC CNP0296815.0 [1,0,0,0,0,0|3,0,0]=4 156 B5R0.2 CCNCCN CNP0281269.0 [1,0,0,0,0,0|2,0,1]=4 157 B5R0.2 CCNCCO CNP0396370.0 [1,0,0,0,0,0|1,0,2]=4 158 B5R0.2 CCOCC#N CNP0184632.0 [1,0,0,0,0,0|2,0,1]=4 159 B5R0.2 CCOCCO CNP0319988.0 [1,0,0,0,0,0|1,0,2]=4 160 B5R0.2 CCSCCN CNP0506731.0 [1,0,0,0,0,0|2,0,1]=4 161 B5R0.2 CNCCNC CNP0480039.0 [1,0,0,0,0,0|3,0,0]=4 162 B5R0.2 COCCOC CNP0144142.0 [1,0,0,0,0,0|3,0,0]=4 163 B5R0.2 CSCCC=O CNP0136743.0 [1,0,0,0,0,0|1,0,0]=2 164 B5R0.2 CSCCCN CNP0348726.0 [1,0,0,0,0,0|2,0,1]=4 165 B5R0.2 CSCCCO CNP0359993.0 [1,0,0,0,0,0|1,0,2]=4 166 B5R0.2 N#CCCC=O CNP0181263.0 [1,0,0,0,0,0|1,0,1]=3 167 B5R0.2 N#CCCCO CNP0358912.0 [1,0,0,0,0,0|2,0,1]=4 168 B5R0.2 NCCCC=O CNP0359033.0 [1,0,0,0,0,0|1,0,0]=2 169 B5R0.2 NCCCCN CNP0116270.0 [1,0,0,0,0,0|2,0,1]=4 170 B5R0.2 NCCCCO CNP0514594.0 [1,0,0,0,0,0|1,0,2]=4 171 B5R0.2 O=CC=CCO CNP0112016.0 [1,0,0,0,0,0|1,0,2]=4 172 B5R0.2 O=CCCC=O CNP0053830.0 [1,0,0,0,0,0|1,0,1]=3 173 B5R0.2 OCCCCBr CNP0083982.0 [1,0,0,0,0,0|1,0,2]=4 174 B5R0.2 OCCCCCl CNP0079807.0 [1,0,0,0,0,0|1,0,2]=4 175 B5R0.2 OCCCCO CNP0080008.0 [1,0,0,0,0,0|1,0,2]=4 176 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [1,0,0,0,0,0|2,0,0]=3 177 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,0,0,0,0,0|0,0,2]=3 178 B5R0.3 C=CC(=CC)C CNP0134384.0 [1,0,0,0,0,0|1,0,2]=4 179 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,0,0,0,0,0|2,0,0]=3 181 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,0,0,0,0,0|2,0,0]=3 182 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,0,0,0,0,0|2,0,0]=3 183 B5R0.3 CC(CO)CO CNP0282467.0 [1,0,0,0,0,0|1,0,2]=4 184 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,0,0,0,0,0|0,0,2]=3 185 B5R0.3 CC=C(C)CC CNP0247687.0 [1,0,0,0,0,0|1,0,1]=3 186 B5R0.3 CC=C(C)CO CNP0120418.0 [1,0,0,0,0,0|2,0,1]=4 187 B5R0.3 CCC(=CS)C CNP0025997.0 [1,0,0,0,0,0|0,1,1]=3 188 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,0,0,0,0,0|1,0,1]=3 189 B5R0.3 CCC(C)CC CNP0316485.0 [1,0,0,0,0,0|1,0,1]=3 190 B5R0.3 CCC(C)CS CNP0003009.0 [1,0,0,0,0,0|0,1,1]=3 191 B5R0.3 CCC(N)CC CNP0103985.0 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.3 CCC(N)NC CNP0278870.0 [1,0,0,0,0,0|3,0,0]=4 193 B5R0.3 CCC(O)CC CNP0293075.0 [1,0,0,0,0,0|2,0,1]=4 194 B5R0.3 CCC(O)CCl CNP0366953.0 [1,0,0,0,0,0|2,0,1]=4 195 B5R0.3 CCC(O)CO CNP0534149.0 [1,0,0,0,0,0|1,0,2]=4 196 B5R0.3 CCC(S)CS CNP0197461.0 [1,0,0,0,0,0|1,1,1]=4 197 B5R0.3 CCC(S)SC CNP0609154.0 [1,0,0,0,0,0|3,0,0]=4 198 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,0,0,0,0,0|0,0,0]=1 199 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,0,0,0,0,0|0,0,2]=3 200 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,0,0,0,0,0|1,0,1]=3 201 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,0,0,0,0,0|0,0,0]=1 202 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,0,0,0,0,0|1,0,1]=3 203 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,0,0,0,0,0|0,0,2]=3 204 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,0,0,0,0,0|2,0,0]=3 205 B5R0.3 CC[S+](C)CC CNP0038064.0 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.3 CC[S](C)CC CNP0523180.0 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.3 CN(C=O)CO CNP0412364.0 [1,0,0,0,0,0|2,0,0]=3 208 B5R0.3 COC(C)CO CNP0485411.0 [1,0,0,0,0,0|1,0,2]=4 209 B5R0.3 COC(C)OC CNP0122626.0 [1,0,0,0,0,0|3,0,0]=4 210 B5R0.3 CSC(C)SC CNP0610569.0 [1,0,0,0,0,0|3,0,0]=4 211 B5R0.3 O=CC(O)C=O CNP0083225.0 [1,0,0,0,0,0|2,0,1]=4 212 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,0,0,0,0,0|2,0,0]=3 213 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,1,0,0,0,0|1,0,0]=2 214 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,1,0,0,0,0|0,0,2]=3 215 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,1,0,0,0,0|1,0,1]=3 216 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [0,1,0,0,0,0|1,0,0]=2 217 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [0,1,0,0,0,0|1,0,0]=2 218 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [0,1,0,0,0,0|1,0,0]=2 219 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [0,1,0,0,0,0|1,0,0]=2 220 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [0,1,0,0,0,0|1,0,0]=2 221 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [0,1,0,0,0,0|1,0,0]=2 222 B7R0.2 CC(C)C[C@@H](N)CO CNP0295420.1 [0,1,0,0,0,0|1,0,2]=4 223 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,1,0,0,0,0|0,0,0]=1 224 B7R0.2 CC(C)C[C@H](N)CO CNP0295420.2 [0,1,0,0,0,0|1,0,2]=4 225 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,1,0,0,0,0|1,0,2]=4 226 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [0,1,0,0,0,0|1,0,1]=3 227 B7R0.2 CSC(C)SC(C)S CNP0609794.0 [0,1,0,0,0,0|3,0,0]=4 228 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [0,1,0,0,0,0|1,0,0]=2 229 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [0,1,0,0,0,0|1,0,0]=2 230 B7R0.2 N[C@H](C=O)CC(=O)O CNP0335008.1 [0,1,0,0,0,0|2,0,1]=4 231 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,1,0,0,0,0|0,0,2]=3 232 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,1,0,0,0,0|1,0,1]=3 233 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,1,0,0,0,0|2,0,1]=4 234 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,1,0,0,0,0|1,0,0]=2 235 B7R0.3 C=CC(C)CN=C=S CNP0075379.0 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [0,1,0,0,0,0|2,0,0]=3 237 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [0,1,0,0,0,0|2,0,0]=3 238 B7R0.3 CCC(C)CCCO CNP0251541.0 [0,1,0,0,0,0|1,0,1]=3 239 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,1,0,0,0,0|1,0,2]=4 240 B7R0.3 CCCCC(C)CO CNP0563062.0 [0,1,0,0,0,0|0,0,2]=3 241 B7R0.3 CCCCC(O)CO CNP0481107.0 [0,1,0,0,0,0|1,0,2]=4 242 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,1,0,0,0,0|0,0,0]=1 243 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [0,1,0,0,0,0|1,0,1]=3 244 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [0,1,0,0,0,0|1,0,1]=3 245 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [0,1,0,0,0,0|0,0,2]=3 246 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [0,1,0,0,0,0|1,0,0]=2 247 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.3 CCCSC(S)CC CNP0370062.0 [0,1,0,0,0,0|2,0,1]=4 249 B7R0.3 CCOO[C@@H](C)OO CNP0317567.1 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.3 CCOO[C@H](C)OO CNP0317567.2 [0,1,0,0,0,0|2,0,1]=4 251 B7R0.3 CCSSC(C)CC CNP0075907.0 [0,1,0,0,0,0|2,0,1]=4 252 B7R0.3 CCSSC(C)SC CNP0003141.0 [0,1,0,0,0,0|3,0,0]=4 253 B7R0.3 CSC(C)CCC#N CNP0577108.0 [0,1,0,0,0,0|2,0,1]=4 254 B7R0.3 CSCC[C@@H](N)CO CNP0371110.2 [0,1,0,0,0,0|1,0,2]=4 255 B7R0.3 CSCC[C@H](N)CO CNP0371110.1 [0,1,0,0,0,0|1,0,2]=4 256 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [0,1,0,0,0,0|1,0,1]=3 257 B7R0.3 NC(C=O)CSN=O CNP0293255.0 [0,1,0,0,0,0|3,0,0]=4 258 B7R0.5 C#CC[C@@H](N)C(=O)O CNP0149987.1 [0,1,0,0,0,0|1,0,2]=4 259 B7R0.5 C#CC[C@H](N)C(=O)O CNP0149987.2 [0,1,0,0,0,0|1,0,2]=4 260 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,1,0,0,0,0|1,0,2]=4 261 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,1,0,0,0,0|1,0,0]=2 262 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,1,0,0,0,0|1,0,2]=4 263 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,1,0,0,0,0|1,0,2]=4 264 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,1,0,0,0,0|0,0,2]=3 265 B7R0.5 C=CC[C@@H](N)C(=O)O CNP0299155.1 [0,1,0,0,0,0|1,0,2]=4 266 B7R0.5 C=CC[C@H](N)C(=O)O CNP0299155.2 [0,1,0,0,0,0|1,0,2]=4 267 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,1,0,0,0,0|1,0,2]=4 268 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,1,0,0,0,0|2,0,1]=4 269 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,1,0,0,0,0|0,0,2]=3 270 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,1,0,0,0,0|0,0,2]=3 271 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,1,0,0,0,0|1,0,1]=3 272 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,1,0,0,0,0|1,0,1]=3 273 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,1,0,0,0,0|1,0,1]=3 274 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,1,0,0,0,0|0,0,0]=1 275 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,1,0,0,0,0|0,0,0]=1 276 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,1,0,0,0,0|0,0,0]=1 277 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,1,0,0,0,0|0,0,0]=1 278 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,1,0,0,0,0|1,0,0]=2 279 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,1,0,0,0,0|1,0,0]=2 280 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,1,0,0,0,0|0,0,0]=1 281 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,1,0,0,0,0|0,0,0]=1 282 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,1,0,0,0,0|0,0,0]=1 283 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [0,1,0,0,0,0|1,0,1]=3 284 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,1,0,0,0,0|1,0,0]=2 285 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,1,0,0,0,0|1,0,0]=2 286 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,1,0,0,0,0|1,0,0]=2 287 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,1,0,0,0,0|2,0,1]=4 288 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,1,0,0,0,0|1,0,0]=2 289 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [0,1,0,0,0,0|2,0,1]=4 290 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,1,0,0,0,0|2,0,0]=3 291 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,1,0,0,0,0|2,0,0]=3 292 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,1,0,0,0,0|2,0,0]=3 293 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,1,0,0,0,0|2,0,0]=3 294 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,1,0,0,0,0|1,0,0]=2 295 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,1,0,0,0,0|1,0,0]=2 296 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,1,0,0,0,0|2,0,0]=3 297 B7R0.5 N#CC[C@@H](N)C(=O)O CNP0254991.2 [0,1,0,0,0,0|2,0,1]=4 298 B7R0.5 N#CC[C@H](N)C(=O)O CNP0254991.1 [0,1,0,0,0,0|2,0,1]=4 299 B7R0.5 NC(C[S]=O)C(=O)O CNP0289741.0 [0,1,0,0,0,0|3,0,0]=4 300 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,1,0,0,0,0|2,0,0]=3 301 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,1,0,0,0,0|2,0,0]=3 302 B7R0.5 NOCC(N)C(=O)O CNP0338620.0 [0,1,0,0,0,0|3,0,0]=4 303 B7R0.5 N[C@@H](CC=O)C(=O)O CNP0119915.1 [0,1,0,0,0,0|2,0,1]=4 304 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,1,0,0,0,0|2,0,0]=3 305 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,1,0,0,0,0|2,0,0]=3 306 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,1,0,0,0,0|2,0,0]=3 307 B7R0.5 N[C@@H](CSO)C(=O)O CNP0559160.1 [0,1,0,0,0,0|3,0,0]=4 308 B7R0.5 N[C@@H](CSS)C(=O)O CNP0101794.1 [0,1,0,0,0,0|3,0,0]=4 309 B7R0.5 N[C@@H](CS[SeH])C(=O)O CNP0603953.1 [0,1,0,0,0,0|3,0,0]=4 310 B7R0.5 N[C@@H](C[S+]=O)C(=O)O CNP0587703.1 [0,1,0,0,0,0|3,0,0]=4 311 B7R0.5 N[C@H](CC=O)C(=O)O CNP0119915.2 [0,1,0,0,0,0|2,0,1]=4 312 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,1,0,0,0,0|2,0,0]=3 313 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,1,0,0,0,0|2,0,0]=3 314 B7R0.5 N[C@H](CSS)C(=O)O CNP0101794.2 [0,1,0,0,0,0|3,0,0]=4 315 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,1,0,0,0,0|2,0,1]=4 316 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,1,0,0,0,0|2,0,0]=3 317 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,1,0,0,0,0|1,0,2]=4 318 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,1,0,0,0,0|1,0,1]=3 319 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,1,0,0,0,0|0,0,3]=4 320 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,1,0,0,0,0|2,0,1]=4 321 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,1,0,0,0,0|1,0,0]=2 322 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,1,0,0,0,0|2,0,0]=3 323 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,1,0,0,0,0|1,0,1]=3 324 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,1,0,0,0,0|0,0,0]=1 325 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,1,0,0,0,0|1,0,1]=3 326 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,1,0,0,0,0|2,0,1]=4 327 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,1,0,0,0,0|0,0,2]=3 328 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,1,0,0,0,0|1,0,1]=3 329 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,1,0,0,0,0|1,0,2]=4 330 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,1,0,0,0,0|0,0,2]=3 331 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,1,0,0,0,0|1,0,1]=3 332 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,1,0,0,0,0|1,0,2]=4 333 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,1,0,0,0,0|2,0,1]=4 334 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,1,0,0,0,0|2,0,1]=4 335 B7R0.7 CCSC(C)SSC CNP0156066.0 [0,1,0,0,0,0|2,1,0]=4 336 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,1,0,0,0,0|2,0,1]=4 337 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [0,1,0,0,0,0|1,0,2]=4 338 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [0,1,0,0,0,0|1,0,2]=4 339 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [0,1,0,0,0,0|1,0,2]=4 340 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [0,1,0,0,0,0|1,0,2]=4 341 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,1,0,0,0,0|1,0,0]=2 342 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,1,0,0,0,0|0,0,0]=1 343 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [0,1,0,0,0,0|0,0,2]=3 344 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [0,1,0,0,0,0|1,0,1]=3 345 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [0,1,0,0,0,0|1,0,1]=3 346 B7R0.10 CC[C@H](C)[C@H](N)CO CNP0145696.1 [0,1,0,0,0,0|1,0,2]=4 347 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [0,1,0,0,0,0|1,0,1]=3 348 B7R0.10 N=CC(O)C(O)CO CNP0082119.0 [0,1,0,0,0,0|3,0,0]=4 349 B7R0.10 N[C@@H](C=O)[C@@H](O)CO CNP0312963.1 [0,1,0,0,0,0|2,0,0]=3 350 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [0,1,0,0,0,0|2,0,0]=3 351 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [0,1,0,0,0,0|1,0,1]=3 352 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [0,1,0,0,0,0|1,0,1]=3 353 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [0,1,0,0,0,0|2,0,1]=4 354 B7R0.11 CCOC(C)(C)OC CNP0608393.0 [0,1,0,0,0,0|3,0,0]=4 355 B7R0.11 CCSC(C)(C)CC CNP0230254.0 [0,1,0,0,0,0|2,0,1]=4 356 B7R0.11 CSSC(C)(C)C=O CNP0002675.0 [0,1,0,0,0,0|2,0,0]=3 357 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [0,1,0,0,0,0|1,0,2]=4 358 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [0,1,0,0,0,0|1,0,1]=3 359 B7R0.12 CCCC(CC)CC CNP0154770.0 [0,1,0,0,0,0|1,0,1]=3 360 B7R0.12 CCCN(CC)CC CNP0172466.0 [0,1,0,0,0,0|2,0,1]=4 361 B7R0.12 CCSC(CC)CC CNP0199582.0 [0,1,0,0,0,0|2,0,1]=4 362 B7R0.12 COC[C@H](CO)OC CNP0279745.1 [0,1,0,0,0,0|1,0,2]=4 363 B7R0.12 O=CN[C@H](C=O)CS CNP0344446.1 [0,1,0,0,0,0|2,0,1]=4 364 B7R1.1 C=CC1OCCO1 CNP0206238.0 [0,0,0,1,0,0|3,0,0]=4 365 B7R1.1 CCC1CCCC1 CNP0273207.0 [0,0,0,1,0,0|1,0,1]=3 366 B7R1.1 NC[C@@H]1CCCN1 CNP0565632.1 [0,0,0,1,0,0|2,0,1]=4 367 B7R1.1 O=CN1CCCC1 CNP0081536.0 [0,0,0,1,0,0|1,0,0]=2 368 B7R1.1 O=NN1CCCC1 CNP0169288.0 [0,0,0,1,0,0|2,0,0]=3 369 B7R1.1 O=NN1CCSC1 CNP0462467.0 [0,0,0,1,0,0|3,0,0]=4 370 B7R1.1 OC[C@@H]1CCCN1 CNP0083051.2 [0,0,0,1,0,0|1,0,2]=4 371 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,0,0,1,0,0|1,0,2]=4 372 B7R1.1 OC[C@H]1CCCN1 CNP0083051.1 [0,0,0,1,0,0|1,0,2]=4 373 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,0,0,1,0,0|1,0,2]=4 374 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,0,0,1,0,0|2,0,0]=3 375 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,0,0,1,0,0|1,1,1]=4 376 B7R1.2 CC1CCC(C1)O CNP0608388.0 [0,0,0,1,0,0|2,0,1]=4 377 B7R1.2 CC1CCC(S1)C CNP0003500.0 [0,0,0,1,0,0|2,0,1]=4 378 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [0,0,0,1,0,0|1,0,1]=3 379 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,0,0,1,0,0|2,0,1]=4 380 B7R1.2 C[C@@H]1SS[C@@H](S1)C CNP0162364.1 [0,0,0,1,0,0|2,1,0]=4 381 B7R1.3 BrC1CCCCC1 CNP0085881.0 [0,0,0,1,0,0|2,0,1]=4 382 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,0,0,1,0,0|1,0,2]=4 383 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,0,0,1,0,0|1,0,1]=3 384 B7R1.3 CC1CCCCC1 CNP0191222.0 [0,0,0,1,0,0|1,0,1]=3 385 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,0,0,1,0,0|2,0,0]=3 386 B7R1.3 CC1CCNCC1 CNP0080033.0 [0,0,0,1,0,0|2,0,1]=4 387 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,0,0,1,0,0|3,0,0]=4 388 B7R1.3 CC1SCCSS1 CNP0344509.0 [0,0,0,1,0,0|2,1,0]=4 389 B7R1.3 CN1CCCCC1 CNP0325316.0 [0,0,0,1,0,0|2,0,1]=4 390 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,0,0,1,0,0|1,0,2]=4 391 B7R1.3 C[C@@H]1CCCCN1 CNP0238241.1 [0,0,0,1,0,0|2,0,0]=3 392 B7R1.3 C[C@@H]1CCSSS1 CNP0310531.2 [0,0,0,1,0,0|2,1,0]=4 393 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,0,0,1,0,0|3,0,0]=4 394 B7R1.3 C[C@H]1CCCCN1 CNP0238241.2 [0,0,0,1,0,0|2,0,0]=3 395 B7R1.3 C[C@H]1CCSSS1 CNP0310531.1 [0,0,0,1,0,0|2,1,0]=4 396 B7R1.3 NC1CCCCC1 CNP0149842.0 [0,0,0,1,0,0|2,0,1]=4 397 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,0,0,1,0,0|2,0,1]=4 398 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,0,0,1,0,0|2,0,1]=4 399 B7R1.3 OC1CCCCC1 CNP0213861.0 [0,0,0,1,0,0|2,0,1]=4 400 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,0,0,1,0,0|2,0,0]=3 401 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,0,0,1,0,0|2,0,0]=3 402 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,0,0,1,0,0|1,0,2]=4 403 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,0,0,1,0,0|3,0,0]=4 404 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,1,0,0|1,0,1]=3 405 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,0,0,1,0,0|1,1,1]=4 406 B7R1.4 CC1=C(CCS1)S CNP0191881.0 [0,0,0,1,0,0|1,1,1]=4 407 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,1,0,0|0,0,2]=3 408 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,1,0,0|1,0,2]=4 409 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,1,0,0|2,0,1]=4 410 B7R1.4 CC1COCC1=O CNP0611227.0 [0,0,0,1,0,0|1,0,0]=2 411 B7R1.4 CC1OCCC1O CNP0002607.0 [0,0,0,1,0,0|1,0,2]=4 412 B7R1.4 CC1OCCC1S CNP0002942.0 [0,0,0,1,0,0|1,1,1]=4 413 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,0,0,1,0,0|1,0,0]=2 414 B7R1.4 CC1SCCC1O CNP0179885.0 [0,0,0,1,0,0|1,0,2]=4 415 B7R1.4 CC1SCCC1S CNP0002610.0 [0,0,0,1,0,0|1,1,1]=4 416 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,1,0,0|1,0,2]=4 417 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,0,0,1,0,0|1,0,0]=2 418 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,0,0,1,0,0|2,1,0]=4 419 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,0,0,1,0,0|0,0,0]=1 420 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [0,0,0,1,0,0|1,0,1]=3 421 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [0,0,0,1,0,0|1,0,1]=3 422 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [0,0,0,1,0,0|0,0,2]=3 423 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,0,0,1,0,0|1,0,0]=2 424 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,0,0,1,0,0|1,0,0]=2 425 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,0,0,1,0,0|0,0,0]=1 426 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [0,0,0,1,0,0|1,0,1]=3 427 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,0,0,1,0,0|1,0,0]=2 428 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,0,0,1,0,0|1,0,0]=2 429 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,0,0,1,0,0|2,0,0]=3 430 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,0,0,1,0,0|3,0,0]=4 431 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,0,0,1,0,0|2,0,0]=3 432 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,0,0,1,0,0|2,0,0]=3 433 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,0,0,1,0,0|3,0,0]=4 434 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,1,0,0|1,0,2]=4 435 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,0,0,1,0,0|1,0,1]=3 436 B7R1.4 O=C1COCC1S CNP0188638.0 [0,0,0,1,0,0|2,0,0]=3 437 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,0,0,1,0,0|2,0,0]=3 438 B7R1.4 OC1CCCC1O CNP0519159.0 [0,0,0,1,0,0|1,0,2]=4 439 B7R1.4 SC1CCCC1S CNP0098071.0 [0,0,0,1,0,0|1,1,1]=4 440 B7R1.5 C=C1C[C@@H]1CC#N CNP0326254.1 [0,0,0,1,0,0|2,0,1]=4 441 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,0,0,1,0,0|2,0,1]=4 442 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [0,0,0,1,0,0|2,0,0]=3 443 B7R1.8 CCC1CCC1O CNP0521190.0 [0,0,0,1,0,0|2,0,1]=4 444 B7R1.25 CCC1(CCC1)O CNP0591933.0 [0,0,0,1,0,0|2,0,1]=4 445 B4R0.1 C#CC(C)C CNP0586699.0 [2,0,0,0,0,0|1,0,1]=4 446 B4R0.1 C=C(C)C=O CNP0479149.0 [2,0,0,0,0,0|0,0,2]=4 447 B4R0.1 C=C(C)CC CNP0605035.0 [2,0,0,0,0,0|0,0,1]=3 448 B4R0.1 C=C(C)CO CNP0505353.0 [2,0,0,0,0,0|1,0,1]=4 449 B4R0.1 C=CC(C)C CNP0589769.0 [2,0,0,0,0,0|1,0,0]=3 450 B4R0.1 C=C[C@@H](C)O CNP0512445.2 [2,0,0,0,0,0|2,0,0]=4 451 B4R0.1 C=C[C@H](C)O CNP0512445.1 [2,0,0,0,0,0|2,0,0]=4 452 B4R0.1 CC(=O)C=O CNP0574322.0 [2,0,0,0,0,0|1,0,1]=4 453 B4R0.1 CC(=O)CBr CNP0602861.0 [2,0,0,0,0,0|1,0,1]=4 454 B4R0.1 CC(=O)CI CNP0515381.0 [2,0,0,0,0,0|1,0,1]=4 455 B4R0.1 CC(=O)CN CNP0602829.0 [2,0,0,0,0,0|1,0,1]=4 456 B4R0.1 CC(=O)CO CNP0487266.0 [2,0,0,0,0,0|1,0,1]=4 457 B4R0.1 CC(=O)CS CNP0514893.0 [2,0,0,0,0,0|1,0,1]=4 458 B4R0.1 CC(C)C=O CNP0511471.0 [2,0,0,0,0,0|0,0,0]=2 459 B4R0.1 CC(C)C=[17O] CNP0484940.0 [2,0,0,0,0,0|0,0,0]=2 460 B4R0.1 CC(C)CN CNP0490050.0 [2,0,0,0,0,0|1,0,1]=4 461 B4R0.1 CC(C)CO CNP0493868.0 [2,0,0,0,0,0|0,0,2]=4 462 B4R0.1 CC(C)CS CNP0494383.0 [2,0,0,0,0,0|0,1,1]=4 463 B4R0.1 CC(N)C=O CNP0531209.0 [2,0,0,0,0,0|1,0,0]=3 464 B4R0.1 CC(N)CN CNP0579261.0 [2,0,0,0,0,0|2,0,0]=4 465 B4R0.1 CC(S)CS CNP0488983.0 [2,0,0,0,0,0|1,1,0]=4 466 B4R0.1 CC=C(C)C CNP0502707.0 [2,0,0,0,0,0|1,0,1]=4 467 B4R0.1 CCC(=O)Br CNP0583620.0 [2,0,0,0,0,0|1,0,1]=4 468 B4R0.1 CCC(=O)C CNP0486447.0 [2,0,0,0,0,0|0,0,1]=3 469 B4R0.1 CCC(=O)Cl CNP0502198.0 [2,0,0,0,0,0|1,0,1]=4 470 B4R0.1 CCC(=O)I CNP0549008.0 [2,0,0,0,0,0|1,0,1]=4 471 B4R0.1 CCC(=O)N CNP0512752.0 [2,0,0,0,0,0|1,0,1]=4 472 B4R0.1 CCC(=O)O CNP0572679.0 [2,0,0,0,0,0|1,0,1]=4 473 B4R0.1 CCC(=O)[O-] CNP0505645.0 [2,0,0,0,0,0|1,0,1]=4 474 B4R0.1 CCC(=O)[O-] CNP0584211.0 [2,0,0,0,0,0|1,0,1]=4 475 B4R0.1 CCC(=O)[O-] CNP0604604.0 [2,0,0,0,0,0|1,0,1]=4 476 B4R0.1 CCC(C)C CNP0492867.0 [2,0,0,0,0,0|0,0,1]=3 477 B4R0.1 CCC(C)N CNP0520467.0 [2,0,0,0,0,0|1,0,0]=3 478 B4R0.1 CCC(O)O CNP0533578.0 [2,0,0,0,0,0|1,0,1]=4 479 B4R0.1 CCC(O)S CNP0612126.0 [2,0,0,0,0,0|1,0,1]=4 480 B4R0.1 CC[C@@H](C)O CNP0577352.1 [2,0,0,0,0,0|0,0,1]=3 481 B4R0.1 CC[C@@H](C)S CNP0572211.1 [2,0,0,0,0,0|0,1,0]=3 482 B4R0.1 CC[C@H](C)O CNP0577352.2 [2,0,0,0,0,0|0,0,1]=3 483 B4R0.1 CN(C)C=O CNP0566193.0 [2,0,0,0,0,0|1,0,0]=3 484 B4R0.1 CN(C)C=S CNP0516551.0 [2,0,0,0,0,0|1,1,0]=4 485 B4R0.1 CN(C)N=O CNP0503536.0 [2,0,0,0,0,0|2,0,0]=4 486 B4R0.1 CN(N)C=O CNP0593819.0 [2,0,0,0,0,0|2,0,0]=4 487 B4R0.1 CNC(=O)C CNP0491397.0 [2,0,0,0,0,0|1,0,1]=4 488 B4R0.1 CNC(C)C CNP0489071.0 [2,0,0,0,0,0|1,0,1]=4 489 B4R0.1 COC(=O)C CNP0578880.0 [2,0,0,0,0,0|1,0,1]=4 490 B4R0.1 CSC(=O)C CNP0491622.0 [2,0,0,0,0,0|1,0,1]=4 491 B4R0.1 CSC(C)C CNP0486491.0 [2,0,0,0,0,0|1,0,1]=4 492 B4R0.1 CSC(C)S CNP0497634.0 [2,0,0,0,0,0|1,1,0]=4 493 B4R0.1 C[C@@H](Cl)CCl CNP0573757.1 [2,0,0,0,0,0|2,0,0]=4 494 B4R0.1 C[C@@H](N)CO CNP0589695.1 [2,0,0,0,0,0|2,0,0]=4 495 B4R0.1 C[C@@H](O)C=O CNP0482941.1 [2,0,0,0,0,0|1,0,0]=3 496 B4R0.1 C[C@@H](O)CO CNP0522839.2 [2,0,0,0,0,0|1,0,1]=4 497 B4R0.1 C[C@H](N)CO CNP0589695.2 [2,0,0,0,0,0|2,0,0]=4 498 B4R0.1 C[C@H](O)C=O CNP0482941.2 [2,0,0,0,0,0|1,0,0]=3 499 B4R0.1 C[C@H](O)CBr CNP0593715.1 [2,0,0,0,0,0|1,0,1]=4 500 B4R0.1 C[C@H](O)CN CNP0571248.1 [2,0,0,0,0,0|1,0,1]=4 501 B4R0.1 C[C@H](O)CO CNP0522839.1 [2,0,0,0,0,0|1,0,1]=4 502 B4R0.1 C[C](C)C=O CNP0568847.0 [2,0,0,0,0,0|0,0,1]=3 503 B4R0.1 O=CC(Br)Br CNP0551465.0 [2,0,0,0,0,0|2,0,0]=4 504 B4R0.1 O=CC(Cl)Cl CNP0500598.0 [2,0,0,0,0,0|2,0,0]=4 505 B4R0.2 C#CCC=O CNP0596193.0 [2,0,0,0,0,0|0,0,2]=4 506 B4R0.2 C#CCCC CNP0510243.0 [2,0,0,0,0,0|0,0,2]=4 507 B4R0.2 C=C=CCC CNP0484675.0 [2,0,0,0,0,0|0,0,2]=4 508 B4R0.2 C=CCCC CNP0529271.0 [2,0,0,0,0,0|0,0,1]=3 509 B4R0.2 C=CCCN CNP0493733.0 [2,0,0,0,0,0|1,0,1]=4 510 B4R0.2 C=CCCO CNP0599473.0 [2,0,0,0,0,0|1,0,1]=4 511 B4R0.2 C=CCSC CNP0572475.0 [2,0,0,0,0,0|1,0,1]=4 512 B4R0.2 C=CC[Se]C CNP0612039.0 [2,0,0,0,0,0|1,0,1]=4 513 B4R0.2 C=COCC CNP0567970.0 [2,0,0,0,0,0|1,0,1]=4 514 B4R0.2 C=CSCC CNP0581257.0 [2,0,0,0,0,0|1,0,1]=4 515 B4R0.2 CC#CCC CNP0516358.0 [2,0,0,0,0,0|0,0,2]=4 516 B4R0.2 CC=CC=O CNP0576575.0 [2,0,0,0,0,0|0,0,2]=4 517 B4R0.2 CC=CCC CNP0524560.0 [2,0,0,0,0,0|0,0,2]=4 518 B4R0.2 CCC=S=O CNP0514855.0 [2,0,0,0,0,0|1,0,1]=4 519 B4R0.2 CCCC=O CNP0518034.0 [2,0,0,0,0,0|0,0,0]=2 520 B4R0.2 CCCCC CNP0486380.0 [2,0,0,0,0,0|0,0,0]=2 521 B4R0.2 CCCCI CNP0558480.0 [2,0,0,0,0,0|1,0,0]=3 522 B4R0.2 CCCCN CNP0597509.0 [2,0,0,0,0,0|1,0,0]=3 523 B4R0.2 CCCCO CNP0505612.0 [2,0,0,0,0,0|0,0,1]=3 524 B4R0.2 CCCCS CNP0598878.0 [2,0,0,0,0,0|0,1,0]=3 525 B4R0.2 CCCNC CNP0599313.0 [2,0,0,0,0,0|1,0,0]=3 526 B4R0.2 CCCOC CNP0609062.0 [2,0,0,0,0,0|1,0,0]=3 527 B4R0.2 CCCSC CNP0481317.0 [2,0,0,0,0,0|1,0,0]=3 528 B4R0.2 CCCSO CNP0594110.0 [2,0,0,0,0,0|1,0,1]=4 529 B4R0.2 CCNCC CNP0491960.0 [2,0,0,0,0,0|1,0,0]=3 530 B4R0.2 CCOC=O CNP0525155.0 [2,0,0,0,0,0|1,0,0]=3 531 B4R0.2 CCOCC CNP0572765.0 [2,0,0,0,0,0|1,0,0]=3 532 B4R0.2 CCON=O CNP0596964.0 [2,0,0,0,0,0|2,0,0]=4 533 B4R0.2 CCSCC CNP0518873.0 [2,0,0,0,0,0|1,0,0]=3 534 B4R0.2 CCSSC CNP0571147.0 [2,0,0,0,0,0|2,0,0]=4 535 B4R0.2 CNCCN CNP0496542.0 [2,0,0,0,0,0|2,0,0]=4 536 B4R0.2 CNCCO CNP0513801.0 [2,0,0,0,0,0|1,0,1]=4 537 B4R0.2 COCCI CNP0495552.0 [2,0,0,0,0,0|2,0,0]=4 538 B4R0.2 COCCO CNP0561250.0 [2,0,0,0,0,0|1,0,1]=4 539 B4R0.2 COCC[Si] CNP0501162.0 [2,0,0,0,0,0|1,1,0]=4 540 B4R0.2 CSCC=O CNP0555203.0 [2,0,0,0,0,0|1,0,0]=3 541 B4R0.2 CSCCO CNP0574269.0 [2,0,0,0,0,0|1,0,1]=4 542 B4R0.2 CSCSC CNP0591427.0 [2,0,0,0,0,0|2,0,0]=4 543 B4R0.2 NCCC=O CNP0502520.0 [2,0,0,0,0,0|1,0,0]=3 544 B4R0.2 NCCCN CNP0566837.0 [2,0,0,0,0,0|2,0,0]=4 545 B4R0.2 NCCCO CNP0538228.0 [2,0,0,0,0,0|1,0,1]=4 546 B4R0.2 NCCCS CNP0560812.0 [2,0,0,0,0,0|1,1,0]=4 547 B4R0.2 O=CCC=O CNP0495847.0 [2,0,0,0,0,0|1,0,1]=4 548 B4R0.2 O=CCCO CNP0525339.0 [2,0,0,0,0,0|1,0,0]=3 549 B4R0.2 OCCCBr CNP0506989.0 [2,0,0,0,0,0|1,0,1]=4 550 B4R0.2 OCCCO CNP0503416.0 [2,0,0,0,0,0|1,0,1]=4 551 B4R0.2 OCCCS CNP0586497.0 [2,0,0,0,0,0|1,0,1]=4 552 B4R0.2 SCCCS CNP0528691.0 [2,0,0,0,0,0|1,1,0]=4 553 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [2,0,0,0,0,0|1,0,1]=4 554 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,1,0,0,0,0|0,0,2]=4 555 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,1,0,0,0,0|0,0,2]=4 556 B6R0.2 CC(=O)CC(=O)C CNP0267628.0 [1,1,0,0,0,0|0,0,2]=4 557 B6R0.2 CC(=O)CC(C)C CNP0178924.0 [1,1,0,0,0,0|0,0,1]=3 558 B6R0.2 CC(=O)C[C@@H](C)O CNP0209002.1 [1,1,0,0,0,0|0,0,1]=3 559 B6R0.2 CC(=O)C[C@H](C)O CNP0209002.2 [1,1,0,0,0,0|0,0,1]=3 560 B6R0.2 CC(=O)OC(C)C CNP0234567.0 [1,1,0,0,0,0|1,0,1]=4 561 B6R0.2 CC(C)CC(=O)N CNP0512695.0 [1,1,0,0,0,0|1,0,1]=4 562 B6R0.2 CC(C)CC(C)C CNP0241759.0 [1,1,0,0,0,0|0,0,1]=3 563 B6R0.2 CC(C)CC(C)O CNP0493734.0 [1,1,0,0,0,0|0,0,1]=3 564 B6R0.2 CC(C)C[C@@H](C)N CNP0556567.1 [1,1,0,0,0,0|0,0,1]=3 565 B6R0.2 CC(C)C[S@@+](C)[O-] CNP0553779.1 [1,1,0,0,0,0|1,0,1]=4 566 B6R0.2 CC(C)C[S@@H+](C)[O-] CNP0593384.1 [1,1,0,0,0,0|1,0,1]=4 567 B6R0.2 CC(C)NC(C)C CNP0209283.0 [1,1,0,0,0,0|1,0,1]=4 568 B6R0.2 CC(C)SC(C)C CNP0213199.0 [1,1,0,0,0,0|1,0,1]=4 569 B6R0.2 CC(O)CC(=O)N CNP0217857.0 [1,1,0,0,0,0|1,0,1]=4 570 B6R0.2 CC(S)SC(C)S CNP0174729.0 [1,1,0,0,0,0|1,1,0]=4 571 B6R0.2 C[C@@H](N)CC(=O)O CNP0287180.2 [1,1,0,0,0,0|1,0,1]=4 572 B6R0.2 C[C@@H](O)CC(=O)O CNP0161860.1 [1,1,0,0,0,0|1,0,1]=4 573 B6R0.2 C[C@@H](O)C[C@@H](C)O CNP0138640.1 [1,1,0,0,0,0|0,0,1]=3 574 B6R0.2 C[C@H](N)CC(=O)O CNP0287180.1 [1,1,0,0,0,0|1,0,1]=4 575 B6R0.2 C[C@H](O)CC(=O)O CNP0161860.2 [1,1,0,0,0,0|1,0,1]=4 576 B6R0.2 C[C@H]([13CH3])CC(=O)O CNP0175489.1 [1,1,0,0,0,0|1,0,1]=4 577 B6R0.3 C=C(C)[C@H](C)CC CNP0076705.1 [1,1,0,0,0,0|0,0,1]=3 578 B6R0.3 CC(C)C(C)CO CNP0127606.0 [1,1,0,0,0,0|1,0,1]=4 579 B6R0.3 CC(C)[C@@H](N)CO CNP0177308.2 [1,1,0,0,0,0|1,0,1]=4 580 B6R0.3 CC(C)[C@@H](S)CO CNP0191310.1 [1,1,0,0,0,0|1,0,1]=4 581 B6R0.3 CC(C)[C@H](N)CO CNP0177308.1 [1,1,0,0,0,0|1,0,1]=4 582 B6R0.3 CCC(=O)C(=O)C CNP0311036.0 [1,1,0,0,0,0|0,0,2]=4 583 B6R0.3 CCC(=O)C(C)C CNP0169958.0 [1,1,0,0,0,0|0,0,2]=4 584 B6R0.3 CCC(=O)C(C)S CNP0003027.0 [1,1,0,0,0,0|0,1,1]=4 585 B6R0.3 CCC(=O)[C@H](C)N CNP0316941.1 [1,1,0,0,0,0|1,0,1]=4 586 B6R0.3 CCC(=O)[C@H](C)O CNP0287252.1 [1,1,0,0,0,0|0,0,2]=4 587 B6R0.3 CCC(O)C(=O)C CNP0413470.0 [1,1,0,0,0,0|0,0,1]=3 588 B6R0.3 CCC(O)C(C)C CNP0265736.0 [1,1,0,0,0,0|0,0,1]=3 589 B6R0.3 CCC(O)C(C)O CNP0519497.0 [1,1,0,0,0,0|0,0,1]=3 590 B6R0.3 CCC(S)C(=O)C CNP0064467.0 [1,1,0,0,0,0|0,0,1]=3 591 B6R0.3 CCC(S)C(C)C CNP0611989.0 [1,1,0,0,0,0|0,0,1]=3 592 B6R0.3 CC[C@@H](C)C(=O)C CNP0151175.1 [1,1,0,0,0,0|0,0,1]=3 593 B6R0.3 CC[C@@H](C)C(=O)Cl CNP0146254.2 [1,1,0,0,0,0|1,0,1]=4 594 B6R0.3 CC[C@@H](C)C(=O)N CNP0157695.1 [1,1,0,0,0,0|1,0,1]=4 595 B6R0.3 CC[C@@H](C)C(=O)O CNP0187792.1 [1,1,0,0,0,0|1,0,1]=4 596 B6R0.3 CC[C@@H](C)C(O)O CNP0597016.1 [1,1,0,0,0,0|1,0,1]=4 597 B6R0.3 CC[C@@H](C)[C@@H](C)O CNP0061619.1 [1,1,0,0,0,0|0,0,1]=3 598 B6R0.3 CC[C@@H](N)C(=O)O CNP0243222.1 [1,1,0,0,0,0|1,0,1]=4 599 B6R0.3 CC[C@@H](O)C(=O)C CNP0413470.1 [1,1,0,0,0,0|0,0,1]=3 600 B6R0.3 CC[C@@H](O)C(=O)O CNP0162708.1 [1,1,0,0,0,0|1,0,1]=4 601 B6R0.3 CC[C@H](C)C(=O)C CNP0151175.2 [1,1,0,0,0,0|0,0,1]=3 602 B6R0.3 CC[C@H](C)C(=O)Cl CNP0146254.1 [1,1,0,0,0,0|1,0,1]=4 603 B6R0.3 CC[C@H](C)C(=O)N CNP0157695.2 [1,1,0,0,0,0|1,0,1]=4 604 B6R0.3 CC[C@H](C)C(=O)O CNP0187792.2 [1,1,0,0,0,0|1,0,1]=4 605 B6R0.3 CC[C@H](C)C(C)C CNP0304167.1 [1,1,0,0,0,0|0,0,1]=3 606 B6R0.3 CC[C@H](C)[C@@H](C)O CNP0061619.2 [1,1,0,0,0,0|0,0,1]=3 607 B6R0.3 CC[C@H](N)C(=O)O CNP0243222.3 [1,1,0,0,0,0|1,0,1]=4 608 B6R0.3 CC[C@H](O)C(=O)O CNP0162708.2 [1,1,0,0,0,0|1,0,1]=4 609 B6R0.3 CO[C@@H](C)C(=O)C CNP0325332.1 [1,1,0,0,0,0|1,0,1]=4 610 B6R0.3 CSC(C)C(=O)C CNP0075921.0 [1,1,0,0,0,0|1,0,1]=4 611 B6R0.3 CSC(C)C(C)C CNP0245218.0 [1,1,0,0,0,0|1,0,1]=4 612 B6R0.3 C[C@@H](O)[C@@H](C)CO CNP0424442.1 [1,1,0,0,0,0|1,0,1]=4 613 B6R0.3 C[C@@H](O)[C@@H](O)CO CNP0199934.3 [1,1,0,0,0,0|1,0,1]=4 614 B6R0.3 C[C@@H](O)[C@H](N)CO CNP0049541.1 [1,1,0,0,0,0|1,0,1]=4 615 B6R0.3 C[C@@H](O)[C@H](O)CO CNP0199934.1 [1,1,0,0,0,0|1,0,1]=4 616 B6R0.3 C[C@H](O)[C@H](O)CO CNP0199934.2 [1,1,0,0,0,0|1,0,1]=4 617 B6R0.4 C=C(C)CCSC CNP0330891.0 [1,1,0,0,0,0|0,0,1]=3 618 B6R0.4 C=CCCC(=O)C CNP0610109.0 [1,1,0,0,0,0|0,0,2]=4 619 B6R0.4 C=CCCC(C)O CNP0519217.0 [1,1,0,0,0,0|0,0,2]=4 620 B6R0.4 CC(=O)CCC=O CNP0261239.0 [1,1,0,0,0,0|0,0,2]=4 621 B6R0.4 CC(=O)NCCN CNP0182526.0 [1,1,0,0,0,0|1,0,1]=4 622 B6R0.4 CC(=O)NCCO CNP0304709.0 [1,1,0,0,0,0|1,0,1]=4 623 B6R0.4 CC(=O)NCCS CNP0516453.0 [1,1,0,0,0,0|1,0,1]=4 624 B6R0.4 CC(=O)OCCI CNP0274212.0 [1,1,0,0,0,0|1,0,1]=4 625 B6R0.4 CC(=O)OCCN CNP0165405.0 [1,1,0,0,0,0|1,0,1]=4 626 B6R0.4 CC(=O)OCCO CNP0589275.0 [1,1,0,0,0,0|1,0,1]=4 627 B6R0.4 CC(C)CCC#N CNP0386277.0 [1,1,0,0,0,0|0,0,2]=4 628 B6R0.4 CC(C)CCC=O CNP0198082.0 [1,1,0,0,0,0|0,0,2]=4 629 B6R0.4 CC(C)CCCO CNP0344466.0 [1,1,0,0,0,0|0,0,1]=3 630 B6R0.4 CC(C)NCCN CNP0082470.0 [1,1,0,0,0,0|1,0,1]=4 631 B6R0.4 CC(C)NCCO CNP0141461.0 [1,1,0,0,0,0|1,0,1]=4 632 B6R0.4 CC(C)OCCO CNP0079907.0 [1,1,0,0,0,0|1,0,1]=4 633 B6R0.4 CC=CCC(C)C CNP0081831.0 [1,1,0,0,0,0|0,0,2]=4 634 B6R0.4 CC=CCC(C)O CNP0217280.0 [1,1,0,0,0,0|0,0,2]=4 635 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,1,0,0,0,0|0,0,2]=4 636 B6R0.4 CCCC=C(C)O CNP0268446.0 [1,1,0,0,0,0|0,0,2]=4 637 B6R0.4 CCCCC(=O)C CNP0194685.0 [1,1,0,0,0,0|0,0,1]=3 638 B6R0.4 CCCCC(=O)N CNP0248834.0 [1,1,0,0,0,0|1,0,1]=4 639 B6R0.4 CCCCC(=O)O CNP0144818.0 [1,1,0,0,0,0|1,0,1]=4 640 B6R0.4 CCCCC(C)C CNP0312749.0 [1,1,0,0,0,0|0,0,1]=3 641 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [1,1,0,0,0,0|1,0,1]=4 642 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [1,1,0,0,0,0|0,0,1]=3 643 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [1,1,0,0,0,0|0,0,1]=3 644 B6R0.4 CCCNC(=O)C CNP0115400.0 [1,1,0,0,0,0|0,0,1]=3 645 B6R0.4 CCCOC(=O)C CNP0274142.0 [1,1,0,0,0,0|0,0,1]=3 646 B6R0.4 CCCSC(=O)C CNP0076500.0 [1,1,0,0,0,0|0,0,1]=3 647 B6R0.4 CCCSC(C)C CNP0228244.0 [1,1,0,0,0,0|0,0,1]=3 648 B6R0.4 CCCSC(C)S CNP0609747.0 [1,1,0,0,0,0|0,1,0]=3 649 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [1,1,0,0,0,0|1,0,1]=4 650 B6R0.4 CCNCC(=O)O CNP0076362.0 [1,1,0,0,0,0|1,0,1]=4 651 B6R0.4 CCNCC(C)C CNP0165310.0 [1,1,0,0,0,0|0,0,1]=3 652 B6R0.4 CCOCC(=O)N CNP0329352.0 [1,1,0,0,0,0|1,0,1]=4 653 B6R0.4 CCOCC(=O)O CNP0229583.0 [1,1,0,0,0,0|1,0,1]=4 654 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [1,1,0,0,0,0|0,0,1]=3 655 B6R0.4 CCSCC(C)C CNP0208462.0 [1,1,0,0,0,0|0,0,1]=3 656 B6R0.4 CCSSC(C)C CNP0003135.0 [1,1,0,0,0,0|1,0,1]=4 657 B6R0.4 CNCCC(=O)O CNP0502963.0 [1,1,0,0,0,0|1,0,1]=4 658 B6R0.4 CNCCC(C)C CNP0254439.0 [1,1,0,0,0,0|0,0,1]=3 659 B6R0.4 COCCC(C)C CNP0316382.0 [1,1,0,0,0,0|0,0,1]=3 660 B6R0.4 COCCN(C)C CNP0429553.0 [1,1,0,0,0,0|1,0,1]=4 661 B6R0.4 CSCCC(=O)C CNP0353152.0 [1,1,0,0,0,0|0,0,1]=3 662 B6R0.4 CSCCC(=O)N CNP0220146.0 [1,1,0,0,0,0|1,0,1]=4 663 B6R0.4 CSCCC(=O)O CNP0143779.0 [1,1,0,0,0,0|1,0,1]=4 664 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [1,1,0,0,0,0|0,0,1]=3 665 B6R0.4 CSCSC(=O)C CNP0232862.0 [1,1,0,0,0,0|1,0,1]=4 666 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [1,1,0,0,0,0|1,0,1]=4 667 B6R0.4 C[S@+]([O-])CCCN CNP0591601.1 [1,1,0,0,0,0|1,0,1]=4 668 B6R0.4 C[S@H+]([O-])CCCN CNP0545944.1 [1,1,0,0,0,0|1,0,1]=4 669 B6R0.4 NC(=O)CCCO CNP0573523.0 [1,1,0,0,0,0|1,0,1]=4 670 B6R0.4 NCCCC(=O)O CNP0116256.0 [1,1,0,0,0,0|1,0,1]=4 671 B6R0.4 O=C(O)CCCO CNP0236331.0 [1,1,0,0,0,0|1,0,1]=4 672 B6R0.4 O=C([O-])CCCO CNP0492590.0 [1,1,0,0,0,0|1,0,1]=4 673 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [1,1,0,0,0,0|2,0,0]=4 674 B6R0.5 CC(C)(S)CCO CNP0215542.0 [1,1,0,0,0,0|1,0,1]=4 675 B6R0.5 CCCC(C)(C)C CNP0308764.0 [1,1,0,0,0,0|0,0,1]=3 676 B6R0.5 CCCC(C)(C)O CNP0258393.0 [1,1,0,0,0,0|0,0,1]=3 677 B6R0.5 CCCC(O)(O)O CNP0084720.0 [1,1,0,0,0,0|1,0,1]=4 678 B6R0.5 CCC[N+](C)(C)C CNP0523784.0 [1,1,0,0,0,0|1,0,1]=4 679 B6R0.5 CCOC(C)(C)C CNP0285210.0 [1,1,0,0,0,0|1,0,1]=4 680 B6R0.5 CCOS(=O)(=O)C CNP0401842.0 [1,1,0,0,0,0|2,0,0]=4 681 B6R0.5 CCSC(C)(C)C CNP0186557.0 [1,1,0,0,0,0|1,0,1]=4 682 B6R0.5 CSCS(=O)(=O)C CNP0157265.0 [1,1,0,0,0,0|2,0,0]=4 683 B6R0.5 C[As](=O)(C)CCO CNP0236295.0 [1,1,0,0,0,0|2,0,0]=4 684 B6R0.5 C[S+](=O)(C)CCO CNP0428132.0 [1,1,0,0,0,0|2,0,0]=4 685 B6R0.6 C#CCCCCO CNP0289179.0 [1,1,0,0,0,0|1,0,1]=4 686 B6R0.6 C=CC=CCCC CNP0526826.0 [1,1,0,0,0,0|1,0,1]=4 687 B6R0.6 C=CCCC=CC CNP0426808.0 [1,1,0,0,0,0|1,0,1]=4 688 B6R0.6 C=CCCCC#N CNP0287374.0 [1,1,0,0,0,0|1,0,1]=4 689 B6R0.6 C=CCCCC=C CNP0115869.0 [1,1,0,0,0,0|1,0,1]=4 690 B6R0.6 C=CCCCCC CNP0226691.0 [1,1,0,0,0,0|1,0,0]=3 691 B6R0.6 C=CCCCCO CNP0162421.0 [1,1,0,0,0,0|1,0,0]=3 692 B6R0.6 C=CCOCCO CNP0248950.0 [1,1,0,0,0,0|2,0,0]=4 693 B6R0.6 C=CCSCCC CNP0150756.0 [1,1,0,0,0,0|1,0,0]=3 694 B6R0.6 C=COCCCC CNP0077236.0 [1,1,0,0,0,0|1,0,0]=3 695 B6R0.6 CC=CCCC=O CNP0056069.0 [1,1,0,0,0,0|0,0,1]=3 696 B6R0.6 CC=CCCCC CNP0158475.0 [1,1,0,0,0,0|1,0,0]=3 697 B6R0.6 CC=CCCCO CNP0309139.0 [1,1,0,0,0,0|1,0,1]=4 698 B6R0.6 CC=CCSCC CNP0575773.0 [1,1,0,0,0,0|1,0,1]=4 699 B6R0.6 CC=CSCCC CNP0320861.0 [1,1,0,0,0,0|1,0,1]=4 700 B6R0.6 CCC=C=CC=O CNP0611366.0 [1,1,0,0,0,0|0,0,2]=4 701 B6R0.6 CCC=CCC=O CNP0227189.0 [1,1,0,0,0,0|0,0,1]=3 702 B6R0.6 CCC=CCCC CNP0391454.0 [1,1,0,0,0,0|1,0,1]=4 703 B6R0.6 CCCC=CC=O CNP0263913.0 [1,1,0,0,0,0|0,0,1]=3 704 B6R0.6 CCCC=CCO CNP0254124.0 [1,1,0,0,0,0|0,0,2]=4 705 B6R0.6 CCCC=CNO CNP0162409.0 [1,1,0,0,0,0|0,0,2]=4 706 B6R0.6 CCCCC=CO CNP0511187.0 [1,1,0,0,0,0|0,0,1]=3 707 B6R0.6 CCCCC=NO CNP0149695.0 [1,1,0,0,0,0|0,0,1]=3 708 B6R0.6 CCCCCC#N CNP0412353.0 [1,1,0,0,0,0|1,0,1]=4 709 B6R0.6 CCCCCC=O CNP0304790.0 [1,1,0,0,0,0|0,0,0]=2 710 B6R0.6 CCCCCCC CNP0290800.0 [1,1,0,0,0,0|1,0,1]=4 711 B6R0.6 CCCCCCN CNP0213933.0 [1,1,0,0,0,0|1,0,1]=4 712 B6R0.6 CCCCCCO CNP0317600.0 [1,1,0,0,0,0|0,0,2]=4 713 B6R0.6 CCCCCCS CNP0167948.0 [1,1,0,0,0,0|0,1,1]=4 714 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,1,0,0,0,0|0,0,2]=4 715 B6R0.6 CCCCCNC CNP0276164.0 [1,1,0,0,0,0|1,0,1]=4 716 B6R0.6 CCCCCOC CNP0358174.0 [1,1,0,0,0,0|0,0,2]=4 717 B6R0.6 CCCCCSC CNP0293012.0 [1,1,0,0,0,0|0,1,1]=4 718 B6R0.6 CCCCCSS CNP0228282.0 [1,1,0,0,0,0|0,1,1]=4 719 B6R0.6 CCCCN=C=S CNP0328773.0 [1,1,0,0,0,0|0,1,1]=4 720 B6R0.6 CCCCNC=O CNP0082472.0 [1,1,0,0,0,0|0,0,0]=2 721 B6R0.6 CCCCOC=O CNP0282325.0 [1,1,0,0,0,0|0,0,0]=2 722 B6R0.6 CCCCON=O CNP0003508.0 [1,1,0,0,0,0|1,0,0]=3 723 B6R0.6 CCCCSSC CNP0532819.0 [1,1,0,0,0,0|1,1,0]=4 724 B6R0.6 CCCNCCC CNP0129820.0 [1,1,0,0,0,0|1,0,1]=4 725 B6R0.6 CCCOCCO CNP0079853.0 [1,1,0,0,0,0|0,0,2]=4 726 B6R0.6 CCCSCCC CNP0173387.0 [1,1,0,0,0,0|1,0,1]=4 727 B6R0.6 CCOCCCO CNP0304052.0 [1,1,0,0,0,0|0,0,2]=4 728 B6R0.6 CCOCCCS CNP0267296.0 [1,1,0,0,0,0|0,1,1]=4 729 B6R0.6 CCSCCCO CNP0355297.0 [1,1,0,0,0,0|0,0,2]=4 730 B6R0.6 CNCCCCN CNP0157274.0 [1,1,0,0,0,0|1,0,1]=4 731 B6R0.6 COCCCCO CNP0570905.0 [1,1,0,0,0,0|0,0,2]=4 732 B6R0.6 CSCCCC#N CNP0286857.0 [1,1,0,0,0,0|1,0,1]=4 733 B6R0.6 CSCCCC=O CNP0002814.0 [1,1,0,0,0,0|0,0,0]=2 734 B6R0.6 CSCCCCO CNP0002400.0 [1,1,0,0,0,0|0,0,2]=4 735 B6R0.6 CSCCCN=S CNP0092190.0 [1,1,0,0,0,0|1,1,0]=4 736 B6R0.6 NCCCCC=O CNP0083786.0 [1,1,0,0,0,0|0,0,0]=2 737 B6R0.6 NCCCCCN CNP0184259.0 [1,1,0,0,0,0|1,0,1]=4 738 B6R0.6 NCCCCCO CNP0032450.0 [1,1,0,0,0,0|0,0,2]=4 739 B6R0.6 O=CCCCC=O CNP0204417.0 [1,1,0,0,0,0|0,0,1]=3 740 B6R0.6 OCCCCCO CNP0201249.0 [1,1,0,0,0,0|0,0,2]=4 741 B6R0.6 [CH2-]CCCCC#[O+] CNP0596536.0 [1,1,0,0,0,0|0,0,2]=4 742 B6R0.8 C=CC(C)(O)CC CNP0352178.0 [1,1,0,0,0,0|1,0,0]=3 743 B6R0.8 CCC(C)(C)CC CNP0117655.0 [1,1,0,0,0,0|1,0,1]=4 744 B6R0.8 CCC(C)(C)SC CNP0141733.0 [1,1,0,0,0,0|2,0,0]=4 745 B6R0.8 CCC(C)(O)CC CNP0314635.0 [1,1,0,0,0,0|1,0,1]=4 746 B6R0.8 CCC(C)(O)CO CNP0308368.0 [1,1,0,0,0,0|0,0,2]=4 747 B6R0.8 CC[C@@](C)(O)C#N CNP0366563.1 [1,1,0,0,0,0|1,0,1]=4 748 B6R0.8 CC[C@](C)(N)C#N CNP0302888.1 [1,1,0,0,0,0|1,0,1]=4 749 B6R0.8 CSC(C)(C)C=O CNP0126812.0 [1,1,0,0,0,0|1,0,0]=3 750 B6R0.9 C=CC(OC)OC CNP0324949.0 [1,1,0,0,0,0|2,0,0]=4 751 B6R0.9 C=C[C@@H](CC)OC CNP0276971.1 [1,1,0,0,0,0|1,0,0]=3 752 B6R0.9 CC=C(C=O)CC CNP0086295.0 [1,1,0,0,0,0|0,0,1]=3 753 B6R0.9 CC=C(CC)CC CNP0246886.0 [1,1,0,0,0,0|1,0,1]=4 754 B6R0.9 CC=C(CC)CO CNP0059417.0 [1,1,0,0,0,0|1,0,1]=4 755 B6R0.9 CCC(C#N)CC CNP0152089.0 [1,1,0,0,0,0|1,0,1]=4 756 B6R0.9 CCC(C=O)CC CNP0353251.0 [1,1,0,0,0,0|0,0,0]=2 757 B6R0.9 CCC(CC)CC CNP0205695.0 [1,1,0,0,0,0|1,0,1]=4 758 B6R0.9 CCC(CC)SC CNP0410895.0 [1,1,0,0,0,0|1,0,1]=4 759 B6R0.9 CCC(OC)OC CNP0171881.0 [1,1,0,0,0,0|2,0,0]=4 760 B6R0.9 CCN(CC)N=O CNP0419123.0 [1,1,0,0,0,0|2,0,0]=4 761 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [0,2,0,0,0,0|0,0,1]=3 762 B8R0.2 C=C(CC)[C@H](N)C(=O)O CNP0145446.1 [0,2,0,0,0,0|1,0,1]=4 763 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO CNP0176641.1 [0,2,0,0,0,0|2,0,0]=4 764 B8R0.2 CC(=O)[C@H](O)[C@H](O)CO CNP0176641.2 [0,2,0,0,0,0|2,0,0]=4 765 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,2,0,0,0,0|0,0,2]=4 766 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,2,0,0,0,0|0,0,1]=3 767 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,2,0,0,0,0|0,0,1]=3 768 B8R0.2 CCC(C)[C@@H](N)C(=O)O CNP0337843.4 [0,2,0,0,0,0|1,0,0]=3 769 B8R0.2 CCC(O)C(O)C(=O)O CNP0042669.0 [0,2,0,0,0,0|1,0,0]=3 770 B8R0.2 CC[C@@H](C)C(=O)C(=O)O CNP0163555.2 [0,2,0,0,0,0|1,0,1]=4 771 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O CNP0337843.2 [0,2,0,0,0,0|1,0,0]=3 772 B8R0.2 CC[C@@H](C)[C@@H](O)C(=O)O CNP0290048.1 [0,2,0,0,0,0|1,0,0]=3 773 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O CNP0337843.3 [0,2,0,0,0,0|1,0,0]=3 774 B8R0.2 CC[C@@H](C)[C@H](O)C(=O)O CNP0290048.3 [0,2,0,0,0,0|1,0,0]=3 775 B8R0.2 CC[C@@H](N)[C@@H](C)C(=O)O CNP0281114.2 [0,2,0,0,0,0|0,0,0]=2 776 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O CNP0152762.2 [0,2,0,0,0,0|0,0,0]=2 777 B8R0.2 CC[C@H](C)C(=O)C(=O)O CNP0163555.1 [0,2,0,0,0,0|1,0,1]=4 778 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O CNP0337843.5 [0,2,0,0,0,0|1,0,0]=3 779 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O CNP0290048.4 [0,2,0,0,0,0|1,0,0]=3 780 B8R0.2 CC[C@H](C)[C@H](C)C(C)C CNP0324956.1 [0,2,0,0,0,0|1,0,1]=4 781 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O CNP0337843.1 [0,2,0,0,0,0|1,0,0]=3 782 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O CNP0290048.2 [0,2,0,0,0,0|1,0,0]=3 783 B8R0.2 CC[C@H](N)[C@@H](C)C(=O)O CNP0281114.1 [0,2,0,0,0,0|0,0,0]=2 784 B8R0.2 CC[C@H](O)[C@@H](C)C(=O)O CNP0152762.1 [0,2,0,0,0,0|0,0,0]=2 785 B8R0.2 CC[C@H](O)[C@H](N)C(=O)O CNP0172440.1 [0,2,0,0,0,0|1,0,0]=3 786 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O CNP0138461.1 [0,2,0,0,0,0|2,0,0]=4 787 B8R0.2 C[C@H](CO)[C@H](N)C(=O)O CNP0265775.1 [0,2,0,0,0,0|2,0,0]=4 788 B8R0.2 NC(=O)[C@H](O)[C@H](O)CO CNP0299919.1 [0,2,0,0,0,0|2,0,0]=4 789 B8R0.2 NC[C@@H](O)[C@H](O)C(=O)O CNP0266356.3 [0,2,0,0,0,0|2,0,0]=4 790 B8R0.2 NC[C@H](O)[C@@H](O)C(=O)O CNP0266356.2 [0,2,0,0,0,0|2,0,0]=4 791 B8R0.2 NC[C@H](O)[C@H](O)C(=O)O CNP0266356.1 [0,2,0,0,0,0|2,0,0]=4 792 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CCl CNP0343503.2 [0,2,0,0,0,0|2,0,0]=4 793 B8R0.2 N[C@@H](C(=O)O)[C@@H](O)CO CNP0267593.2 [0,2,0,0,0,0|2,0,0]=4 794 B8R0.2 N[C@@H](C(=O)O)[C@H](O)CO CNP0267593.4 [0,2,0,0,0,0|2,0,0]=4 795 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CCl CNP0343503.1 [0,2,0,0,0,0|2,0,0]=4 796 B8R0.2 N[C@H](C(=O)O)[C@@H](O)CO CNP0267593.3 [0,2,0,0,0,0|2,0,0]=4 797 B8R0.2 N[C@H](C(=O)O)[C@H](O)CCl CNP0343503.3 [0,2,0,0,0,0|2,0,0]=4 798 B8R0.2 N[C@H](C(=O)O)[C@H](O)CO CNP0267593.1 [0,2,0,0,0,0|2,0,0]=4 799 B8R0.2 O=C(O)[C@@H](O)[C@@H](O)CO CNP0144827.3 [0,2,0,0,0,0|2,0,0]=4 800 B8R0.2 O=C(O)[C@@H](O)[C@H](O)CO CNP0144827.1 [0,2,0,0,0,0|2,0,0]=4 801 B8R0.2 O=C(O)[C@H](O)[C@@H](O)CO CNP0144827.2 [0,2,0,0,0,0|2,0,0]=4 802 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO CNP0144827.4 [0,2,0,0,0,0|2,0,0]=4 803 B8R0.2 O=C([O-])[C@H](O)[C@@H](O)CO CNP0144827.5 [0,2,0,0,0,0|2,0,0]=4 804 B8R0.5 C/C=C/[C@@H](O)CC(C)C CNP0115092.2 [0,2,0,0,0,0|2,0,0]=4 805 B8R0.5 C/C=C\[C@H](O)CC(C)C CNP0115092.1 [0,2,0,0,0,0|2,0,0]=4 806 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [0,2,0,0,0,0|1,0,0]=3 807 B8R0.5 C=CC[C@@H](O)C[C@@H](C)O CNP0069442.4 [0,2,0,0,0,0|2,0,0]=4 808 B8R0.5 C=CC[C@@H](O)C[C@H](C)O CNP0069442.3 [0,2,0,0,0,0|2,0,0]=4 809 B8R0.5 C=CC[C@H](O)C[C@@H](C)O CNP0069442.1 [0,2,0,0,0,0|2,0,0]=4 810 B8R0.5 C=CC[C@H](O)C[C@H](C)O CNP0069442.2 [0,2,0,0,0,0|2,0,0]=4 811 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [0,2,0,0,0,0|1,0,1]=4 812 B8R0.5 CC(=CC=O)CC(C)C CNP0364248.0 [0,2,0,0,0,0|0,0,1]=3 813 B8R0.5 CC(C)C[C@@H](O)/C=N\O CNP0215536.1 [0,2,0,0,0,0|1,0,1]=4 814 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,2,0,0,0,0|0,0,1]=3 815 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [0,2,0,0,0,0|0,0,1]=3 816 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,2,0,0,0,0|1,0,1]=4 817 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,2,0,0,0,0|1,0,1]=4 818 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [0,2,0,0,0,0|0,0,0]=2 819 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [0,2,0,0,0,0|1,0,1]=4 820 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [0,2,0,0,0,0|0,0,2]=4 821 B8R0.5 CCCC(N)NC(=N)N CNP0547045.0 [0,2,0,0,0,0|2,0,0]=4 822 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [0,2,0,0,0,0|1,0,0]=3 823 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [0,2,0,0,0,0|0,0,0]=2 824 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,2,0,0,0,0|0,0,0]=2 825 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [0,2,0,0,0,0|1,0,0]=3 826 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [0,2,0,0,0,0|1,0,0]=3 827 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [0,2,0,0,0,0|2,0,0]=4 828 B8R0.16 CCC(CC)CC(C)C CNP0577588.0 [0,2,0,0,0,0|1,0,1]=4 829 B8R0.16 CCC(CO)CC(C)C CNP0084487.0 [0,2,0,0,0,0|0,0,2]=4 830 B8R0.16 COC(CC(C)C)OC CNP0256947.0 [0,2,0,0,0,0|2,0,0]=4 831 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [0,2,0,0,0,0|1,0,1]=4 832 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [0,2,0,0,0,0|1,0,1]=4 833 B8R0.19 CCC(C)CC(C)CO CNP0072771.0 [0,2,0,0,0,0|0,0,2]=4 834 B8R0.19 CC[C@@H](C)C[C@@H](C)CC CNP0385244.1 [0,2,0,0,0,0|1,0,1]=4 835 B8R0.19 CC[C@H](C)C[C@H](O)CC CNP0324526.1 [0,2,0,0,0,0|1,0,1]=4 836 B8R0.19 O=CC(=O)C[C@@H](O)CO CNP0343388.1 [0,2,0,0,0,0|1,0,1]=4 837 B8R0.23 CC(=CC(C)C)C(=O)O CNP0002603.0 [0,2,0,0,0,0|0,0,2]=4 838 B8R0.23 CC(=O)C(=O)CC(C)C CNP0131749.0 [0,2,0,0,0,0|1,0,1]=4 839 B8R0.23 CC(=O)C(O)CC(C)C CNP0003259.0 [0,2,0,0,0,0|1,0,0]=3 840 B8R0.23 CC(=O)CC(N)C(=O)O CNP0533011.0 [0,2,0,0,0,0|1,0,1]=4 841 B8R0.23 CC(=O)C[C@@H](O)C(=O)C CNP0180429.1 [0,2,0,0,0,0|1,0,1]=4 842 B8R0.23 CC(=O)C[C@@H](O)C(=O)O CNP0195071.1 [0,2,0,0,0,0|1,0,1]=4 843 B8R0.23 CC(=O)C[C@H](O)C(=O)O CNP0195071.2 [0,2,0,0,0,0|1,0,1]=4 844 B8R0.23 CC(=O)N[C@@H](C)C(=O)O CNP0136136.1 [0,2,0,0,0,0|1,0,1]=4 845 B8R0.23 CC(=O)OC(C)C(=O)Cl CNP0312300.0 [0,2,0,0,0,0|1,0,1]=4 846 B8R0.23 CC(=O)O[C@H](C)C(=O)C CNP0270762.1 [0,2,0,0,0,0|1,0,1]=4 847 B8R0.23 CC(=O)O[C@H](C)C(=O)O CNP0159286.1 [0,2,0,0,0,0|1,0,1]=4 848 B8R0.23 CC(=O)[C@@H](C)CC(=O)O CNP0299581.1 [0,2,0,0,0,0|1,0,1]=4 849 B8R0.23 CC(C)CC(=O)C(=O)O CNP0271985.0 [0,2,0,0,0,0|1,0,1]=4 850 B8R0.23 CC(C)C[C@@H](N)C(=O)N CNP0135603.3 [0,2,0,0,0,0|1,0,0]=3 851 B8R0.23 CC(C)C[C@@H](N)C(=O)O CNP0201141.2 [0,2,0,0,0,0|1,0,0]=3 852 B8R0.23 CC(C)C[C@@H](O)C(=O)O CNP0270190.1 [0,2,0,0,0,0|1,0,0]=3 853 B8R0.23 CC(C)C[C@H](C)C(C)C CNP0297055.1 [0,2,0,0,0,0|1,0,1]=4 854 B8R0.23 CC(C)C[C@H](N)C(=O)N CNP0135603.2 [0,2,0,0,0,0|1,0,0]=3 855 B8R0.23 CC(C)C[C@H](N)C(=O)O CNP0201141.1 [0,2,0,0,0,0|1,0,0]=3 856 B8R0.23 CC(C)C[C@H](O)C(=O)O CNP0270190.2 [0,2,0,0,0,0|1,0,0]=3 857 B8R0.23 CC(O)CC(=O)C(=O)O CNP0082912.0 [0,2,0,0,0,0|1,0,1]=4 858 B8R0.23 CN(C)C[C@H](N)C(=O)O CNP0374568.1 [0,2,0,0,0,0|2,0,0]=4 859 B8R0.23 C[C@@H](CC(=O)O)C(=O)O CNP0294195.2 [0,2,0,0,0,0|1,0,1]=4 860 B8R0.23 C[C@@H](O)C[C@@H](N)C(=O)O CNP0191849.1 [0,2,0,0,0,0|1,0,0]=3 861 B8R0.23 C[C@@H](O)C[C@H](N)C(=O)O CNP0191849.2 [0,2,0,0,0,0|1,0,0]=3 862 B8R0.23 C[C@H](CC(=O)O)C(=O)O CNP0294195.1 [0,2,0,0,0,0|1,0,1]=4 863 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O CNP0194801.1 [0,2,0,0,0,0|1,0,0]=3 864 B8R0.23 C[C@H](N)C[C@@H](N)C(=O)O CNP0252327.1 [0,2,0,0,0,0|1,0,0]=3 865 B8R0.23 C[C@H](O)C[C@H](N)C(=O)O CNP0191849.3 [0,2,0,0,0,0|1,0,0]=3 866 B8R0.23 C[S+]([O-])C[C@@H](N)C(=O)O CNP0580567.3 [0,2,0,0,0,0|2,0,0]=4 867 B8R0.23 C[S+]([O-])C[C@H](N)C(=O)O CNP0580567.2 [0,2,0,0,0,0|2,0,0]=4 868 B8R0.23 C[S@+]([O-])C[C@@H](N)C(=O)O CNP0580567.4 [0,2,0,0,0,0|2,0,0]=4 869 B8R0.23 C[S@+]([O-])C[C@H](N)C(=O)O CNP0580567.1 [0,2,0,0,0,0|2,0,0]=4 870 B8R0.23 C[S@H+]([O-])C[C@@H](N)C(=O)O CNP0585919.2 [0,2,0,0,0,0|2,0,0]=4 871 B8R0.23 C[S@H+]([O-])C[C@H](N)C(=O)O CNP0585919.1 [0,2,0,0,0,0|2,0,0]=4 872 B8R0.23 C[SeH](=O)C[C@H](N)C(=O)O CNP0480445.1 [0,2,0,0,0,0|2,0,0]=4 873 B8R0.23 C[Se](=O)C[C@H](N)C(=O)O CNP0218473.1 [0,2,0,0,0,0|2,0,0]=4 874 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O CNP0220364.1 [0,2,0,0,0,0|2,0,0]=4 875 B8R0.24 CC=C(C)CC(C)(C)C CNP0003427.0 [0,2,0,0,0,0|1,0,1]=4 876 B8R0.24 CC[C@H](C)CC(C)(C)O CNP0378790.1 [0,2,0,0,0,0|1,0,1]=4 877 B8R0.34 C[C@H](O)C[C@](C)(O)CO CNP0530490.1 [0,2,0,0,0,0|0,0,2]=4 878 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [0,2,0,0,0,0|2,0,0]=4 879 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [0,2,0,0,0,0|2,0,0]=4 880 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [0,2,0,0,0,0|2,0,0]=4 881 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [0,2,0,0,0,0|2,0,0]=4 882 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,2,0,0,0,0|1,0,1]=4 883 B8R0.1 CCCOC(C)OCC CNP0154058.0 [0,2,0,0,0,0|1,0,1]=4 884 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,2,0,0,0,0|0,0,2]=4 885 B8R0.1 NCCCC(N)CC=O CNP0515515.0 [0,2,0,0,0,0|1,0,0]=3 886 B8R0.3 C=CCC(C)C(=O)CC CNP0611593.0 [0,2,0,0,0,0|0,0,2]=4 887 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,2,0,0,0,0|0,0,2]=4 888 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,2,0,0,0,0|1,0,1]=4 889 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,2,0,0,0,0|1,0,1]=4 890 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,2,0,0,0,0|0,0,0]=2 891 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [0,2,0,0,0,0|0,0,2]=4 892 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [0,2,0,0,0,0|1,0,1]=4 893 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,2,0,0,0,0|0,0,0]=2 894 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [0,2,0,0,0,0|0,0,0]=2 895 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [0,2,0,0,0,0|1,0,1]=4 896 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [0,2,0,0,0,0|0,0,2]=4 897 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [0,2,0,0,0,0|1,0,1]=4 898 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [0,2,0,0,0,0|0,0,2]=4 899 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,2,0,0,0,0|0,0,1]=3 900 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [0,2,0,0,0,0|1,0,0]=3 901 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [0,2,0,0,0,0|2,0,0]=4 902 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [0,2,0,0,0,0|2,0,0]=4 903 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO CNP0204667.2 [0,2,0,0,0,0|2,0,0]=4 904 B8R0.3 O=CC[C@H](O)[C@H](O)CO CNP0204667.1 [0,2,0,0,0,0|2,0,0]=4 905 B8R0.6 C=CC(O)CCC=CC CNP0288913.0 [0,2,0,0,0,0|2,0,0]=4 906 B8R0.6 C=CCCC[C@H](O)C=C CNP0223839.1 [0,2,0,0,0,0|2,0,0]=4 907 B8R0.6 C=C[C@@H](O)/C=C/CCC CNP0182495.1 [0,2,0,0,0,0|2,0,0]=4 908 B8R0.6 C=C[C@@H](O)C/C=C/CC CNP0227768.1 [0,2,0,0,0,0|2,0,0]=4 909 B8R0.6 C=C[C@@H](O)C/C=C\CC CNP0227768.2 [0,2,0,0,0,0|2,0,0]=4 910 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [0,2,0,0,0,0|2,0,0]=4 911 B8R0.6 C=C[C@H](O)C/C=C/CC CNP0227768.4 [0,2,0,0,0,0|2,0,0]=4 912 B8R0.6 C=C[C@H](O)C/C=C\CC CNP0227768.3 [0,2,0,0,0,0|2,0,0]=4 913 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [0,2,0,0,0,0|2,0,0]=4 914 B8R0.6 CCC(C)OCCCO CNP0593328.0 [0,2,0,0,0,0|1,0,1]=4 915 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,2,0,0,0,0|0,0,1]=3 916 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,2,0,0,0,0|1,0,1]=4 917 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,2,0,0,0,0|2,0,0]=4 918 B8R0.6 CCCSSC(C)CC CNP0570615.0 [0,2,0,0,0,0|1,0,1]=4 919 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,2,0,0,0,0|1,0,1]=4 920 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,2,0,0,0,0|1,0,1]=4 921 B8R0.6 COC(C)COCCCl CNP0537294.0 [0,2,0,0,0,0|2,0,0]=4 922 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [0,2,0,0,0,0|1,0,0]=3 923 B8R0.8 C#CCCC(N)C(=O)O CNP0221316.0 [0,2,0,0,0,0|1,0,1]=4 924 B8R0.8 C#CCC[C@H](N)C(=O)O CNP0221316.1 [0,2,0,0,0,0|1,0,1]=4 925 B8R0.8 C/C=C/C[C@H](N)C(=O)O CNP0134361.1 [0,2,0,0,0,0|1,0,1]=4 926 B8R0.8 C/C=C\C[C@@H](C)C(=O)C CNP0260955.1 [0,2,0,0,0,0|0,0,1]=3 927 B8R0.8 C/C=C\C[C@H](N)C(=O)O CNP0134361.2 [0,2,0,0,0,0|1,0,1]=4 928 B8R0.8 CC#CC[C@H](N)C(=O)O CNP0236136.1 [0,2,0,0,0,0|1,0,1]=4 929 B8R0.8 CC(=O)N(O)CCCN CNP0598516.0 [0,2,0,0,0,0|2,0,0]=4 930 B8R0.8 CC(=O)[C@@H](C)CCC#N CNP0043042.1 [0,2,0,0,0,0|0,0,1]=3 931 B8R0.8 CC(=O)[C@H](C)CCC#N CNP0043042.2 [0,2,0,0,0,0|0,0,1]=3 932 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [0,2,0,0,0,0|0,0,1]=3 933 B8R0.8 CCCC=C(C)C(=O)O CNP0589734.0 [0,2,0,0,0,0|0,0,1]=3 934 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [0,2,0,0,0,0|1,0,1]=4 935 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [0,2,0,0,0,0|1,0,1]=4 936 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [0,2,0,0,0,0|0,0,2]=4 937 B8R0.8 CCCC[C@@H](C)C(=O)O CNP0131779.1 [0,2,0,0,0,0|0,0,0]=2 938 B8R0.8 CCCC[C@@H](N)C(=O)O CNP0177876.2 [0,2,0,0,0,0|1,0,0]=3 939 B8R0.8 CCCC[C@H](Br)C(=O)Br CNP0017823.1 [0,2,0,0,0,0|1,0,0]=3 940 B8R0.8 CCCC[C@H](Br)C(=O)O CNP0017777.1 [0,2,0,0,0,0|1,0,0]=3 941 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [0,2,0,0,0,0|1,0,1]=4 942 B8R0.8 CCCC[C@H](N)C(=O)O CNP0177876.1 [0,2,0,0,0,0|1,0,0]=3 943 B8R0.8 CCCC[C@H](O)C(=O)O CNP0296365.1 [0,2,0,0,0,0|1,0,0]=3 944 B8R0.8 CCSC[C@H](N)C(=O)O CNP0566350.1 [0,2,0,0,0,0|1,0,0]=3 945 B8R0.8 CN(CCC#N)C(=O)N CNP0085962.0 [0,2,0,0,0,0|1,0,1]=4 946 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [0,2,0,0,0,0|1,0,1]=4 947 B8R0.8 CSCCC(=O)C(=O)O CNP0135111.0 [0,2,0,0,0,0|1,0,1]=4 948 B8R0.8 CSCCC(O)C(=O)O CNP0398053.0 [0,2,0,0,0,0|1,0,0]=3 949 B8R0.8 CSCC[C@@H](N)C(=O)O CNP0217457.2 [0,2,0,0,0,0|1,0,0]=3 950 B8R0.8 CSCC[C@H](N)C(=O)O CNP0217457.1 [0,2,0,0,0,0|1,0,0]=3 951 B8R0.8 CSCC[C@H](N)P(=O)O CNP0484604.1 [0,2,0,0,0,0|2,0,0]=4 952 B8R0.8 CSSC[C@@H](N)C(=O)O CNP0315885.2 [0,2,0,0,0,0|2,0,0]=4 953 B8R0.8 CSSC[C@H](N)C(=O)O CNP0315885.1 [0,2,0,0,0,0|2,0,0]=4 954 B8R0.8 C[C@@H](CCCN)C(=O)O CNP0300742.1 [0,2,0,0,0,0|0,0,0]=2 955 B8R0.8 C[C@H](NCCO)C(=O)O CNP0270315.1 [0,2,0,0,0,0|1,0,0]=3 956 B8R0.8 C[Hg]SC[C@@H](N)C(=O)O CNP0479304.1 [0,2,0,0,0,0|2,0,0]=4 957 B8R0.8 C[Se]CC[C@H](N)C(=O)O CNP0196017.1 [0,2,0,0,0,0|1,0,0]=3 958 B8R0.8 N#CCC[C@H](N)C(=O)O CNP0290395.1 [0,2,0,0,0,0|1,0,1]=4 959 B8R0.8 NCCCC(=O)C(=O)O CNP0082812.0 [0,2,0,0,0,0|1,0,1]=4 960 B8R0.8 NCCC[C@@H](N)C(=O)O CNP0102727.2 [0,2,0,0,0,0|1,0,0]=3 961 B8R0.8 NCCC[C@@H](O)C(=O)O CNP0154820.1 [0,2,0,0,0,0|1,0,0]=3 962 B8R0.8 NCCC[C@H](N)C(=O)O CNP0102727.1 [0,2,0,0,0,0|1,0,0]=3 963 B8R0.8 NOCC[C@@H](N)C(=O)O CNP0325208.1 [0,2,0,0,0,0|2,0,0]=4 964 B8R0.8 NOCC[C@H](N)C(=O)O CNP0325208.2 [0,2,0,0,0,0|2,0,0]=4 965 B8R0.8 N[C@@H](CCC=O)C(=O)O CNP0085564.1 [0,2,0,0,0,0|1,0,1]=4 966 B8R0.8 N[C@@H](CCCO)C(=O)O CNP0218644.1 [0,2,0,0,0,0|1,0,0]=3 967 B8R0.8 N[C@H](CCCO)C(=O)O CNP0218644.2 [0,2,0,0,0,0|1,0,0]=3 968 B8R0.9 C=CC(C)CCC(=C)C CNP0517819.0 [0,2,0,0,0,0|1,0,0]=3 969 B8R0.9 C=CC(C)CCC(=O)C CNP0480823.0 [0,2,0,0,0,0|1,0,0]=3 970 B8R0.9 CC=C(C)CCC(=O)C CNP0152365.0 [0,2,0,0,0,0|1,0,1]=4 971 B8R0.9 CCC(C)CCC(=O)C CNP0351126.0 [0,2,0,0,0,0|1,0,1]=4 972 B8R0.9 CCC(C)CCC(C)C CNP0495437.0 [0,2,0,0,0,0|1,0,1]=4 973 B8R0.9 CCC(C)CCC(C)O CNP0076364.0 [0,2,0,0,0,0|1,0,1]=4 974 B8R0.9 N[C@H](C=O)CCC(=O)O CNP0108280.1 [0,2,0,0,0,0|1,0,1]=4 975 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [0,2,0,0,0,0|0,0,2]=4 976 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [0,2,0,0,0,0|0,0,2]=4 977 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [0,2,0,0,0,0|0,0,1]=3 978 B8R0.11 CCC(CO)CCNC CNP0141963.0 [0,2,0,0,0,0|0,0,2]=4 979 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [0,2,0,0,0,0|0,0,1]=3 980 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [0,2,0,0,0,0|0,0,2]=4 981 B8R0.11 CCCCC(C#N)CC CNP0320683.0 [0,2,0,0,0,0|1,0,1]=4 982 B8R0.11 CCCCC(CC)CS CNP0002408.0 [0,2,0,0,0,0|0,1,1]=4 983 B8R0.11 CCCCC(OC)OC CNP0417281.0 [0,2,0,0,0,0|2,0,0]=4 984 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [0,2,0,0,0,0|0,0,0]=2 985 B8R0.11 CCCC[C@@H](CC)CO CNP0079888.1 [0,2,0,0,0,0|0,0,2]=4 986 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [0,2,0,0,0,0|0,0,0]=2 987 B8R0.11 CCCC[C@H](CC)CO CNP0079888.2 [0,2,0,0,0,0|0,0,2]=4 988 B8R0.25 CCCCC(C)(C)C=O CNP0548345.0 [0,2,0,0,0,0|0,0,0]=2 989 B8R0.12 C=CCC(C)(N)C(=O)O CNP0555901.0 [0,2,0,0,0,0|0,0,2]=4 990 B8R0.12 CCCC(C)(C)C(=O)O CNP0611680.0 [0,2,0,0,0,0|0,0,0]=2 991 B8R0.12 CCC[C@@](C)(N)C(=O)O CNP0501927.2 [0,2,0,0,0,0|0,0,0]=2 992 B8R0.12 CCC[C@](C)(N)C(=O)O CNP0501927.1 [0,2,0,0,0,0|0,0,0]=2 993 B8R0.12 CCNC(C)(C)C(=O)O CNP0575381.0 [0,2,0,0,0,0|1,0,0]=3 994 B8R0.12 CCOC(C)(C)C(=O)O CNP0379158.0 [0,2,0,0,0,0|1,0,0]=3 995 B8R0.12 CNCC(C)(C)C(=O)C CNP0433251.0 [0,2,0,0,0,0|1,0,0]=3 996 B8R0.12 COC[C@@](C)(N)C(=O)O CNP0546199.2 [0,2,0,0,0,0|1,0,0]=3 997 B8R0.12 COC[C@](C)(N)C(=O)O CNP0546199.1 [0,2,0,0,0,0|1,0,0]=3 998 B8R0.12 O=C(O)C(O)(O)CCO CNP0527367.0 [0,2,0,0,0,0|2,0,0]=4 999 B8R0.15 C=CC[C@@H](NC)C(=O)O CNP0302571.1 [0,2,0,0,0,0|0,0,2]=4 1000 B8R0.15 CC=CC(CC)C(=O)O CNP0529295.0 [0,2,0,0,0,0|0,0,2]=4 1001 B8R0.15 CCCC(=NO)C(=O)C CNP0175867.0 [0,2,0,0,0,0|1,0,1]=4 1002 B8R0.15 CCCC(CC)C(C)C CNP0495520.0 [0,2,0,0,0,0|1,0,1]=4 1003 B8R0.15 CCC[C@@H](NC)C(=O)O CNP0223664.1 [0,2,0,0,0,0|0,0,0]=2 1004 B8R0.15 CCNC(C=O)C(C)C CNP0584260.0 [0,2,0,0,0,0|1,0,0]=3 1005 B8R0.15 CN[C@@H](COC)C(=O)O CNP0173181.1 [0,2,0,0,0,0|1,0,0]=3 1006 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [0,2,0,0,0,0|0,0,1]=3 1007 B8R0.22 CCCC(CC=O)SC CNP0110660.0 [0,2,0,0,0,0|0,0,0]=2 1008 B8R0.22 CCCC(CO)CCC CNP0538708.0 [0,2,0,0,0,0|0,0,2]=4 1009 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [0,2,0,0,0,0|1,0,0]=3 1010 B8R0.22 CCC[C@@H](CCO)SC CNP0238313.1 [0,2,0,0,0,0|0,0,2]=4 1011 B8R0.13 CC=C(C)C(C)(C)CC CNP0314170.0 [0,2,0,0,0,0|1,0,1]=4 1012 B8R0.20 CCC(CC)[C@@H](C)CC CNP0193846.1 [0,2,0,0,0,0|1,0,1]=4 1013 B8R0.31 CCCC(C)(CC)CC CNP0251441.0 [0,2,0,0,0,0|1,0,1]=4 1014 B8R0.31 CCCC(C)(CC)OC CNP0082474.0 [0,2,0,0,0,0|1,0,1]=4 1015 B6R1.2 C=C1CCCC1 CNP0338602.0 [1,0,0,1,0,0|0,0,1]=3 1016 B6R1.2 CC1=CCCC1 CNP0610106.0 [1,0,0,1,0,0|0,0,1]=3 1017 B6R1.2 CC1=CCCS1 CNP0003101.0 [1,0,0,1,0,0|1,0,1]=4 1018 B6R1.2 CC1=CCOC1 CNP0516552.0 [1,0,0,1,0,0|1,0,1]=4 1019 B6R1.2 CC1=COCC1 CNP0002470.0 [1,0,0,1,0,0|1,0,1]=4 1020 B6R1.2 CC1C=COC1 CNP0165220.0 [1,0,0,1,0,0|1,0,1]=4 1021 B6R1.2 CC1CCCC1 CNP0194612.0 [1,0,0,1,0,0|0,0,1]=3 1022 B6R1.2 CC1CCCO1 CNP0502439.0 [1,0,0,1,0,0|0,0,1]=3 1023 B6R1.2 CC1OCCO1 CNP0611683.0 [1,0,0,1,0,0|1,0,1]=4 1024 B6R1.2 CC1SCCS1 CNP0002932.0 [1,0,0,1,0,0|1,1,0]=4 1025 B6R1.2 CN1CCCC1 CNP0395436.0 [1,0,0,1,0,0|1,0,1]=4 1026 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [1,0,0,1,0,0|1,0,1]=4 1027 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [1,0,0,1,0,0|1,0,0]=3 1028 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [1,0,0,1,0,0|1,0,1]=4 1029 B6R1.2 C[C@H]1NCCS1 CNP0150573.1 [1,0,0,1,0,0|1,1,0]=4 1030 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [1,0,0,1,0,0|1,0,0]=3 1031 B6R1.2 NN1CCCC1 CNP0577233.0 [1,0,0,1,0,0|2,0,0]=4 1032 B6R1.2 O=C1CCCC1 CNP0287963.0 [1,0,0,1,0,0|0,0,1]=3 1033 B6R1.2 O=C1CCCN1 CNP0127855.0 [1,0,0,1,0,0|1,0,1]=4 1034 B6R1.2 O=C1CCCO1 CNP0315299.0 [1,0,0,1,0,0|1,0,1]=4 1035 B6R1.2 O=C1CCCS1 CNP0084584.0 [1,0,0,1,0,0|1,0,1]=4 1036 B6R1.2 O=C1CCOC1 CNP0051503.0 [1,0,0,1,0,0|1,0,1]=4 1037 B6R1.2 O=C1CCSC1 CNP0003522.0 [1,0,0,1,0,0|1,0,1]=4 1038 B6R1.2 OC1CCCC1 CNP0085994.0 [1,0,0,1,0,0|0,0,1]=3 1039 B6R1.2 SC1CCCC1 CNP0280825.0 [1,0,0,1,0,0|0,1,0]=3 1040 B6R1.2 SC1CCCS1 CNP0002503.0 [1,0,0,1,0,0|1,1,0]=4 1041 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [1,0,0,1,0,0|2,0,0]=4 1042 B6R1.3 CCCC1CC1 CNP0506060.0 [1,0,0,1,0,0|0,0,1]=3 1043 B6R1.5 C[C@H]1CC(=O)O1 CNP0232064.1 [1,0,0,1,0,0|1,0,1]=4 1044 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [1,0,0,1,0,0|0,0,1]=3 1045 B6R1.8 O=C1CC1CO CNP0073765.0 [1,0,0,1,0,0|1,0,1]=4 1046 B6R1.9 CC1CC1(C)C CNP0507743.0 [1,0,0,1,0,0|0,0,1]=3 1047 B6R1.10 CC1(CCO1)C CNP0252865.0 [1,0,0,1,0,0|1,0,1]=4 1048 B6R1.10 CC1(CCS1)C CNP0181332.0 [1,0,0,1,0,0|1,0,1]=4 1049 B6R1.1 C1=CCCCC1 CNP0275665.0 [1,0,0,1,0,0|1,0,0]=3 1050 B6R1.1 C1=CCNCC1 CNP0086452.0 [1,0,0,1,0,0|2,0,0]=4 1051 B6R1.1 C1=CNCCC1 CNP0200592.0 [1,0,0,1,0,0|1,0,1]=4 1052 B6R1.1 C1=COCCC1 CNP0583467.0 [1,0,0,1,0,0|0,0,2]=4 1053 B6R1.1 C1=NCCCC1 CNP0139263.0 [1,0,0,1,0,0|1,0,0]=3 1054 B6R1.1 C1CCCCC1 CNP0220772.0 [1,0,0,1,0,0|1,0,1]=4 1055 B6R1.1 C1CCNCC1 CNP0153358.0 [1,0,0,1,0,0|1,0,1]=4 1056 B6R1.1 C1CCOCC1 CNP0484551.0 [1,0,0,1,0,0|0,0,2]=4 1057 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [1,0,0,1,0,0|1,0,1]=4 1058 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [1,0,0,1,0,0|0,0,0]=2 1059 B6R1.6 OCC1C=CC1 CNP0202846.0 [1,0,0,1,0,0|2,0,0]=4 1060 B8R1.1 C=CC1OCC(O1)C CNP0506868.0 [0,1,0,1,0,0|2,0,0]=4 1061 B8R1.1 CCC1CCC(O1)C CNP0586635.0 [0,1,0,1,0,0|1,0,1]=4 1062 B8R1.1 CCC1N=CC(S1)C CNP0612180.0 [0,1,0,1,0,0|1,0,0]=3 1063 B8R1.1 CCC1SCC(S1)C CNP0611981.0 [0,1,0,1,0,0|0,1,1]=4 1064 B8R1.1 CC[C@@H]1CC[C@@H](C1)C CNP0136815.1 [0,1,0,1,0,0|1,0,1]=4 1065 B8R1.1 CC[C@@H]1CC[C@H](C1)C CNP0136815.2 [0,1,0,1,0,0|1,0,1]=4 1066 B8R1.1 CC[C@@H]1SS[C@@H](S1)C CNP0113400.1 [0,1,0,1,0,0|1,1,0]=4 1067 B8R1.1 O=CC1CC(CN1)O CNP0566799.0 [0,1,0,1,0,0|1,0,0]=3 1068 B8R1.1 O=C[C@@H]1CCC(=N1)O CNP0538916.1 [0,1,0,1,0,0|1,0,1]=4 1069 B8R1.1 OC[C@H]1CC[C@@H](C1)O CNP0523551.1 [0,1,0,1,0,0|0,0,2]=4 1070 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,1,0,1,0,0|0,0,1]=3 1071 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,1,0,1,0,0|1,0,1]=4 1072 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,1,0,1,0,0|1,0,1]=4 1073 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,1,0,1,0,0|1,0,0]=3 1074 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,1,0,1,0,0|0,0,2]=4 1075 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,1,0,1,0,0|1,0,1]=4 1076 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,1,0,1,0,0|1,0,1]=4 1077 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,1,0,1,0,0|0,0,2]=4 1078 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,1,0,1,0,0|0,0,2]=4 1079 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,1,0,1,0,0|1,0,0]=3 1080 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,1,0,1,0,0|0,0,2]=4 1081 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,1,0,1,0,0|0,0,0]=2 1082 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,1,0,1,0,0|0,0,0]=2 1083 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [0,1,0,1,0,0|1,0,1]=4 1084 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,1,0,1,0,0|0,0,2]=4 1085 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [0,1,0,1,0,0|1,0,1]=4 1086 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [0,1,0,1,0,0|1,0,1]=4 1087 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,1,0,1,0,0|0,0,2]=4 1088 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [0,1,0,1,0,0|1,0,1]=4 1089 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,1,0,1,0,0|0,0,2]=4 1090 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,1,0,1,0,0|0,0,0]=2 1091 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,1,0,1,0,0|0,0,0]=2 1092 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,1,0,1,0,0|0,0,2]=4 1093 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,1,0,1,0,0|0,0,2]=4 1094 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,1,0,1,0,0|1,1,0]=4 1095 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,1,0,1,0,0|1,0,1]=4 1096 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,1,0,1,0,0|1,0,1]=4 1097 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,1,0,0|0,0,2]=4 1098 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,1,0,0|0,0,2]=4 1099 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [0,1,0,1,0,0|2,0,0]=4 1100 B8R1.18 CC1=N[C@H](S[C@@H]1C)C CNP0218236.1 [0,1,0,1,0,0|2,0,0]=4 1101 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,1,0,1,0,0|1,0,1]=4 1102 B8R1.18 CC1CC(C(=O)O1)N CNP0391379.0 [0,1,0,1,0,0|1,0,0]=3 1103 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [0,1,0,1,0,0|1,0,0]=3 1104 B8R1.18 CC1C[C@H]([C@@H](C1)C)C CNP0321029.2 [0,1,0,1,0,0|1,0,1]=4 1105 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [0,1,0,1,0,0|0,0,0]=2 1106 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [0,1,0,1,0,0|1,0,0]=3 1107 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C CNP0321029.1 [0,1,0,1,0,0|1,0,1]=4 1108 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,1,0,1,0,0|1,0,1]=4 1109 B8R1.40 C[C@H](C=O)CC1CC1 CNP0511698.1 [0,1,0,1,0,0|0,0,0]=2 1110 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [0,1,0,1,0,0|1,0,0]=3 1111 B8R1.51 CC1CCC(C1)(C)O CNP0582682.0 [0,1,0,1,0,0|1,0,1]=4 1112 B8R1.51 C[C@H]1CCC(C1)(C)C CNP0133145.1 [0,1,0,1,0,0|1,0,1]=4 1113 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [0,1,0,1,0,0|1,0,0]=3 1114 B8R1.2 C=CC1=CCCCC1 CNP0552641.0 [0,1,0,1,0,0|1,0,1]=4 1115 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [0,1,0,1,0,0|1,0,1]=4 1116 B8R1.2 CCC1CCCCC1 CNP0300322.0 [0,1,0,1,0,0|1,0,1]=4 1117 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [0,1,0,1,0,0|1,0,1]=4 1118 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [0,1,0,1,0,0|1,0,0]=3 1119 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [0,1,0,1,0,0|1,0,1]=4 1120 B8R1.2 CNC1CCCCC1 CNP0474937.0 [0,1,0,1,0,0|1,0,1]=4 1121 B8R1.2 COC1=CCCCC1 CNP0354574.0 [0,1,0,1,0,0|1,0,1]=4 1122 B8R1.2 NCC1CCCCC1 CNP0581484.0 [0,1,0,1,0,0|1,0,1]=4 1123 B8R1.2 NCC1CCOCC1 CNP0398955.0 [0,1,0,1,0,0|1,0,1]=4 1124 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [0,1,0,1,0,0|0,0,1]=3 1125 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [0,1,0,1,0,0|0,0,1]=3 1126 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [0,1,0,1,0,0|0,0,0]=2 1127 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [0,1,0,1,0,0|1,0,0]=3 1128 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [0,1,0,1,0,0|1,0,0]=3 1129 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [0,1,0,1,0,0|2,0,0]=4 1130 B8R1.2 O=NN1CCOCC1 CNP0158830.0 [0,1,0,1,0,0|2,0,0]=4 1131 B8R1.2 OCC1=CCCCC1 CNP0075365.0 [0,1,0,1,0,0|1,0,1]=4 1132 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [0,1,0,1,0,0|1,0,0]=3 1133 B8R1.2 OCC1CCCCN1 CNP0335046.0 [0,1,0,1,0,0|0,0,2]=4 1134 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [0,1,0,1,0,0|0,0,2]=4 1135 B8R1.2 OC[C@H]1CCCCO1 CNP0281977.1 [0,1,0,1,0,0|0,0,2]=4 1136 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [0,1,0,1,0,0|0,0,2]=4 1137 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [0,1,0,1,0,0|2,0,0]=4 1138 B8R1.3 CC1CCN(CC1)C CNP0529817.0 [0,1,0,1,0,0|1,0,1]=4 1139 B8R1.3 C[C@@H]1CC[C@H](SC1)C CNP0511426.1 [0,1,0,1,0,0|0,1,1]=4 1140 B8R1.3 C[C@H]1CC[C@@H](CC1)C CNP0167737.2 [0,1,0,1,0,0|1,0,1]=4 1141 B8R1.3 C[C@H]1CC[C@@H](CC1)O CNP0179489.1 [0,1,0,1,0,0|1,0,1]=4 1142 B8R1.3 C[C@H]1CC[C@H](CC1)C CNP0167737.1 [0,1,0,1,0,0|1,0,1]=4 1143 B8R1.5 C=C1CCCCC1C CNP0595985.0 [0,1,0,1,0,0|1,0,0]=3 1144 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,1,0,1,0,0|1,0,1]=4 1145 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [0,1,0,1,0,0|1,0,0]=3 1146 B8R1.5 CC1CCCCC1=O CNP0003363.0 [0,1,0,1,0,0|0,0,0]=2 1147 B8R1.5 CC1CCCCC1O CNP0610101.0 [0,1,0,1,0,0|0,0,2]=4 1148 B8R1.5 CC1CCCOC1=O CNP0340524.0 [0,1,0,1,0,0|0,0,0]=2 1149 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [0,1,0,1,0,0|1,0,1]=4 1150 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [0,1,0,1,0,0|1,0,1]=4 1151 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [0,1,0,1,0,0|1,0,0]=3 1152 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,1,0,1,0,0|1,0,1]=4 1153 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,1,0,1,0,0|1,0,1]=4 1154 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [0,1,0,1,0,0|1,0,1]=4 1155 B8R1.5 O=C1CCCCC1O CNP0610127.0 [0,1,0,1,0,0|1,0,0]=3 1156 B8R1.10 CCCCC1CCC1 CNP0281769.0 [0,1,0,1,0,0|1,0,1]=4 1157 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,1,0,1,0,0|1,0,1]=4 1158 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,1,0,1,0,0|0,0,2]=4 1159 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [0,1,0,1,0,0|1,0,0]=3 1160 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,1,0,0|0,0,1]=3 1161 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,1,0,0|0,0,1]=3 1162 B8R1.50 CC1C(=O)CCC1=O CNP0193836.0 [0,1,0,1,0,0|0,0,1]=3 1163 B8R1.50 CC1CCC(C1=O)C CNP0569003.0 [0,1,0,1,0,0|0,0,0]=2 1164 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [0,1,0,1,0,0|1,0,0]=3 1165 B8R1.50 CC1[C@@H](CC[C@H]1C)C CNP0152607.1 [0,1,0,1,0,0|1,0,1]=4 1166 B8R1.50 CN1CC[C@H](C1=O)O CNP0148419.1 [0,1,0,1,0,0|1,0,0]=3 1167 B8R1.50 C[C@@H]1C(=O)OC[C@@H]1O CNP0400627.1 [0,1,0,1,0,0|1,0,0]=3 1168 B8R1.50 C[C@@H]1C(=O)OC[C@H]1O CNP0400627.2 [0,1,0,1,0,0|1,0,0]=3 1169 B8R1.50 C[C@@H]1COC(=O)[C@@H]1O CNP0158436.1 [0,1,0,1,0,0|2,0,0]=4 1170 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [0,1,0,1,0,0|1,0,0]=3 1171 B8R1.50 C[C@@H]1[C@@H](CC[C@@H]1C)C CNP0152607.3 [0,1,0,1,0,0|1,0,1]=4 1172 B8R1.50 C[C@H]1C(=O)OC[C@@H]1O CNP0400627.3 [0,1,0,1,0,0|1,0,0]=3 1173 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [0,1,0,1,0,0|0,0,2]=4 1174 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [0,1,0,1,0,0|0,0,1]=3 1175 B8R1.50 C[C@H]1CC[C@H]([C@@H]1O)O CNP0330167.1 [0,1,0,1,0,0|0,0,2]=4 1176 B8R1.50 C[C@H]1[C@@H](CC[C@@H]1C)C CNP0152607.2 [0,1,0,1,0,0|1,0,1]=4 1177 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O CNP0228474.4 [0,1,0,1,0,0|2,0,0]=4 1178 B8R1.50 O=C1OC[C@@H]([C@H]1O)O CNP0228474.2 [0,1,0,1,0,0|2,0,0]=4 1179 B8R1.50 O=C1OC[C@H]([C@@H]1O)O CNP0228474.1 [0,1,0,1,0,0|2,0,0]=4 1180 B8R1.50 O=C1OC[C@H]([C@H]1O)O CNP0228474.3 [0,1,0,1,0,0|2,0,0]=4 1181 B8R1.52 CC1(CC=CO1)C=O CNP0595974.0 [0,1,0,1,0,0|0,0,2]=4 1182 B8R1.52 CCC1(CCCC1)C CNP0310915.0 [0,1,0,1,0,0|1,0,1]=4 1183 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [0,1,0,1,0,0|1,0,1]=4 1184 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [0,1,0,1,0,0|1,0,0]=3 1185 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [0,1,0,1,0,0|2,0,0]=4 1186 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [0,1,0,1,0,0|1,0,1]=4 1187 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [0,1,0,1,0,0|0,0,2]=4 1188 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [0,1,0,1,0,0|1,0,0]=3 1189 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [0,1,0,1,0,0|1,0,0]=3 1190 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [0,1,0,1,0,0|1,0,1]=4 1191 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [0,1,0,1,0,0|0,0,0]=2 1192 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [0,1,0,1,0,0|1,0,0]=3 1193 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [0,1,0,1,0,0|2,0,0]=4 1194 B8R1.7 O=C(O)C1CSSC1 CNP0289414.0 [0,1,0,1,0,0|2,0,0]=4 1195 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [0,1,0,1,0,0|0,0,2]=4 1196 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [0,1,0,1,0,0|1,0,1]=4 1197 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [0,1,0,1,0,0|1,0,0]=3 1198 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [0,1,0,1,0,0|1,0,0]=3 1199 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [0,1,0,1,0,0|2,0,0]=4 1200 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [0,1,0,1,0,0|2,0,0]=4 1201 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [0,1,0,1,0,0|1,0,0]=3 1202 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [0,1,0,1,0,0|1,0,0]=3 1203 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [0,1,0,1,0,0|1,0,0]=3 1204 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [0,1,0,1,0,0|2,0,0]=4 1205 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [0,1,0,1,0,0|2,0,0]=4 1206 B8R1.7 O=C([O-])[C@H]1CSCN1 CNP0229322.1 [0,1,0,1,0,0|2,0,0]=4 1207 B8R1.7 S=C(S)N1CCCC1 CNP0337104.0 [0,1,0,1,0,0|1,1,0]=4 1208 B8R1.19 CC1(CCCC1=O)C CNP0560087.0 [0,1,0,1,0,0|0,0,0]=2 1209 B8R1.19 CC1(CCC[C@@H]1O)C CNP0549501.1 [0,1,0,1,0,0|0,0,2]=4 1210 B8R1.19 CC1(CCC[C@H]1O)C CNP0549501.2 [0,1,0,1,0,0|0,0,2]=4 1211 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [0,1,0,1,0,0|1,0,0]=3 1212 B8R1.19 C[C@@]1(OCCC1=O)O CNP0160113.1 [0,1,0,1,0,0|1,0,0]=3 1213 B8R1.19 C[C@H]1CCCC1(C)C CNP0142130.1 [0,1,0,1,0,0|1,0,1]=4 1214 B8R1.37 CCCC(C)C1CO1 CNP0076696.0 [0,1,0,1,0,0|0,0,2]=4 1215 B8R1.54 N[C@@H](C(=O)O)C1CC1 CNP0022932.1 [0,1,0,1,0,0|1,0,0]=3 1216 B8R1.78 NC1(CCC1)C(=O)O CNP0340894.0 [0,1,0,1,0,0|1,0,0]=3 1217 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,1,0,1,0,0|1,0,1]=4 1218 B8R1.8 CCCC1CCCC1 CNP0271421.0 [0,1,0,1,0,0|1,0,1]=4 1219 B8R1.8 CCCC1CCSS1 CNP0313862.0 [0,1,0,1,0,0|1,1,0]=4 1220 B8R1.8 CCCC1NCCS1 CNP0002551.0 [0,1,0,1,0,0|2,0,0]=4 1221 B8R1.8 NCCC1CN=CN1 CNP0562963.0 [0,1,0,1,0,0|2,0,0]=4 1222 B8R1.8 O=CCC1CC=CC1 CNP0086435.0 [0,1,0,1,0,0|0,0,2]=4 1223 B8R1.11 CC1SCCN1N=O CNP0484852.0 [0,1,0,1,0,0|2,0,0]=4 1224 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,1,0,1,0,0|1,0,1]=4 1225 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,1,0,1,0,0|1,0,1]=4 1226 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,1,0,1,0,0|0,0,2]=4 1227 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,1,0,1,0,0|0,0,0]=2 1228 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,1,0,1,0,0|1,0,0]=3 1229 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,1,0,1,0,0|0,0,2]=4 1230 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [0,1,0,1,0,0|1,0,1]=4 1231 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,1,0,1,0,0|0,0,2]=4 1232 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,1,0,1,0,0|1,0,0]=3 1233 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [0,1,0,1,0,0|0,0,1]=3 1234 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [0,1,0,1,0,0|1,0,1]=4 1235 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [0,1,0,1,0,0|1,0,1]=4 1236 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [0,1,0,1,0,0|1,0,0]=3 1237 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [0,1,0,1,0,0|1,0,0]=3 1238 B8R2.11 C=C1C2C1CCC2 CNP0538845.0 [0,0,0,2,0,0|1,0,0]=3 1239 B8R2.22 C1=C[C@@H]2[C@H]1CCC2 CNP0231312.1 [0,0,0,2,0,0|1,0,0]=3 1240 B8R2.8 CC12CCC1(C2)C CNP0076854.0 [0,0,0,2,0,0|1,0,1]=4 1241 B8R2.38 CC1C=CC2C1C2 CNP0482788.0 [0,0,0,2,0,0|1,0,0]=3 1242 B8R2.25 C1CC[C@@H]2C[C@H]2C1 CNP0258217.1 [0,0,0,2,0,0|1,0,1]=4