0 B5R0.2 C=C=CCC=O CNP0509236.0 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.2 C=CC=CC=O CNP0022566.0 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.2 C=CC=CCC CNP0495438.0 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 C=CCC=CC CNP0292090.0 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.2 C=CCCC#N CNP0248596.0 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.2 C=CCCC=C CNP0079781.0 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.2 C=CCCC=O CNP0076959.0 [0,0,0,0,0,0|1,0,2]=3 7 B5R0.2 C=CCCCC CNP0264947.0 [0,0,0,0,0,0|2,0,0]=2 8 B5R0.2 C=CCCCO CNP0003396.0 [0,0,0,0,0,0|3,0,0]=3 9 B5R0.2 C=CCOC=C CNP0367857.0 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.2 C=CCOC=O CNP0541341.0 [0,0,0,0,0,0|0,0,2]=2 11 B5R0.2 C=CCSCC CNP0261096.0 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.2 C=CCSSC CNP0333880.0 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.2 C=CSSCC CNP0003136.0 [0,0,0,0,0,0|2,1,0]=3 14 B5R0.2 CC#CCCO CNP0515871.0 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.2 CC=C=CCO CNP0426440.0 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.2 CC=C=COC CNP0519318.0 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.2 CC=CC=CC CNP0611428.0 [0,0,0,0,0,0|2,0,2]=4 18 B5R0.2 CC=CCC#N CNP0080085.0 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.2 CC=CCC=O CNP0167409.0 [0,0,0,0,0,0|1,0,2]=3 20 B5R0.2 CC=CCCC CNP0419577.0 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.2 CC=CCCO CNP0253382.0 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.2 CC=CSSC CNP0214071.0 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.2 CCC#CCO CNP0076027.0 [0,0,0,0,0,0|1,0,3]=4 24 B5R0.2 CCC=CC#N CNP0080058.0 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.2 CCC=CC=O CNP0328747.0 [0,0,0,0,0,0|1,0,1]=2 26 B5R0.2 CCC=CCO CNP0239009.0 [0,0,0,0,0,0|1,0,3]=4 27 B5R0.2 CCC=CSC CNP0068372.0 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.2 CCC=CSO CNP0458289.0 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.2 CCC=NNC CNP0543863.0 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.2 CCCC=CO CNP0247153.0 [0,0,0,0,0,0|1,0,1]=2 31 B5R0.2 CCCC=NO CNP0071145.0 [0,0,0,0,0,0|2,0,1]=3 32 B5R0.2 CCCCC#N CNP0357663.0 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.2 CCCCC=O CNP0361186.0 [0,0,0,0,0,0|1,0,0]=1 34 B5R0.2 CCCCCBr CNP0018690.0 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.2 CCCCCC CNP0269021.0 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.2 CCCCCI CNP0017763.0 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.2 CCCCCN CNP0203183.0 [0,0,0,0,0,0|2,0,1]=3 38 B5R0.2 CCCCCO CNP0244882.0 [0,0,0,0,0,0|1,0,2]=3 39 B5R0.2 CCCCCS CNP0260876.0 [0,0,0,0,0,0|1,1,1]=3 40 B5R0.2 CCCCNC CNP0277639.0 [0,0,0,0,0,0|3,0,0]=3 41 B5R0.2 CCCCOC CNP0609033.0 [0,0,0,0,0,0|3,0,0]=3 42 B5R0.2 CCCCSC CNP0562965.0 [0,0,0,0,0,0|3,0,0]=3 43 B5R0.2 CCCC[S+]=O CNP0521772.0 [0,0,0,0,0,0|2,0,0]=2 44 B5R0.2 CCCN=C=S CNP0077279.0 [0,0,0,0,0,0|1,1,1]=3 45 B5R0.2 CCCOC=O CNP0326097.0 [0,0,0,0,0,0|0,0,0]=0 46 B5R0.2 CCCSC#N CNP0395197.0 [0,0,0,0,0,0|1,1,1]=3 47 B5R0.2 CCCSCC CNP0316215.0 [0,0,0,0,0,0|1,1,1]=3 48 B5R0.2 CCCSSC CNP0296815.0 [0,0,0,0,0,0|2,1,0]=3 49 B5R0.2 CCNCCN CNP0281269.0 [0,0,0,0,0,0|3,0,1]=4 50 B5R0.2 CCNCCO CNP0396370.0 [0,0,0,0,0,0|2,0,2]=4 51 B5R0.2 CCOCC#N CNP0184632.0 [0,0,0,0,0,0|2,0,2]=4 52 B5R0.2 CCOCCO CNP0319988.0 [0,0,0,0,0,0|2,0,1]=3 53 B5R0.2 CCSCCN CNP0506731.0 [0,0,0,0,0,0|2,1,1]=4 54 B5R0.2 CCSSCC CNP0416624.0 [0,0,0,0,0,0|2,1,1]=4 55 B5R0.2 CCSSSC CNP0407481.0 [0,0,0,0,0,0|3,1,0]=4 56 B5R0.2 CNCCNC CNP0480039.0 [0,0,0,0,0,0|4,0,0]=4 57 B5R0.2 COCCOC CNP0144142.0 [0,0,0,0,0,0|4,0,0]=4 58 B5R0.2 CSCCC=O CNP0136743.0 [0,0,0,0,0,0|2,0,0]=2 59 B5R0.2 CSCCCN CNP0348726.0 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.2 CSCCCO CNP0359993.0 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.2 CSCSSC CNP0313036.0 [0,0,0,0,0,0|3,1,0]=4 62 B5R0.2 N#CCCC=O CNP0181263.0 [0,0,0,0,0,0|2,0,1]=3 63 B5R0.2 N#CCCCO CNP0358912.0 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.2 NCCCC=O CNP0359033.0 [0,0,0,0,0,0|2,0,0]=2 65 B5R0.2 NCCCCN CNP0116270.0 [0,0,0,0,0,0|3,0,1]=4 66 B5R0.2 NCCCCO CNP0514594.0 [0,0,0,0,0,0|2,0,2]=4 67 B5R0.2 O=CC=CCO CNP0112016.0 [0,0,0,0,0,0|2,0,1]=3 68 B5R0.2 O=CCCC=O CNP0053830.0 [0,0,0,0,0,0|2,0,1]=3 69 B5R0.2 OCCCCBr CNP0083982.0 [0,0,0,0,0,0|2,0,2]=4 70 B5R0.2 OCCCCCl CNP0079807.0 [0,0,0,0,0,0|2,0,2]=4 71 B5R0.2 OCCCCO CNP0080008.0 [0,0,0,0,0,0|2,0,2]=4 72 B5R0.2 [C-]#[N+]CCCC CNP0522879.0 [0,0,0,0,0,0|3,0,0]=3 73 B4R0.2 C#CCC=O CNP0596193.0 [1,0,0,0,0,0|0,0,2]=3 74 B4R0.2 C#CCCC CNP0510243.0 [1,0,0,0,0,0|1,0,1]=3 75 B4R0.2 C#CCCO CNP0577358.0 [1,0,0,0,0,0|2,0,1]=4 76 B4R0.2 C=C=CCC CNP0484675.0 [1,0,0,0,0,0|1,0,1]=3 77 B4R0.2 C=CC=CC CNP0501543.0 [1,0,0,0,0,0|1,0,2]=4 78 B4R0.2 C=CCC#N CNP0498043.0 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 C=CCC=C CNP0494589.0 [1,0,0,0,0,0|1,0,2]=4 80 B4R0.2 C=CCCC CNP0529271.0 [1,0,0,0,0,0|1,0,0]=2 81 B4R0.2 C=CCCN CNP0493733.0 [1,0,0,0,0,0|2,0,0]=3 82 B4R0.2 C=CCCO CNP0599473.0 [1,0,0,0,0,0|2,0,0]=3 83 B4R0.2 C=CCSC CNP0572475.0 [1,0,0,0,0,0|2,0,0]=3 84 B4R0.2 C=CCSO CNP0600527.0 [1,0,0,0,0,0|3,0,0]=4 85 B4R0.2 C=CC[Se]C CNP0612039.0 [1,0,0,0,0,0|2,0,0]=3 86 B4R0.2 C=COCC CNP0567970.0 [1,0,0,0,0,0|1,0,0]=2 87 B4R0.2 C=CSCC CNP0581257.0 [1,0,0,0,0,0|1,1,0]=3 88 B4R0.2 C=NCC#N CNP0567708.0 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.2 CC#CCC CNP0516358.0 [1,0,0,0,0,0|1,0,2]=4 90 B4R0.2 CC=CC=O CNP0576575.0 [1,0,0,0,0,0|0,0,2]=3 91 B4R0.2 CC=CCC CNP0524560.0 [1,0,0,0,0,0|1,0,1]=3 92 B4R0.2 CC=CCO CNP0498228.0 [1,0,0,0,0,0|2,0,1]=4 93 B4R0.2 CC=CCS CNP0606069.0 [1,0,0,0,0,0|2,0,1]=4 94 B4R0.2 CC=CSC CNP0587371.0 [1,0,0,0,0,0|2,0,1]=4 95 B4R0.2 CCC#CO CNP0612045.0 [1,0,0,0,0,0|0,0,3]=4 96 B4R0.2 CCC=NO CNP0599998.0 [1,0,0,0,0,0|1,0,2]=4 97 B4R0.2 CCC=S=O CNP0514855.0 [1,0,0,0,0,0|0,1,1]=3 98 B4R0.2 CCCC=O CNP0518034.0 [1,0,0,0,0,0|0,0,0]=1 99 B4R0.2 CCCCC CNP0486380.0 [1,0,0,0,0,0|1,0,1]=3 100 B4R0.2 CCCCI CNP0558480.0 [1,0,0,0,0,0|1,0,1]=3 101 B4R0.2 CCCCN CNP0597509.0 [1,0,0,0,0,0|1,0,1]=3 102 B4R0.2 CCCCO CNP0505612.0 [1,0,0,0,0,0|0,0,2]=3 103 B4R0.2 CCCCS CNP0598878.0 [1,0,0,0,0,0|0,1,1]=3 104 B4R0.2 CCCNC CNP0599313.0 [1,0,0,0,0,0|1,0,1]=3 105 B4R0.2 CCCOC CNP0609062.0 [1,0,0,0,0,0|0,0,1]=2 106 B4R0.2 CCCSC CNP0481317.0 [1,0,0,0,0,0|0,1,1]=3 107 B4R0.2 CCCSO CNP0594110.0 [1,0,0,0,0,0|0,1,1]=3 108 B4R0.2 CCN=C=S CNP0601773.0 [1,0,0,0,0,0|1,1,1]=4 109 B4R0.2 CCNCC CNP0491960.0 [1,0,0,0,0,0|2,0,1]=4 110 B4R0.2 CCOC=O CNP0525155.0 [1,0,0,0,0,0|0,0,0]=1 111 B4R0.2 CCOCC CNP0572765.0 [1,0,0,0,0,0|1,0,1]=3 112 B4R0.2 CCON=O CNP0596964.0 [1,0,0,0,0,0|1,0,0]=2 113 B4R0.2 CCSC#N CNP0540962.0 [1,0,0,0,0,0|1,1,1]=4 114 B4R0.2 CCSCC CNP0518873.0 [1,0,0,0,0,0|1,1,1]=4 115 B4R0.2 CCSSC CNP0571147.0 [1,0,0,0,0,0|1,1,1]=4 116 B4R0.2 CN=CC=S CNP0547393.0 [1,0,0,0,0,0|1,1,1]=4 117 B4R0.2 CNCCN CNP0496542.0 [1,0,0,0,0,0|2,0,1]=4 118 B4R0.2 CNCCO CNP0513801.0 [1,0,0,0,0,0|1,0,2]=4 119 B4R0.2 COCCI CNP0495552.0 [1,0,0,0,0,0|1,0,1]=3 120 B4R0.2 COCCO CNP0561250.0 [1,0,0,0,0,0|1,0,1]=3 121 B4R0.2 COCC[Si] CNP0501162.0 [1,0,0,0,0,0|0,1,1]=3 122 B4R0.2 CSCC=O CNP0555203.0 [1,0,0,0,0,0|1,0,0]=2 123 B4R0.2 CSCCO CNP0574269.0 [1,0,0,0,0,0|1,0,2]=4 124 B4R0.2 CSCSC CNP0591427.0 [1,0,0,0,0,0|1,1,1]=4 125 B4R0.2 ClC=CCCl CNP0530301.0 [1,0,0,0,0,0|2,0,1]=4 126 B4R0.2 N#CCCN CNP0502764.0 [1,0,0,0,0,0|2,0,1]=4 127 B4R0.2 NCCC=O CNP0502520.0 [1,0,0,0,0,0|1,0,0]=2 128 B4R0.2 NCCCN CNP0566837.0 [1,0,0,0,0,0|2,0,1]=4 129 B4R0.2 NCCCO CNP0538228.0 [1,0,0,0,0,0|1,0,2]=4 130 B4R0.2 NCCCS CNP0560812.0 [1,0,0,0,0,0|1,1,1]=4 131 B4R0.2 NOCON CNP0531529.0 [1,0,0,0,0,0|3,0,0]=4 132 B4R0.2 O=CC=CCl CNP0542132.0 [1,0,0,0,0,0|1,0,2]=4 133 B4R0.2 O=CCC=O CNP0495847.0 [1,0,0,0,0,0|1,0,1]=3 134 B4R0.2 O=CCCO CNP0525339.0 [1,0,0,0,0,0|1,0,0]=2 135 B4R0.2 O=[As]O[As]=O CNP0507371.0 [1,0,0,0,0,0|3,0,0]=4 136 B4R0.2 O=[Fe]O[Fe]=O CNP0593370.0 [1,0,0,0,0,0|3,0,0]=4 137 B4R0.2 OCC=CCl CNP0578872.0 [1,0,0,0,0,0|2,0,1]=4 138 B4R0.2 OCCCBr CNP0506989.0 [1,0,0,0,0,0|1,0,2]=4 139 B4R0.2 OCCCO CNP0503416.0 [1,0,0,0,0,0|1,0,2]=4 140 B4R0.2 OCCCS CNP0586497.0 [1,0,0,0,0,0|1,0,2]=4 141 B4R0.2 SCCCS CNP0528691.0 [1,0,0,0,0,0|1,1,1]=4 142 B4R0.2 [C-]#[N+]CCC CNP0525086.0 [1,0,0,0,0,0|1,0,1]=3 143 B6R0.1 C#C[C@@H](O)CCC CNP0226736.1 [0,1,0,0,0,0|2,0,1]=4 144 B6R0.1 C#C[C@H](O)CCC CNP0226736.2 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.1 C=C(C=O)CC=O CNP0191239.0 [0,1,0,0,0,0|2,0,1]=4 146 B6R0.1 C=CC(=O)CCC CNP0162905.0 [0,1,0,0,0,0|2,0,0]=3 147 B6R0.1 C=CC(=O)OCC CNP0197495.0 [0,1,0,0,0,0|3,0,0]=4 148 B6R0.1 C=CCC(=O)CC CNP0580605.0 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.1 C=CC[C@H](C)C=O CNP0283012.1 [0,1,0,0,0,0|1,0,2]=4 150 B6R0.1 C=C[C@H](O)CCC CNP0193104.1 [0,1,0,0,0,0|2,0,0]=3 151 B6R0.1 CC(=CC=O)CO CNP0083852.0 [0,1,0,0,0,0|2,0,1]=4 152 B6R0.1 CC=C(C)CSC CNP0003230.0 [0,1,0,0,0,0|3,0,0]=4 153 B6R0.1 CC=CC(=O)CC CNP0127812.0 [0,1,0,0,0,0|2,0,1]=4 154 B6R0.1 CC=NN(C)C=O CNP0241743.0 [0,1,0,0,0,0|2,0,1]=4 155 B6R0.1 CCC(Br)CCBr CNP0612222.0 [0,1,0,0,0,0|2,0,1]=4 156 B6R0.1 CCC(C)C=NO CNP0605626.0 [0,1,0,0,0,0|2,0,1]=4 157 B6R0.1 CCC(C)CC=O CNP0531748.0 [0,1,0,0,0,0|1,0,0]=2 158 B6R0.1 CCC(C)NC=O CNP0583042.0 [0,1,0,0,0,0|1,0,0]=2 159 B6R0.1 CCC(C)OC=O CNP0570369.0 [0,1,0,0,0,0|0,0,0]=1 160 B6R0.1 CCC(C)ON=O CNP0521211.0 [0,1,0,0,0,0|1,0,0]=2 161 B6R0.1 CCC=C(C)C=O CNP0245615.0 [0,1,0,0,0,0|1,0,1]=3 162 B6R0.1 CCCC(=NO)C CNP0211014.0 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.1 CCCC(=O)C#N CNP0204240.0 [0,1,0,0,0,0|2,0,1]=4 164 B6R0.1 CCCC(=O)C=O CNP0111121.0 [0,1,0,0,0,0|1,0,0]=2 165 B6R0.1 CCCC(=O)CC CNP0248158.0 [0,1,0,0,0,0|2,0,1]=4 166 B6R0.1 CCCC(=O)CO CNP0084314.0 [0,1,0,0,0,0|1,0,2]=4 167 B6R0.1 CCCC(=O)OC CNP0159910.0 [0,1,0,0,0,0|3,0,0]=4 168 B6R0.1 CCCC(=O)SC CNP0084452.0 [0,1,0,0,0,0|3,0,0]=4 169 B6R0.1 CCCC(C)C#N CNP0583202.0 [0,1,0,0,0,0|2,0,1]=4 170 B6R0.1 CCC[C@@H](C)C=O CNP0370387.1 [0,1,0,0,0,0|1,0,0]=2 171 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [0,1,0,0,0,0|2,0,1]=4 172 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [0,1,0,0,0,0|1,0,2]=4 173 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [0,1,0,0,0,0|3,0,0]=4 174 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [0,1,0,0,0,0|2,0,1]=4 175 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [0,1,0,0,0,0|2,0,1]=4 176 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [0,1,0,0,0,0|1,0,2]=4 177 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [0,1,0,0,0,0|3,0,0]=4 178 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [0,1,0,0,0,0|2,0,1]=4 179 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [0,1,0,0,0,0|2,1,0]=4 180 B6R0.1 CCOC(=O)C=O CNP0218484.0 [0,1,0,0,0,0|2,0,0]=3 181 B6R0.1 CCOC(=O)CC CNP0169171.0 [0,1,0,0,0,0|1,0,2]=4 182 B6R0.1 CCOC(C)CC CNP0086282.0 [0,1,0,0,0,0|1,0,1]=3 183 B6R0.1 CCOC(C)OC CNP0612171.0 [0,1,0,0,0,0|2,0,1]=4 184 B6R0.1 CCSC(S)CC CNP0488688.0 [0,1,0,0,0,0|1,1,1]=4 185 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [0,1,0,0,0,0|1,0,2]=4 186 B6R0.1 CC[C@@H](C)N=C=S CNP0416348.1 [0,1,0,0,0,0|1,1,1]=4 187 B6R0.1 CC[C@@H](C)SSC CNP0348346.1 [0,1,0,0,0,0|2,1,0]=4 188 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [0,1,0,0,0,0|1,0,2]=4 189 B6R0.1 CC[C@H](C)N=C=S CNP0416348.2 [0,1,0,0,0,0|1,1,1]=4 190 B6R0.1 COC(=O)CC=O CNP0187576.0 [0,1,0,0,0,0|2,0,1]=4 191 B6R0.1 CSC(C)CC=O CNP0002406.0 [0,1,0,0,0,0|2,0,0]=3 192 B6R0.1 NC(C=O)CC=O CNP0515395.0 [0,1,0,0,0,0|2,0,1]=4 193 B6R0.1 O=CC(=O)CCO CNP0294743.0 [0,1,0,0,0,0|2,0,0]=3 194 B6R0.1 OCO[C@H](O)CO CNP0278922.1 [0,1,0,0,0,0|1,0,2]=4 195 B6R0.4 C=C(C)CCSC CNP0330891.0 [0,1,0,0,0,0|3,0,0]=4 196 B6R0.4 C=CCCC(=O)C CNP0610109.0 [0,1,0,0,0,0|1,0,2]=4 197 B6R0.4 C=CCCC(=O)N CNP0118917.0 [0,1,0,0,0,0|1,0,2]=4 198 B6R0.4 C=CCCC(=O)O CNP0003359.0 [0,1,0,0,0,0|1,0,2]=4 199 B6R0.4 C=CCCC(C)O CNP0519217.0 [0,1,0,0,0,0|2,0,0]=3 200 B6R0.4 C=CCOC(=O)C CNP0175648.0 [0,1,0,0,0,0|0,0,2]=3 201 B6R0.4 C=CCSC(=O)C CNP0301401.0 [0,1,0,0,0,0|0,1,2]=4 202 B6R0.4 C=CCSC(C)C CNP0309084.0 [0,1,0,0,0,0|3,0,0]=4 203 B6R0.4 CC(=CCC=O)C CNP0094675.0 [0,1,0,0,0,0|1,0,2]=4 204 B6R0.4 CC(=CCCN)C CNP0568876.0 [0,1,0,0,0,0|3,0,0]=4 205 B6R0.4 CC(=CCCO)C CNP0410779.0 [0,1,0,0,0,0|3,0,0]=4 206 B6R0.4 CC(=O)CCC=O CNP0261239.0 [0,1,0,0,0,0|1,0,1]=3 207 B6R0.4 CC(=O)NCCN CNP0182526.0 [0,1,0,0,0,0|2,0,0]=3 208 B6R0.4 CC(=O)NCCO CNP0304709.0 [0,1,0,0,0,0|2,0,0]=3 209 B6R0.4 CC(=O)NCCS CNP0516453.0 [0,1,0,0,0,0|2,0,0]=3 210 B6R0.4 CC(=O)OCCI CNP0274212.0 [0,1,0,0,0,0|1,0,0]=2 211 B6R0.4 CC(=O)OCCN CNP0165405.0 [0,1,0,0,0,0|1,0,0]=2 212 B6R0.4 CC(=O)OCCO CNP0589275.0 [0,1,0,0,0,0|1,0,0]=2 213 B6R0.4 CC(C)C=CC=O CNP0003528.0 [0,1,0,0,0,0|1,0,1]=3 214 B6R0.4 CC(C)CC#CO CNP0482838.0 [0,1,0,0,0,0|1,0,2]=4 215 B6R0.4 CC(C)CC=NO CNP0235743.0 [0,1,0,0,0,0|2,0,1]=4 216 B6R0.4 CC(C)CCC#N CNP0386277.0 [0,1,0,0,0,0|2,0,1]=4 217 B6R0.4 CC(C)CCC=O CNP0198082.0 [0,1,0,0,0,0|1,0,0]=2 218 B6R0.4 CC(C)CCCO CNP0344466.0 [0,1,0,0,0,0|1,0,2]=4 219 B6R0.4 CC(C)CN=C=S CNP0414473.0 [0,1,0,0,0,0|1,1,1]=4 220 B6R0.4 CC(C)CNC=O CNP0473867.0 [0,1,0,0,0,0|1,0,0]=2 221 B6R0.4 CC(C)COC=O CNP0232692.0 [0,1,0,0,0,0|0,0,0]=1 222 B6R0.4 CC(C)CON=O CNP0224607.0 [0,1,0,0,0,0|1,0,0]=2 223 B6R0.4 CC(C)CSC#N CNP0268195.0 [0,1,0,0,0,0|1,1,1]=4 224 B6R0.4 CC(C)OCCO CNP0079907.0 [0,1,0,0,0,0|2,0,1]=4 225 B6R0.4 CC=CCC(=O)O CNP0610144.0 [0,1,0,0,0,0|1,0,2]=4 226 B6R0.4 CC=CCC(C)C CNP0081831.0 [0,1,0,0,0,0|2,0,0]=3 227 B6R0.4 CC=CCC(C)O CNP0217280.0 [0,1,0,0,0,0|2,0,0]=3 228 B6R0.4 CCC=CC(=O)C CNP0129352.0 [0,1,0,0,0,0|1,0,1]=3 229 B6R0.4 CCC=CC(=O)O CNP0185292.0 [0,1,0,0,0,0|1,0,1]=3 230 B6R0.4 CCCC=C(C)O CNP0268446.0 [0,1,0,0,0,0|1,0,1]=3 231 B6R0.4 CCCCB(O)O CNP0482760.0 [0,1,0,0,0,0|2,0,1]=4 232 B6R0.4 CCCCC(=O)C CNP0194685.0 [0,1,0,0,0,0|1,0,0]=2 233 B6R0.4 CCCCC(=O)N CNP0248834.0 [0,1,0,0,0,0|1,0,0]=2 234 B6R0.4 CCCCC(=O)O CNP0144818.0 [0,1,0,0,0,0|1,0,0]=2 235 B6R0.4 CCCCC(C)C CNP0312749.0 [0,1,0,0,0,0|2,0,1]=4 236 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [0,1,0,0,0,0|1,0,0]=2 237 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [0,1,0,0,0,0|1,0,2]=4 238 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [0,1,0,0,0,0|1,0,2]=4 239 B6R0.4 CCCNC(=O)C CNP0115400.0 [0,1,0,0,0,0|1,0,0]=2 240 B6R0.4 CCCOC(=O)C CNP0274142.0 [0,1,0,0,0,0|0,0,0]=1 241 B6R0.4 CCCSC(=O)C CNP0076500.0 [0,1,0,0,0,0|0,1,0]=2 242 B6R0.4 CCCSC(C)C CNP0228244.0 [0,1,0,0,0,0|1,1,1]=4 243 B6R0.4 CCCSC(C)S CNP0609747.0 [0,1,0,0,0,0|0,2,1]=4 244 B6R0.4 CCCS[S+](C)[O-] CNP0597218.0 [0,1,0,0,0,0|1,1,1]=4 245 B6R0.4 CCNCC(=O)O CNP0076362.0 [0,1,0,0,0,0|2,0,0]=3 246 B6R0.4 CCNCC(C)C CNP0165310.0 [0,1,0,0,0,0|2,0,1]=4 247 B6R0.4 CCOCC(=O)N CNP0329352.0 [0,1,0,0,0,0|2,0,0]=3 248 B6R0.4 CCOCC(=O)O CNP0229583.0 [0,1,0,0,0,0|2,0,0]=3 249 B6R0.4 CCOC[C@@H](C)O CNP0076159.1 [0,1,0,0,0,0|1,0,1]=3 250 B6R0.4 CCSCC(C)C CNP0208462.0 [0,1,0,0,0,0|1,1,1]=4 251 B6R0.4 CNCCC(=O)O CNP0502963.0 [0,1,0,0,0,0|2,0,0]=3 252 B6R0.4 CNCCC(C)C CNP0254439.0 [0,1,0,0,0,0|3,0,0]=4 253 B6R0.4 COCC=C(C)C CNP0493784.0 [0,1,0,0,0,0|3,0,0]=4 254 B6R0.4 COCCC(C)C CNP0316382.0 [0,1,0,0,0,0|3,0,0]=4 255 B6R0.4 CSC=CC(=O)N CNP0140289.0 [0,1,0,0,0,0|2,0,1]=4 256 B6R0.4 CSC=CC(=O)O CNP0140653.0 [0,1,0,0,0,0|2,0,1]=4 257 B6R0.4 CSCCC(=O)C CNP0353152.0 [0,1,0,0,0,0|2,0,0]=3 258 B6R0.4 CSCCC(=O)N CNP0220146.0 [0,1,0,0,0,0|2,0,0]=3 259 B6R0.4 CSCCC(=O)O CNP0143779.0 [0,1,0,0,0,0|2,0,0]=3 260 B6R0.4 CSCC[C@@H](C)O CNP0206291.1 [0,1,0,0,0,0|3,0,0]=4 261 B6R0.4 CSCSC(=O)C CNP0232862.0 [0,1,0,0,0,0|1,1,0]=3 262 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [0,1,0,0,0,0|2,0,0]=3 263 B6R0.4 C[S+](C)CCC=O CNP0136791.0 [0,1,0,0,0,0|2,0,0]=3 264 B6R0.4 NC(=O)CCCO CNP0573523.0 [0,1,0,0,0,0|2,0,0]=3 265 B6R0.4 NCC=CC(=O)O CNP0250683.0 [0,1,0,0,0,0|2,0,1]=4 266 B6R0.4 NCCCC(=O)O CNP0116256.0 [0,1,0,0,0,0|2,0,0]=3 267 B6R0.4 NCCN[N+](=O)[O-] CNP0355337.0 [0,1,0,0,0,0|3,0,0]=4 268 B6R0.4 NCCOB(O)O CNP0548675.0 [0,1,0,0,0,0|2,0,1]=4 269 B6R0.4 NCCOP(O)O CNP0382987.0 [0,1,0,0,0,0|2,0,1]=4 270 B6R0.4 O=C(O)C=CCO CNP0097506.0 [0,1,0,0,0,0|2,0,1]=4 271 B6R0.4 O=C(O)CCCO CNP0236331.0 [0,1,0,0,0,0|2,0,0]=3 272 B6R0.4 O=C([O-])CCCO CNP0492590.0 [0,1,0,0,0,0|2,0,0]=3 273 B6R0.4 O=CCCC(=O)O CNP0318740.0 [0,1,0,0,0,0|2,0,1]=4 274 B6R0.4 O=CNCC(=O)O CNP0082901.0 [0,1,0,0,0,0|2,0,1]=4 275 B6R0.4 O=S(=O)OCCO CNP0082071.0 [0,1,0,0,0,0|2,0,0]=3 276 B6R0.4 O=[N+]([O-])CCCO CNP0184942.0 [0,1,0,0,0,0|3,0,0]=4 277 B6R0.6 C#CCCCCO CNP0289179.0 [0,1,0,0,0,0|2,0,1]=4 278 B6R0.6 C=CC=CCCC CNP0526826.0 [0,1,0,0,0,0|2,0,0]=3 279 B6R0.6 C=CCCC=CC CNP0426808.0 [0,1,0,0,0,0|2,0,1]=4 280 B6R0.6 C=CCCCC#N CNP0287374.0 [0,1,0,0,0,0|2,0,1]=4 281 B6R0.6 C=CCCCC=C CNP0115869.0 [0,1,0,0,0,0|2,0,1]=4 282 B6R0.6 C=CCCCCC CNP0226691.0 [0,1,0,0,0,0|2,0,0]=3 283 B6R0.6 C=CCCCCO CNP0162421.0 [0,1,0,0,0,0|2,0,0]=3 284 B6R0.6 C=CCOCCO CNP0248950.0 [0,1,0,0,0,0|2,0,0]=3 285 B6R0.6 C=CCSCCC CNP0150756.0 [0,1,0,0,0,0|1,1,0]=3 286 B6R0.6 C=COCCCC CNP0077236.0 [0,1,0,0,0,0|1,0,0]=2 287 B6R0.6 CC#CC#CC=O CNP0301631.0 [0,1,0,0,0,0|1,0,2]=4 288 B6R0.6 CC#CCCCO CNP0320046.0 [0,1,0,0,0,0|2,0,1]=4 289 B6R0.6 CC=CC=CC=O CNP0182801.0 [0,1,0,0,0,0|1,0,2]=4 290 B6R0.6 CC=CC=CCC CNP0608489.0 [0,1,0,0,0,0|2,0,1]=4 291 B6R0.6 CC=CCCC=O CNP0056069.0 [0,1,0,0,0,0|1,0,1]=3 292 B6R0.6 CC=CCCCC CNP0158475.0 [0,1,0,0,0,0|2,0,0]=3 293 B6R0.6 CC=CCCCO CNP0309139.0 [0,1,0,0,0,0|2,0,0]=3 294 B6R0.6 CC=CCSCC CNP0575773.0 [0,1,0,0,0,0|2,0,0]=3 295 B6R0.6 CC=COC=CC CNP0612224.0 [0,1,0,0,0,0|1,0,2]=4 296 B6R0.6 CC=CSCCC CNP0320861.0 [0,1,0,0,0,0|1,1,0]=3 297 B6R0.6 CC=CSSCC CNP0418756.0 [0,1,0,0,0,0|2,1,0]=4 298 B6R0.6 CCC=C=CC=O CNP0611366.0 [0,1,0,0,0,0|1,0,1]=3 299 B6R0.6 CCC=C=CCC CNP0518397.0 [0,1,0,0,0,0|2,0,1]=4 300 B6R0.6 CCC=CCC=O CNP0227189.0 [0,1,0,0,0,0|1,0,1]=3 301 B6R0.6 CCC=CCCC CNP0391454.0 [0,1,0,0,0,0|2,0,0]=3 302 B6R0.6 CCC=CCCO CNP0255718.0 [0,1,0,0,0,0|3,0,0]=4 303 B6R0.6 CCCC#CCO CNP0314465.0 [0,1,0,0,0,0|1,0,2]=4 304 B6R0.6 CCCC=CC=O CNP0263913.0 [0,1,0,0,0,0|1,0,0]=2 305 B6R0.6 CCCC=CCO CNP0254124.0 [0,1,0,0,0,0|1,0,1]=3 306 B6R0.6 CCCC=CNO CNP0162409.0 [0,1,0,0,0,0|1,0,1]=3 307 B6R0.6 CCCCC=CO CNP0511187.0 [0,1,0,0,0,0|1,0,1]=3 308 B6R0.6 CCCCC=NO CNP0149695.0 [0,1,0,0,0,0|1,0,1]=3 309 B6R0.6 CCCCCC#N CNP0412353.0 [0,1,0,0,0,0|2,0,1]=4 310 B6R0.6 CCCCCC=O CNP0304790.0 [0,1,0,0,0,0|1,0,0]=2 311 B6R0.6 CCCCCCC CNP0290800.0 [0,1,0,0,0,0|2,0,1]=4 312 B6R0.6 CCCCCCN CNP0213933.0 [0,1,0,0,0,0|2,0,1]=4 313 B6R0.6 CCCCCCO CNP0317600.0 [0,1,0,0,0,0|1,0,2]=4 314 B6R0.6 CCCCCCS CNP0167948.0 [0,1,0,0,0,0|1,1,1]=4 315 B6R0.6 CCCCCC[O-] CNP0579903.0 [0,1,0,0,0,0|1,0,2]=4 316 B6R0.6 CCCCCNC CNP0276164.0 [0,1,0,0,0,0|2,0,1]=4 317 B6R0.6 CCCCCOC CNP0358174.0 [0,1,0,0,0,0|1,0,2]=4 318 B6R0.6 CCCCCSC CNP0293012.0 [0,1,0,0,0,0|1,1,1]=4 319 B6R0.6 CCCCCSS CNP0228282.0 [0,1,0,0,0,0|1,1,1]=4 320 B6R0.6 CCCCN=C=S CNP0328773.0 [0,1,0,0,0,0|1,1,1]=4 321 B6R0.6 CCCCNC=O CNP0082472.0 [0,1,0,0,0,0|1,0,0]=2 322 B6R0.6 CCCCOC=O CNP0282325.0 [0,1,0,0,0,0|0,0,0]=1 323 B6R0.6 CCCCON=O CNP0003508.0 [0,1,0,0,0,0|1,0,0]=2 324 B6R0.6 CCCCSSC CNP0532819.0 [0,1,0,0,0,0|2,1,0]=4 325 B6R0.6 CCCNCCC CNP0129820.0 [0,1,0,0,0,0|2,0,1]=4 326 B6R0.6 CCCOCCO CNP0079853.0 [0,1,0,0,0,0|0,0,2]=3 327 B6R0.6 CCCSCCC CNP0173387.0 [0,1,0,0,0,0|1,1,1]=4 328 B6R0.6 CCCSSCC CNP0322971.0 [0,1,0,0,0,0|1,1,1]=4 329 B6R0.6 CCCSSSC CNP0104471.0 [0,1,0,0,0,0|1,2,0]=4 330 B6R0.6 CCOCCCO CNP0304052.0 [0,1,0,0,0,0|1,0,1]=3 331 B6R0.6 CCOCCCS CNP0267296.0 [0,1,0,0,0,0|1,0,1]=3 332 B6R0.6 CCSCCCO CNP0355297.0 [0,1,0,0,0,0|1,0,2]=4 333 B6R0.6 CNCCCCN CNP0157274.0 [0,1,0,0,0,0|2,0,1]=4 334 B6R0.6 COCCCCO CNP0570905.0 [0,1,0,0,0,0|1,0,2]=4 335 B6R0.6 CSCCCC#N CNP0286857.0 [0,1,0,0,0,0|2,0,1]=4 336 B6R0.6 CSCCCC=O CNP0002814.0 [0,1,0,0,0,0|1,0,0]=2 337 B6R0.6 CSCCCCO CNP0002400.0 [0,1,0,0,0,0|1,0,2]=4 338 B6R0.6 CSCCCN=S CNP0092190.0 [0,1,0,0,0,0|2,1,0]=4 339 B6R0.6 CSCCN=C=S CNP0002691.0 [0,1,0,0,0,0|1,1,1]=4 340 B6R0.6 ClCCOCCCl CNP0082891.0 [0,1,0,0,0,0|2,0,1]=4 341 B6R0.6 NCCCCC=O CNP0083786.0 [0,1,0,0,0,0|1,0,0]=2 342 B6R0.6 NCCCCCN CNP0184259.0 [0,1,0,0,0,0|2,0,1]=4 343 B6R0.6 NCCCCCO CNP0032450.0 [0,1,0,0,0,0|1,0,2]=4 344 B6R0.6 NCCOCCN CNP0447264.0 [0,1,0,0,0,0|2,0,1]=4 345 B6R0.6 O=CCCCC=O CNP0204417.0 [0,1,0,0,0,0|1,0,1]=3 346 B6R0.6 OCCCCCO CNP0201249.0 [0,1,0,0,0,0|1,0,2]=4 347 B6R0.6 OCCCN=C=S CNP0612043.0 [0,1,0,0,0,0|1,1,1]=4 348 B6R0.6 OCCOCCO CNP0333860.0 [0,1,0,0,0,0|1,0,2]=4 349 B6R0.6 [CH2-]CCCCC#[O+] CNP0596536.0 [0,1,0,0,0,0|1,0,2]=4 350 B6R1.1 C1=CCCC=C1 CNP0267898.0 [0,0,0,1,0,0|2,0,1]=4 351 B6R1.1 C1=CCCCC1 CNP0275665.0 [0,0,0,1,0,0|2,0,0]=3 352 B6R1.1 C1=CCNCC1 CNP0086452.0 [0,0,0,1,0,0|3,0,0]=4 353 B6R1.1 C1=CCOC=C1 CNP0513975.0 [0,0,0,1,0,0|1,0,2]=4 354 B6R1.1 C1=CNCCC1 CNP0200592.0 [0,0,0,1,0,0|2,0,0]=3 355 B6R1.1 C1=COCCC1 CNP0583467.0 [0,0,0,1,0,0|1,0,0]=2 356 B6R1.1 C1=CSSCC1 CNP0530429.0 [0,0,0,1,0,0|2,1,0]=4 357 B6R1.1 C1=NCCCC1 CNP0139263.0 [0,0,0,1,0,0|2,0,0]=3 358 B6R1.1 C1CCCCC1 CNP0220772.0 [0,0,0,1,0,0|2,0,1]=4 359 B6R1.1 C1CCNCC1 CNP0153358.0 [0,0,0,1,0,0|2,0,1]=4 360 B6R1.1 C1CCOCC1 CNP0484551.0 [0,0,0,1,0,0|1,0,1]=3 361 B6R1.1 C1COCCN1 CNP0167865.0 [0,0,0,1,0,0|2,0,1]=4 362 B6R1.1 C1COCCO1 CNP0353166.0 [0,0,0,1,0,0|2,0,1]=4 363 B6R1.1 C1COCSC1 CNP0517977.0 [0,0,0,1,0,0|0,1,1]=3 364 B6R1.1 C1CSCSC1 CNP0221424.0 [0,0,0,1,0,0|0,2,1]=4 365 B6R1.1 C1CSSSC1 CNP0124260.0 [0,0,0,1,0,0|1,2,0]=4 366 B6R1.1 [CH]1C=CCCC1 CNP0541179.0 [0,0,0,1,0,0|2,0,0]=3 367 B6R1.2 C=C1C=CCC1 CNP0269204.0 [0,0,0,1,0,0|2,0,1]=4 368 B6R1.2 C=C1CCCC1 CNP0338602.0 [0,0,0,1,0,0|2,0,0]=3 369 B6R1.2 CC1=CCCC1 CNP0610106.0 [0,0,0,1,0,0|2,0,0]=3 370 B6R1.2 CC1=CCCS1 CNP0003101.0 [0,0,0,1,0,0|1,1,1]=4 371 B6R1.2 CC1=CCOC1 CNP0516552.0 [0,0,0,1,0,0|1,0,2]=4 372 B6R1.2 CC1=COC=C1 CNP0401605.0 [0,0,0,1,0,0|1,0,2]=4 373 B6R1.2 CC1=COCC1 CNP0002470.0 [0,0,0,1,0,0|3,0,0]=4 374 B6R1.2 CC1=NCCO1 CNP0601624.0 [0,0,0,1,0,0|2,0,0]=3 375 B6R1.2 CC1=NCCS1 CNP0225264.0 [0,0,0,1,0,0|2,1,0]=4 376 B6R1.2 CC1=NCSC1 CNP0134706.0 [0,0,0,1,0,0|3,0,0]=4 377 B6R1.2 CC1C=COC1 CNP0165220.0 [0,0,0,1,0,0|1,0,0]=2 378 B6R1.2 CC1CC=CS1 CNP0249135.0 [0,0,0,1,0,0|1,1,0]=3 379 B6R1.2 CC1CCCC1 CNP0194612.0 [0,0,0,1,0,0|2,0,1]=4 380 B6R1.2 CC1CCCO1 CNP0502439.0 [0,0,0,1,0,0|1,0,1]=3 381 B6R1.2 CC1OCCO1 CNP0611683.0 [0,0,0,1,0,0|2,0,1]=4 382 B6R1.2 CN1CC=CC1 CNP0257888.0 [0,0,0,1,0,0|3,0,0]=4 383 B6R1.2 CN1CCCC1 CNP0395436.0 [0,0,0,1,0,0|3,0,0]=4 384 B6R1.2 C[C@@H]1C=CNC1 CNP0309884.1 [0,0,0,1,0,0|2,0,0]=3 385 B6R1.2 C[C@@H]1C=CSS1 CNP0139337.1 [0,0,0,1,0,0|2,1,0]=4 386 B6R1.2 C[C@@H]1CCCN1 CNP0080827.1 [0,0,0,1,0,0|2,0,1]=4 387 B6R1.2 C[C@@H]1CCSC1 CNP0174337.1 [0,0,0,1,0,0|1,1,1]=4 388 B6R1.2 C[C@H]1C=CSS1 CNP0139337.2 [0,0,0,1,0,0|2,1,0]=4 389 B6R1.2 C[N+]1=CCCC1 CNP0251573.0 [0,0,0,1,0,0|3,0,0]=4 390 B6R1.2 NC1=NCCS1 CNP0490176.0 [0,0,0,1,0,0|2,1,0]=4 391 B6R1.2 NN1CCCC1 CNP0577233.0 [0,0,0,1,0,0|3,0,0]=4 392 B6R1.2 O=C1C=CCC1 CNP0122561.0 [0,0,0,1,0,0|1,0,1]=3 393 B6R1.2 O=C1C=CCO1 CNP0253714.0 [0,0,0,1,0,0|0,0,2]=3 394 B6R1.2 O=C1C=CNO1 CNP0275546.0 [0,0,0,1,0,0|1,0,2]=4 395 B6R1.2 O=C1C=COO1 CNP0482120.0 [0,0,0,1,0,0|1,0,2]=4 396 B6R1.2 O=C1CC=CO1 CNP0494071.0 [0,0,0,1,0,0|0,0,2]=3 397 B6R1.2 O=C1CCCC1 CNP0287963.0 [0,0,0,1,0,0|1,0,0]=2 398 B6R1.2 O=C1CCCN1 CNP0127855.0 [0,0,0,1,0,0|1,0,0]=2 399 B6R1.2 O=C1CCCO1 CNP0315299.0 [0,0,0,1,0,0|0,0,0]=1 400 B6R1.2 O=C1CCCS1 CNP0084584.0 [0,0,0,1,0,0|0,1,0]=2 401 B6R1.2 O=C1CCNN1 CNP0035182.0 [0,0,0,1,0,0|2,0,0]=3 402 B6R1.2 O=C1CCOC1 CNP0051503.0 [0,0,0,1,0,0|2,0,0]=3 403 B6R1.2 O=C1CCON1 CNP0325381.0 [0,0,0,1,0,0|2,0,0]=3 404 B6R1.2 O=C1CCSC1 CNP0003522.0 [0,0,0,1,0,0|2,0,0]=3 405 B6R1.2 O=C1CN=CN1 CNP0321519.0 [0,0,0,1,0,0|2,0,1]=4 406 B6R1.2 O=C1NCCO1 CNP0064744.0 [0,0,0,1,0,0|1,0,0]=2 407 B6R1.2 O=C1OC=CO1 CNP0585701.0 [0,0,0,1,0,0|1,0,2]=4 408 B6R1.2 OB1OCCO1 CNP0510130.0 [0,0,0,1,0,0|2,0,1]=4 409 B6R1.2 OC1=NCCC1 CNP0485346.0 [0,0,0,1,0,0|1,0,1]=3 410 B6R1.2 OC1=NOCC1 CNP0504784.0 [0,0,0,1,0,0|2,0,1]=4 411 B6R1.2 OC1CCCC1 CNP0085994.0 [0,0,0,1,0,0|1,0,2]=4 412 B6R1.2 O[C@H]1CNOC1 CNP0590444.1 [0,0,0,1,0,0|3,0,0]=4 413 B6R1.2 S=C1NCCN1 CNP0310090.0 [0,0,0,1,0,0|2,1,0]=4 414 B6R1.2 S=C1NCCO1 CNP0275785.0 [0,0,0,1,0,0|1,1,0]=3 415 B6R1.2 SC1=NCCO1 CNP0580429.0 [0,0,0,1,0,0|1,1,0]=3 416 B6R1.2 SC1CCCC1 CNP0280825.0 [0,0,0,1,0,0|1,1,1]=4 417 B6R1.2 SC1CCCS1 CNP0002503.0 [0,0,0,1,0,0|0,2,1]=4 418 B6R1.2 [O-][N+]1=CCCC1 CNP0558986.0 [0,0,0,1,0,0|2,0,1]=4 419 B6R1.3 CCCC1CC1 CNP0506060.0 [0,0,0,1,0,0|2,0,1]=4 420 B6R1.3 S=C=NC1CC1 CNP0158262.0 [0,0,0,1,0,0|1,1,1]=4 421 B6R1.4 C[C@@H]1CCC1=O CNP0253900.1 [0,0,0,1,0,0|1,0,0]=2 422 B6R1.4 C[C@H]1CS[C@@H]1C CNP0207395.1 [0,0,0,1,0,0|1,1,1]=4 423 B6R1.6 OCC1C=CC1 CNP0202846.0 [0,0,0,1,0,0|3,0,0]=4 424 B6R1.8 CC[C@@H]1C[C@@H]1C CNP0076250.1 [0,0,0,1,0,0|2,0,1]=4 425 B6R1.8 O=C1C=C1CO CNP0214079.0 [0,0,0,1,0,0|2,0,1]=4 426 B6R1.8 O=C1CC1CO CNP0073765.0 [0,0,0,1,0,0|2,0,0]=3 427 B3R0.1 BrCCBr CNP0591557.0 [2,0,0,0,0,0|2,0,0]=4 428 B3R0.1 BrCCI CNP0495630.0 [2,0,0,0,0,0|2,0,0]=4 429 B3R0.1 C#CC=O CNP0511000.0 [2,0,0,0,0,0|0,0,2]=4 430 B3R0.1 C#CCC CNP0509561.0 [2,0,0,0,0,0|0,0,2]=4 431 B3R0.1 C#CCO CNP0488604.0 [2,0,0,0,0,0|0,0,2]=4 432 B3R0.1 C#[N+]CC CNP0559170.0 [2,0,0,0,0,0|1,0,1]=4 433 B3R0.1 C=C=CC CNP0584937.0 [2,0,0,0,0,0|0,0,2]=4 434 B3R0.1 C=CC=O CNP0603221.0 [2,0,0,0,0,0|0,0,2]=4 435 B3R0.1 C=CCC CNP0490956.0 [2,0,0,0,0,0|0,0,1]=3 436 B3R0.1 C=CCN CNP0585503.0 [2,0,0,0,0,0|1,0,1]=4 437 B3R0.1 C=CCO CNP0561492.0 [2,0,0,0,0,0|0,0,2]=4 438 B3R0.1 C=CCS CNP0575677.0 [2,0,0,0,0,0|1,0,1]=4 439 B3R0.1 C=COC CNP0611794.0 [2,0,0,0,0,0|1,0,0]=3 440 B3R0.1 CC=CBr CNP0509639.0 [2,0,0,0,0,0|1,0,1]=4 441 B3R0.1 CC=CC CNP0597271.0 [2,0,0,0,0,0|1,0,1]=4 442 B3R0.1 CC=CS CNP0589530.0 [2,0,0,0,0,0|0,1,1]=4 443 B3R0.1 CC=NO CNP0512137.0 [2,0,0,0,0,0|1,0,1]=4 444 B3R0.1 CCC#N CNP0564998.0 [2,0,0,0,0,0|1,0,1]=4 445 B3R0.1 CCC=O CNP0570013.0 [2,0,0,0,0,0|0,0,0]=2 446 B3R0.1 CCC=S CNP0546828.0 [2,0,0,0,0,0|0,1,0]=3 447 B3R0.1 CCCBr CNP0561445.0 [2,0,0,0,0,0|1,0,0]=3 448 B3R0.1 CCCC CNP0597736.0 [2,0,0,0,0,0|0,0,1]=3 449 B3R0.1 CCCI CNP0596010.0 [2,0,0,0,0,0|1,0,0]=3 450 B3R0.1 CCCN CNP0600530.0 [2,0,0,0,0,0|1,0,0]=3 451 B3R0.1 CCCO CNP0605151.0 [2,0,0,0,0,0|0,0,0]=2 452 B3R0.1 CCCS CNP0572992.0 [2,0,0,0,0,0|0,1,0]=3 453 B3R0.1 CCN=O CNP0552947.0 [2,0,0,0,0,0|1,0,0]=3 454 B3R0.1 CCNC CNP0563252.0 [2,0,0,0,0,0|1,0,1]=4 455 B3R0.1 CCOC CNP0484105.0 [2,0,0,0,0,0|0,0,1]=3 456 B3R0.1 CCOO CNP0591807.0 [2,0,0,0,0,0|0,0,1]=3 457 B3R0.1 CCSC CNP0596541.0 [2,0,0,0,0,0|0,1,1]=4 458 B3R0.1 CCSO CNP0559716.0 [2,0,0,0,0,0|1,0,0]=3 459 B3R0.1 CN=C=O CNP0542197.0 [2,0,0,0,0,0|1,0,1]=4 460 B3R0.1 CNC=O CNP0565671.0 [2,0,0,0,0,0|1,0,0]=3 461 B3R0.1 COC=O CNP0494242.0 [2,0,0,0,0,0|0,0,0]=2 462 B3R0.1 COOC CNP0610139.0 [2,0,0,0,0,0|1,0,1]=4 463 B3R0.1 ClCCBr CNP0493040.0 [2,0,0,0,0,0|2,0,0]=4 464 B3R0.1 ClCCCl CNP0592018.0 [2,0,0,0,0,0|2,0,0]=4 465 B3R0.1 N=CCN CNP0547283.0 [2,0,0,0,0,0|2,0,0]=4 466 B3R0.1 NCC=O CNP0566697.0 [2,0,0,0,0,0|1,0,0]=3 467 B3R0.1 NCCN CNP0531974.0 [2,0,0,0,0,0|2,0,0]=4 468 B3R0.1 NCCO CNP0581653.0 [2,0,0,0,0,0|1,0,0]=3 469 B3R0.1 NCCS CNP0490978.0 [2,0,0,0,0,0|1,1,0]=4 470 B3R0.1 NCC[O] CNP0586934.0 [2,0,0,0,0,0|1,0,1]=4 471 B3R0.1 NNC=O CNP0501881.0 [2,0,0,0,0,0|2,0,0]=4 472 B3R0.1 O=BOO CNP0541096.0 [2,0,0,0,0,0|2,0,0]=4 473 B3R0.1 O=CC=O CNP0605189.0 [2,0,0,0,0,0|1,0,1]=4 474 B3R0.1 O=CCBr CNP0516788.0 [2,0,0,0,0,0|1,0,0]=3 475 B3R0.1 O=CCO CNP0600524.0 [2,0,0,0,0,0|1,0,0]=3 476 B3R0.1 O=CCS CNP0591045.0 [2,0,0,0,0,0|1,0,0]=3 477 B3R0.1 O=NOO CNP0508221.0 [2,0,0,0,0,0|2,0,0]=4 478 B3R0.1 OCCCl CNP0532317.0 [2,0,0,0,0,0|1,0,0]=3 479 B3R0.1 OCCI CNP0489668.0 [2,0,0,0,0,0|1,0,0]=3 480 B3R0.1 OCCO CNP0484938.0 [2,0,0,0,0,0|1,0,0]=3 481 B3R0.1 OCCS CNP0576505.0 [2,0,0,0,0,0|1,0,0]=3 482 B3R0.1 SCCS CNP0506336.0 [2,0,0,0,0,0|1,1,0]=4 483 B5R0.1 C#CCC(=O)O CNP0049385.0 [1,1,0,0,0,0|0,0,2]=4 484 B5R0.1 C=C(Br)CCO CNP0595001.0 [1,1,0,0,0,0|2,0,0]=4 485 B5R0.1 C=C(C)CCC CNP0179329.0 [1,1,0,0,0,0|1,0,0]=3 486 B5R0.1 C=C(C)CCO CNP0285127.0 [1,1,0,0,0,0|2,0,0]=4 487 B5R0.1 C=C(O)CCC CNP0003382.0 [1,1,0,0,0,0|0,0,1]=3 488 B5R0.1 C=CCC(=O)C CNP0385825.0 [1,1,0,0,0,0|0,0,2]=4 489 B5R0.1 C=CCC(=O)N CNP0292806.0 [1,1,0,0,0,0|0,0,2]=4 490 B5R0.1 C=CCC(=O)O CNP0172155.0 [1,1,0,0,0,0|0,0,2]=4 491 B5R0.1 C=CCC(C)C CNP0293683.0 [1,1,0,0,0,0|1,0,0]=3 492 B5R0.1 C=CCC(C)O CNP0594112.0 [1,1,0,0,0,0|1,0,0]=3 493 B5R0.1 C=CC[S@+](C)[O-] CNP0483153.2 [1,1,0,0,0,0|2,0,0]=4 494 B5R0.1 C=CC[S@@+](C)[O-] CNP0483153.1 [1,1,0,0,0,0|2,0,0]=4 495 B5R0.1 C=COC(=O)C CNP0003526.0 [1,1,0,0,0,0|0,0,2]=4 496 B5R0.1 C=COC(C)C CNP0491165.0 [1,1,0,0,0,0|1,0,0]=3 497 B5R0.1 CC(=CC=O)C CNP0325416.0 [1,1,0,0,0,0|0,0,2]=4 498 B5R0.1 CC(=O)CCO CNP0251527.0 [1,1,0,0,0,0|1,0,0]=3 499 B5R0.1 CC(=O)CCS CNP0404753.0 [1,1,0,0,0,0|1,0,0]=3 500 B5R0.1 CC(=O)OCS CNP0547679.0 [1,1,0,0,0,0|1,0,0]=3 501 B5R0.1 CC(C)C=CO CNP0546358.0 [1,1,0,0,0,0|0,0,2]=4 502 B5R0.1 CC(C)CC#N CNP0003467.0 [1,1,0,0,0,0|1,0,1]=4 503 B5R0.1 CC(C)CC=O CNP0200023.0 [1,1,0,0,0,0|0,0,0]=2 504 B5R0.1 CC(C)CCN CNP0107663.0 [1,1,0,0,0,0|1,0,1]=4 505 B5R0.1 CC(C)CCO CNP0115711.0 [1,1,0,0,0,0|0,0,2]=4 506 B5R0.1 CC(C)CCS CNP0222694.0 [1,1,0,0,0,0|0,1,1]=4 507 B5R0.1 CC(C)CNO CNP0343206.0 [1,1,0,0,0,0|1,0,1]=4 508 B5R0.1 CC(C)N=C=O CNP0495487.0 [1,1,0,0,0,0|1,0,1]=4 509 B5R0.1 CC(C)OC=O CNP0079775.0 [1,1,0,0,0,0|0,0,0]=2 510 B5R0.1 CC(C)ON=N CNP0504626.0 [1,1,0,0,0,0|2,0,0]=4 511 B5R0.1 CC(O)CCS CNP0002409.0 [1,1,0,0,0,0|0,1,1]=4 512 B5R0.1 CC(S)CCS CNP0003105.0 [1,1,0,0,0,0|0,1,1]=4 513 B5R0.1 CC=CC(=O)C CNP0158055.0 [1,1,0,0,0,0|0,0,2]=4 514 B5R0.1 CC=CC(=O)Cl CNP0018733.0 [1,1,0,0,0,0|0,0,2]=4 515 B5R0.1 CC=CC(=O)N CNP0376163.0 [1,1,0,0,0,0|0,0,2]=4 516 B5R0.1 CC=CC(=O)O CNP0379669.0 [1,1,0,0,0,0|0,0,2]=4 517 B5R0.1 CC=CC(=O)S CNP0128183.0 [1,1,0,0,0,0|0,0,2]=4 518 B5R0.1 CC=CC(C)C CNP0513218.0 [1,1,0,0,0,0|1,0,1]=4 519 B5R0.1 CC=CC(C)O CNP0150168.0 [1,1,0,0,0,0|1,0,1]=4 520 B5R0.1 CCC=C(C)C CNP0331653.0 [1,1,0,0,0,0|1,0,1]=4 521 B5R0.1 CCC=C(C)O CNP0225775.0 [1,1,0,0,0,0|0,0,2]=4 522 B5R0.1 CCCC(=O)C CNP0169448.0 [1,1,0,0,0,0|0,0,0]=2 523 B5R0.1 CCCC(=O)N CNP0115101.0 [1,1,0,0,0,0|0,0,0]=2 524 B5R0.1 CCCC(=O)O CNP0259447.0 [1,1,0,0,0,0|0,0,0]=2 525 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [1,1,0,0,0,0|0,0,0]=2 526 B5R0.1 CCCC(C)C CNP0319065.0 [1,1,0,0,0,0|1,0,1]=4 527 B5R0.1 CCCC(C)S CNP0029638.0 [1,1,0,0,0,0|0,1,1]=4 528 B5R0.1 CCCC(O)O CNP0076336.0 [1,1,0,0,0,0|0,0,2]=4 529 B5R0.1 CCCS(=S)O CNP0558357.0 [1,1,0,0,0,0|0,1,1]=4 530 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [1,1,0,0,0,0|0,0,2]=4 531 B5R0.1 CCC[C@H](C)O CNP0287976.2 [1,1,0,0,0,0|0,0,2]=4 532 B5R0.1 CCNC(=O)C CNP0260078.0 [1,1,0,0,0,0|1,0,0]=3 533 B5R0.1 CCNC(=S)N CNP0415621.0 [1,1,0,0,0,0|1,1,0]=4 534 B5R0.1 CCOC(=O)C CNP0322418.0 [1,1,0,0,0,0|0,0,0]=2 535 B5R0.1 CCOC(=O)N CNP0336700.0 [1,1,0,0,0,0|0,0,0]=2 536 B5R0.1 CCOC(=O)O CNP0166515.0 [1,1,0,0,0,0|0,0,0]=2 537 B5R0.1 CCOC(C)C CNP0604172.0 [1,1,0,0,0,0|1,0,1]=4 538 B5R0.1 CCO[13C](=O)C CNP0577601.0 [1,1,0,0,0,0|0,0,0]=2 539 B5R0.1 CCSC(=N)N CNP0528738.0 [1,1,0,0,0,0|1,1,0]=4 540 B5R0.1 CCSC(=O)C CNP0274861.0 [1,1,0,0,0,0|0,1,0]=3 541 B5R0.1 CC[Se]C(=N)N CNP0601350.0 [1,1,0,0,0,0|1,1,0]=4 542 B5R0.1 CNCC(=O)O CNP0307073.0 [1,1,0,0,0,0|1,0,0]=3 543 B5R0.1 CNCC(=O)O CNP0563704.0 [1,1,0,0,0,0|1,0,0]=3 544 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [1,1,0,0,0,0|1,0,0]=3 545 B5R0.1 CNCC(C)C CNP0273998.0 [1,1,0,0,0,0|1,0,1]=4 546 B5R0.1 COCC(=O)C CNP0581024.0 [1,1,0,0,0,0|1,0,0]=3 547 B5R0.1 COCC(=O)O CNP0343219.0 [1,1,0,0,0,0|1,0,0]=3 548 B5R0.1 COCC(C)C CNP0528468.0 [1,1,0,0,0,0|0,0,1]=3 549 B5R0.1 CSCC(=O)C CNP0002513.0 [1,1,0,0,0,0|1,0,0]=3 550 B5R0.1 CSCC(=O)O CNP0447839.0 [1,1,0,0,0,0|1,0,0]=3 551 B5R0.1 CSCC(C)C CNP0405087.0 [1,1,0,0,0,0|0,1,1]=4 552 B5R0.1 C[C@@H](O)CC#N CNP0115714.1 [1,1,0,0,0,0|1,0,1]=4 553 B5R0.1 C[C@@H](O)CC=O CNP0197470.1 [1,1,0,0,0,0|0,0,0]=2 554 B5R0.1 C[C@@H](O)CCO CNP0110972.2 [1,1,0,0,0,0|0,0,2]=4 555 B5R0.1 C[C@H](O)CCO CNP0110972.1 [1,1,0,0,0,0|0,0,2]=4 556 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [1,1,0,0,0,0|1,0,0]=3 557 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [1,1,0,0,0,0|1,0,0]=3 558 B5R0.1 N#CCC(=O)N CNP0086390.0 [1,1,0,0,0,0|1,0,1]=4 559 B5R0.1 N#CCC(=O)O CNP0269115.0 [1,1,0,0,0,0|1,0,1]=4 560 B5R0.1 NCCC(=O)O CNP0226336.0 [1,1,0,0,0,0|1,0,0]=3 561 B5R0.1 NCCP(=O)O CNP0498602.0 [1,1,0,0,0,0|2,0,0]=4 562 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [1,1,0,0,0,0|1,1,0]=4 563 B5R0.1 NCC[S@](=O)O CNP0211926.1 [1,1,0,0,0,0|1,1,0]=4 564 B5R0.1 NCNC(=O)N CNP0046326.0 [1,1,0,0,0,0|2,0,0]=4 565 B5R0.1 NOCC(=O)O CNP0293826.0 [1,1,0,0,0,0|2,0,0]=4 566 B5R0.1 O=C(O)CCO CNP0228379.0 [1,1,0,0,0,0|1,0,0]=3 567 B5R0.1 O=C(O)CCS CNP0097385.0 [1,1,0,0,0,0|1,0,0]=3 568 B5R0.1 O=C(O)CNO CNP0316873.0 [1,1,0,0,0,0|2,0,0]=4 569 B5R0.1 O=CCC(=O)O CNP0149091.0 [1,1,0,0,0,0|1,0,1]=4 570 B5R0.1 O=[N+]([O-])CCO CNP0479078.0 [1,1,0,0,0,0|2,0,0]=4 571 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [1,1,0,0,0,0|1,0,1]=4 572 B5R0.3 C=C(C=O)CC CNP0542605.0 [1,1,0,0,0,0|0,0,1]=3 573 B5R0.3 C=CC(=O)CC CNP0362181.0 [1,1,0,0,0,0|1,0,1]=4 574 B5R0.3 C=C[C@@H](O)CC CNP0331558.1 [1,1,0,0,0,0|1,0,0]=3 575 B5R0.3 C=C[C@H](C)CO CNP0600503.1 [1,1,0,0,0,0|2,0,0]=4 576 B5R0.3 C=C[C@H](O)CC CNP0331558.2 [1,1,0,0,0,0|1,0,0]=3 577 B5R0.3 CC=C(C)C=O CNP0281160.0 [1,1,0,0,0,0|0,0,2]=4 578 B5R0.3 CC=C(C)CC CNP0247687.0 [1,1,0,0,0,0|1,0,1]=4 579 B5R0.3 CCC(=CS)C CNP0025997.0 [1,1,0,0,0,0|0,1,1]=4 580 B5R0.3 CCC(=O)C=O CNP0301331.0 [1,1,0,0,0,0|0,0,1]=3 581 B5R0.3 CCC(=O)OC CNP0166631.0 [1,1,0,0,0,0|0,0,2]=4 582 B5R0.3 CCC(C)CC CNP0316485.0 [1,1,0,0,0,0|1,0,1]=4 583 B5R0.3 CCC(C)CS CNP0003009.0 [1,1,0,0,0,0|0,1,1]=4 584 B5R0.3 CCC(N)CC CNP0103985.0 [1,1,0,0,0,0|1,0,1]=4 585 B5R0.3 CCC(N)NC CNP0278870.0 [1,1,0,0,0,0|1,0,1]=4 586 B5R0.3 CCC(O)CC CNP0293075.0 [1,1,0,0,0,0|1,0,1]=4 587 B5R0.3 CCC(O)CCl CNP0366953.0 [1,1,0,0,0,0|1,0,1]=4 588 B5R0.3 CCC(O)CO CNP0534149.0 [1,1,0,0,0,0|0,0,2]=4 589 B5R0.3 CCC(S)CS CNP0197461.0 [1,1,0,0,0,0|0,1,1]=4 590 B5R0.3 CCC(S)SC CNP0609154.0 [1,1,0,0,0,0|0,1,1]=4 591 B5R0.3 CC[C@@H](C)C=O CNP0220551.2 [1,1,0,0,0,0|0,0,0]=2 592 B5R0.3 CC[C@@H](C)CO CNP0185673.1 [1,1,0,0,0,0|0,0,2]=4 593 B5R0.3 CC[C@H](C)C#N CNP0343114.1 [1,1,0,0,0,0|1,0,1]=4 594 B5R0.3 CC[C@H](C)C=O CNP0220551.1 [1,1,0,0,0,0|0,0,0]=2 595 B5R0.3 CC[C@H](C)CN CNP0233909.1 [1,1,0,0,0,0|1,0,1]=4 596 B5R0.3 CC[C@H](C)CO CNP0185673.2 [1,1,0,0,0,0|0,0,2]=4 597 B5R0.3 CC[C@H](C)NC CNP0236959.1 [1,1,0,0,0,0|1,0,1]=4 598 B5R0.3 CN(C=O)CO CNP0412364.0 [1,1,0,0,0,0|2,0,0]=4 599 B5R0.3 COC(C)CO CNP0485411.0 [1,1,0,0,0,0|1,0,1]=4 600 B5R0.3 COC(C)OC CNP0122626.0 [1,1,0,0,0,0|1,0,1]=4 601 B5R0.3 O=CC(O)C=O CNP0083225.0 [1,1,0,0,0,0|1,0,1]=4 602 B5R0.3 O=C[C@H](O)CO CNP0359959.1 [1,1,0,0,0,0|1,0,0]=3 603 B7R0.2 C=CC(C)CC(C)C CNP0104195.0 [0,2,0,0,0,0|2,0,0]=4 604 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,2,0,0,0,0|1,0,1]=4 605 B7R0.2 CC(=O)OC(C)C#N CNP0194658.0 [0,2,0,0,0,0|1,0,1]=4 606 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.2 CC(C)CC(N)C=O CNP0502927.0 [0,2,0,0,0,0|1,0,0]=3 608 B7R0.2 CC(C)CC(N)C=O CNP0510216.0 [0,2,0,0,0,0|1,0,0]=3 609 B7R0.2 CC(C)CC(N)C=O CNP0549122.0 [0,2,0,0,0,0|1,0,0]=3 610 B7R0.2 CC(C)CC(N)C=O CNP0579101.0 [0,2,0,0,0,0|1,0,0]=3 611 B7R0.2 CC(C)CC(N)C=O CNP0579301.0 [0,2,0,0,0,0|1,0,0]=3 612 B7R0.2 CC(C)CC(N)C=O CNP0595026.0 [0,2,0,0,0,0|1,0,0]=3 613 B7R0.2 CC(C)C[C@H](C)C=O CNP0563358.1 [0,2,0,0,0,0|1,0,0]=3 614 B7R0.2 CC(CO)CC(=O)O CNP0350905.0 [0,2,0,0,0,0|2,0,0]=4 615 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,2,0,0,0,0|1,0,1]=4 616 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [0,2,0,0,0,0|1,0,1]=4 617 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [0,2,0,0,0,0|1,0,1]=4 618 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [0,2,0,0,0,0|1,0,1]=4 619 B7R0.2 CCC(C)CC(=O)C CNP0555982.0 [0,2,0,0,0,0|1,0,0]=3 620 B7R0.2 CC[C@@H](C)CC(=O)O CNP0258429.2 [0,2,0,0,0,0|1,0,0]=3 621 B7R0.2 CC[C@@H](C)OC(=O)C CNP0076550.2 [0,2,0,0,0,0|0,0,0]=2 622 B7R0.2 CC[C@H](C)CC(=O)Cl CNP0111918.1 [0,2,0,0,0,0|1,0,0]=3 623 B7R0.2 CC[C@H](C)CC(=O)N CNP0105662.1 [0,2,0,0,0,0|1,0,0]=3 624 B7R0.2 CC[C@H](C)CC(=O)O CNP0258429.1 [0,2,0,0,0,0|1,0,0]=3 625 B7R0.2 CC[C@H](C)NC(=N)S CNP0609369.1 [0,2,0,0,0,0|1,1,0]=4 626 B7R0.2 CC[C@H](C)NC(=S)N CNP0206786.1 [0,2,0,0,0,0|1,1,0]=4 627 B7R0.2 CC[C@H](C)OC(=O)C CNP0076550.1 [0,2,0,0,0,0|0,0,0]=2 628 B7R0.2 CC[C@H](O)CC(=O)N CNP0018371.1 [0,2,0,0,0,0|1,0,0]=3 629 B7R0.2 CC[C@H](O)CC(=O)O CNP0308552.1 [0,2,0,0,0,0|1,0,0]=3 630 B7R0.2 CC[C@H](O)C[N+](=O)[O-] CNP0493825.1 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.2 C[C@@H](O)C[C@H](N)C=O CNP0116023.1 [0,2,0,0,0,0|1,0,0]=3 632 B7R0.2 C[C@H](O)C[C@H](N)C=O CNP0116023.2 [0,2,0,0,0,0|1,0,0]=3 633 B7R0.2 NC[C@@H](N)CC(=O)O CNP0190172.1 [0,2,0,0,0,0|2,0,0]=4 634 B7R0.2 NC[C@@H](O)CC(=O)O CNP0335183.1 [0,2,0,0,0,0|2,0,0]=4 635 B7R0.2 NC[C@H](N)CC(=O)O CNP0190172.2 [0,2,0,0,0,0|2,0,0]=4 636 B7R0.2 NC[C@H](O)CC(=O)O CNP0335183.2 [0,2,0,0,0,0|2,0,0]=4 637 B7R0.2 N[C@@H](CS)CC(=O)O CNP0534853.1 [0,2,0,0,0,0|2,0,0]=4 638 B7R0.2 N[C@H](CO)CC(=O)O CNP0415784.1 [0,2,0,0,0,0|2,0,0]=4 639 B7R0.2 O=C(O)C[C@H](O)CO CNP0269358.1 [0,2,0,0,0,0|2,0,0]=4 640 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [0,2,0,0,0,0|1,0,0]=3 641 B7R0.3 C=C(CC)CCCC CNP0084703.0 [0,2,0,0,0,0|2,0,0]=4 642 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [0,2,0,0,0,0|2,0,0]=4 643 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [0,2,0,0,0,0|1,0,0]=3 644 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.3 C=CC(C)CCCC CNP0354372.0 [0,2,0,0,0,0|2,0,0]=4 646 B7R0.3 C=CC(Cl)CCCC CNP0275370.0 [0,2,0,0,0,0|2,0,0]=4 647 B7R0.3 C=CCC[C@@H](Br)CBr CNP0342549.2 [0,2,0,0,0,0|2,0,0]=4 648 B7R0.3 C=CCC[C@H](Br)CBr CNP0342549.1 [0,2,0,0,0,0|2,0,0]=4 649 B7R0.3 C=C[C@H](O)CCCC CNP0076908.1 [0,2,0,0,0,0|2,0,0]=4 650 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,2,0,0,0,0|1,0,1]=4 651 B7R0.3 CCC(=O)CCSC CNP0003468.0 [0,2,0,0,0,0|2,0,0]=4 652 B7R0.3 CCC(=O)OCCO CNP0095595.0 [0,2,0,0,0,0|1,0,0]=3 653 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [0,2,0,0,0,0|1,0,1]=4 654 B7R0.3 CCCC=C(C)CC CNP0263169.0 [0,2,0,0,0,0|2,0,0]=4 655 B7R0.3 CCCCC(=O)CC CNP0286726.0 [0,2,0,0,0,0|1,0,0]=3 656 B7R0.3 CCCCC(=O)OC CNP0184855.0 [0,2,0,0,0,0|1,0,0]=3 657 B7R0.3 CCCC[C@@H](C)C=O CNP0315338.1 [0,2,0,0,0,0|1,0,0]=3 658 B7R0.3 CCCC[C@H](N)C=O CNP0526620.1 [0,2,0,0,0,0|1,0,0]=3 659 B7R0.3 CCCNC(=S)NN CNP0494468.0 [0,2,0,0,0,0|1,1,0]=4 660 B7R0.3 CCCOC(=O)CC CNP0296678.0 [0,2,0,0,0,0|0,0,0]=2 661 B7R0.3 CCOCC(=O)OC CNP0306071.0 [0,2,0,0,0,0|2,0,0]=4 662 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [0,2,0,0,0,0|2,0,0]=4 663 B7R0.3 CC[C@@H](C)/N=C/C=S CNP0247636.1 [0,2,0,0,0,0|1,1,0]=4 664 B7R0.3 CC[C@@H](C)/[NH+]=C/C=S CNP0564255.1 [0,2,0,0,0,0|1,1,0]=4 665 B7R0.3 CC[C@@H](O)/C=C\CO CNP0000045.1 [0,2,0,0,0,0|1,0,1]=4 666 B7R0.3 COC(=O)CCC=O CNP0246367.0 [0,2,0,0,0,0|1,0,1]=4 667 B7R0.3 COC(=O)CCSC CNP0302353.0 [0,2,0,0,0,0|2,0,0]=4 668 B7R0.3 NC(C=O)CCC=O CNP0504605.0 [0,2,0,0,0,0|1,0,1]=4 669 B7R0.3 NC[C@@H](O)CC=C=O CNP0374257.1 [0,2,0,0,0,0|1,0,1]=4 670 B7R0.5 C=C(C)C(C)CCC CNP0602061.0 [0,2,0,0,0,0|2,0,0]=4 671 B7R0.5 C=C(CCN)C(=O)O CNP0291146.0 [0,2,0,0,0,0|2,0,0]=4 672 B7R0.5 C=C(CCO)C(=O)O CNP0185726.0 [0,2,0,0,0,0|2,0,0]=4 673 B7R0.5 C=CCC(C)C(C)C CNP0601967.0 [0,2,0,0,0,0|2,0,0]=4 674 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [0,2,0,0,0,0|2,0,0]=4 675 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,2,0,0,0,0|1,0,1]=4 676 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [0,2,0,0,0,0|1,0,0]=3 677 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [0,2,0,0,0,0|1,0,0]=3 678 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [0,2,0,0,0,0|1,0,0]=3 679 B7R0.5 CCCC(C)C(=O)C CNP0145602.0 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.5 CCC[C@@H](C)C(=O)Cl CNP0181182.1 [0,2,0,0,0,0|1,0,0]=3 681 B7R0.5 CCC[C@@H](C)C(=O)N CNP0263004.1 [0,2,0,0,0,0|1,0,0]=3 682 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [0,2,0,0,0,0|1,0,0]=3 683 B7R0.5 CCC[C@@H](N)C(=O)O CNP0198245.2 [0,2,0,0,0,0|1,0,0]=3 684 B7R0.5 CCC[C@@H](O)C(=O)C CNP0171062.1 [0,2,0,0,0,0|1,0,0]=3 685 B7R0.5 CCC[C@H](C)C(=O)Cl CNP0181182.2 [0,2,0,0,0,0|1,0,0]=3 686 B7R0.5 CCC[C@H](C)C(=O)N CNP0263004.2 [0,2,0,0,0,0|1,0,0]=3 687 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [0,2,0,0,0,0|1,0,0]=3 688 B7R0.5 CCC[C@H](N)C(=O)N CNP0559533.1 [0,2,0,0,0,0|1,0,0]=3 689 B7R0.5 CCC[C@H](N)C(=O)O CNP0198245.1 [0,2,0,0,0,0|1,0,0]=3 690 B7R0.5 CCC[C@H](O)C(=O)O CNP0107771.1 [0,2,0,0,0,0|1,0,0]=3 691 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [0,2,0,0,0,0|2,0,0]=4 692 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [0,2,0,0,0,0|2,0,0]=4 693 B7R0.5 CNC[C@@H](N)C(=O)O CNP0237559.2 [0,2,0,0,0,0|2,0,0]=4 694 B7R0.5 CNC[C@H](N)C(=O)O CNP0237559.1 [0,2,0,0,0,0|2,0,0]=4 695 B7R0.5 CSC[C@@H](N)C(=O)O CNP0391530.2 [0,2,0,0,0,0|2,0,0]=4 696 B7R0.5 CSC[C@H](N)C(=O)O CNP0391530.1 [0,2,0,0,0,0|2,0,0]=4 697 B7R0.5 C[C@@H](CCN)C(=O)O CNP0117278.1 [0,2,0,0,0,0|2,0,0]=4 698 B7R0.5 C[C@H](CCN)C(=O)O CNP0117278.2 [0,2,0,0,0,0|2,0,0]=4 699 B7R0.5 C[Se]C[C@H](N)C(=O)O CNP0420303.1 [0,2,0,0,0,0|2,0,0]=4 700 B7R0.5 NCC[C@@H](N)C(=O)O CNP0283118.2 [0,2,0,0,0,0|2,0,0]=4 701 B7R0.5 NCC[C@H](N)C(=O)O CNP0283118.1 [0,2,0,0,0,0|2,0,0]=4 702 B7R0.5 N[C@@H](CCO)C(=O)O CNP0287745.2 [0,2,0,0,0,0|2,0,0]=4 703 B7R0.5 N[C@@H](CCS)C(=O)O CNP0193002.1 [0,2,0,0,0,0|2,0,0]=4 704 B7R0.5 N[C@@H](CC[SeH])C(=O)O CNP0083667.1 [0,2,0,0,0,0|2,0,0]=4 705 B7R0.5 N[C@H](CCO)C(=O)O CNP0287745.3 [0,2,0,0,0,0|2,0,0]=4 706 B7R0.5 N[C@H](CCS)C(=O)O CNP0193002.2 [0,2,0,0,0,0|2,0,0]=4 707 B7R0.5 O=C(O)C(=O)CCO CNP0361332.0 [0,2,0,0,0,0|2,0,0]=4 708 B7R0.5 O=C(O)C(O)CCO CNP0218005.0 [0,2,0,0,0,0|2,0,0]=4 709 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [0,2,0,0,0,0|1,0,1]=4 710 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,2,0,0,0,0|2,0,0]=4 711 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,2,0,0,0,0|2,0,0]=4 712 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,2,0,0,0,0|2,0,0]=4 713 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,2,0,0,0,0|2,0,0]=4 714 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,2,0,0,0,0|1,0,1]=4 715 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,2,0,0,0,0|1,0,1]=4 716 B7R0.7 CCCC(C)CC=O CNP0405888.0 [0,2,0,0,0,0|1,0,0]=3 717 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,2,0,0,0,0|1,0,1]=4 718 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,2,0,0,0,0|1,0,1]=4 719 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [0,2,0,0,0,0|2,0,0]=4 720 B7R0.10 CCC(C)C(N)C=O CNP0141097.0 [0,2,0,0,0,0|1,0,0]=3 721 B7R0.10 CCC(S)C(C)C=O CNP0191585.0 [0,2,0,0,0,0|1,0,0]=3 722 B7R0.10 N[C@@H](C=O)[C@@H](O)CO CNP0312963.1 [0,2,0,0,0,0|2,0,0]=4 723 B7R0.10 O=C[C@H](O)[C@H](O)CO CNP0166180.1 [0,2,0,0,0,0|2,0,0]=4 724 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [0,2,0,0,0,0|1,0,1]=4 725 B7R0.12 C=CCC(CC)CC CNP0564971.0 [0,2,0,0,0,0|2,0,0]=4 726 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [0,2,0,0,0,0|2,0,0]=4 727 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [0,2,0,0,0,0|2,0,0]=4 728 B7R0.12 O=CN[C@H](C=O)CS CNP0344446.1 [0,2,0,0,0,0|2,0,0]=4 729 B7R0.12 O=COC(CO)CO CNP0272402.0 [0,2,0,0,0,0|1,0,0]=3 730 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,2,0,0,0,0|2,0,0]=4 731 B7R0.4 C=C(O)CCCCC CNP0475201.0 [0,2,0,0,0,0|1,0,1]=4 732 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [0,2,0,0,0,0|1,0,1]=4 733 B7R0.4 C=CCCCC(C)C CNP0359236.0 [0,2,0,0,0,0|2,0,0]=4 734 B7R0.4 CC(=CCOC=O)C CNP0041956.0 [0,2,0,0,0,0|0,0,1]=3 735 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [0,2,0,0,0,0|1,0,0]=3 736 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [0,2,0,0,0,0|1,0,1]=4 737 B7R0.4 CC(=O)OCCCS CNP0325111.0 [0,2,0,0,0,0|0,0,0]=2 738 B7R0.4 CC(C)CCNC=O CNP0473179.0 [0,2,0,0,0,0|1,0,0]=3 739 B7R0.4 CC(C)CCOC=O CNP0324042.0 [0,2,0,0,0,0|0,0,0]=2 740 B7R0.4 CC(C)CCON=O CNP0341686.0 [0,2,0,0,0,0|1,0,0]=3 741 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [0,2,0,0,0,0|2,0,0]=4 742 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [0,2,0,0,0,0|2,0,0]=4 743 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [0,2,0,0,0,0|2,0,0]=4 744 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [0,2,0,0,0,0|1,0,1]=4 745 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,2,0,0,0,0|1,0,1]=4 746 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [0,2,0,0,0,0|1,0,1]=4 747 B7R0.4 CCC=NNC(=O)N CNP0040516.0 [0,2,0,0,0,0|1,0,1]=4 748 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,2,0,0,0,0|1,0,0]=3 749 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [0,2,0,0,0,0|1,0,0]=3 750 B7R0.4 CCCCCC(=O)C CNP0240774.0 [0,2,0,0,0,0|1,0,0]=3 751 B7R0.4 CCCCCC(=O)N CNP0077222.0 [0,2,0,0,0,0|1,0,0]=3 752 B7R0.4 CCCCCC(=O)O CNP0210437.0 [0,2,0,0,0,0|1,0,0]=3 753 B7R0.4 CCCCCC(=S)O CNP0092443.0 [0,2,0,0,0,0|1,0,1]=4 754 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [0,2,0,0,0,0|1,0,0]=3 755 B7R0.4 CCCCNC(=S)N CNP0137764.0 [0,2,0,0,0,0|1,1,0]=4 756 B7R0.4 CCCCOC(=O)C CNP0158571.0 [0,2,0,0,0,0|0,0,0]=2 757 B7R0.4 CCCSOC(=O)C CNP0411356.0 [0,2,0,0,0,0|0,0,0]=2 758 B7R0.4 CCNCNC(=O)N CNP0182596.0 [0,2,0,0,0,0|1,0,0]=3 759 B7R0.4 CCOCC=C(C)C CNP0002719.0 [0,2,0,0,0,0|2,0,0]=4 760 B7R0.4 CCOCCC(=O)C CNP0086134.0 [0,2,0,0,0,0|1,0,0]=3 761 B7R0.4 CCOCCC(=O)O CNP0566237.0 [0,2,0,0,0,0|1,0,0]=3 762 B7R0.4 CCOCCC(C)C CNP0032749.0 [0,2,0,0,0,0|1,0,1]=4 763 B7R0.4 CNCCCC(=O)O CNP0216187.0 [0,2,0,0,0,0|1,0,0]=3 764 B7R0.4 COCCCC(=O)C CNP0580201.0 [0,2,0,0,0,0|1,0,0]=3 765 B7R0.4 COCCOC(=O)C CNP0278807.0 [0,2,0,0,0,0|0,0,0]=2 766 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [0,2,0,0,0,0|1,0,1]=4 767 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [0,2,0,0,0,0|1,0,1]=4 768 B7R0.4 N=C(N)NCCCO CNP0451152.0 [0,2,0,0,0,0|2,0,0]=4 769 B7R0.4 NC(=O)COCCO CNP0488363.0 [0,2,0,0,0,0|1,0,0]=3 770 B7R0.4 NCCCCC(=O)N CNP0001733.0 [0,2,0,0,0,0|1,0,0]=3 771 B7R0.4 NCCCCC(=O)O CNP0167970.0 [0,2,0,0,0,0|1,0,0]=3 772 B7R0.4 NCCNCC(=O)O CNP0461877.0 [0,2,0,0,0,0|2,0,0]=4 773 B7R0.4 O=C(O)CCCCO CNP0601188.0 [0,2,0,0,0,0|1,0,0]=3 774 B7R0.4 O=C(O)CNCCO CNP0333030.0 [0,2,0,0,0,0|2,0,0]=4 775 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [0,2,0,0,0,0|1,0,1]=4 776 B7R0.4 O=P(=O)OCCCO CNP0547512.0 [0,2,0,0,0,0|1,0,0]=3 777 B7R0.4 O=[N+]([O-])OCCCBr CNP0600488.0 [0,2,0,0,0,0|1,0,0]=3 778 B7R0.6 C=C(C)CCC(=O)C CNP0003362.0 [0,2,0,0,0,0|1,0,1]=4 779 B7R0.6 CC(=O)C=CC(C)C CNP0282647.0 [0,2,0,0,0,0|1,0,1]=4 780 B7R0.6 CC(=O)CCC(=O)C CNP0291926.0 [0,2,0,0,0,0|1,0,1]=4 781 B7R0.6 CC(=O)CCC(=O)O CNP0267906.0 [0,2,0,0,0,0|1,0,1]=4 782 B7R0.6 CC(=O)CCC(=O)[O-] CNP0515624.0 [0,2,0,0,0,0|1,0,1]=4 783 B7R0.6 CC(=O)CCC(=O)[O-] CNP0577778.0 [0,2,0,0,0,0|1,0,1]=4 784 B7R0.6 CC(=O)CCC(C)C CNP0109911.0 [0,2,0,0,0,0|1,0,0]=3 785 B7R0.6 CC(=O)COC(=O)C CNP0316161.0 [0,2,0,0,0,0|0,0,1]=3 786 B7R0.6 CC(=O)COC(C)C CNP0500658.0 [0,2,0,0,0,0|2,0,0]=4 787 B7R0.6 CC(=O)NCC(C)C CNP0330824.0 [0,2,0,0,0,0|1,0,0]=3 788 B7R0.6 CC(=O)NOC(=O)C CNP0050805.0 [0,2,0,0,0,0|1,0,1]=4 789 B7R0.6 CC(=O)OCC(C)C CNP0233943.0 [0,2,0,0,0,0|0,0,0]=2 790 B7R0.6 CC(=O)OOC(=O)C CNP0196667.0 [0,2,0,0,0,0|1,0,1]=4 791 B7R0.6 CC(C)C=CC(=O)Cl CNP0373188.0 [0,2,0,0,0,0|1,0,1]=4 792 B7R0.6 CC(C)C=CC(=O)O CNP0205254.0 [0,2,0,0,0,0|1,0,1]=4 793 B7R0.6 CC(C)CCC(=O)Cl CNP0308408.0 [0,2,0,0,0,0|1,0,0]=3 794 B7R0.6 CC(C)CCC(=O)N CNP0148296.0 [0,2,0,0,0,0|1,0,0]=3 795 B7R0.6 CC(C)CCC(=O)O CNP0414918.0 [0,2,0,0,0,0|1,0,0]=3 796 B7R0.6 CC(O)COC(C)C CNP0503370.0 [0,2,0,0,0,0|1,0,1]=4 797 B7R0.6 CS(C)CCC(=O)O CNP0168459.0 [0,2,0,0,0,0|2,0,0]=4 798 B7R0.6 C[C@H](O)CCC(=O)O CNP0154959.1 [0,2,0,0,0,0|1,0,0]=3 799 B7R0.6 C[NH+](C)CCC(=O)[O-] CNP0361663.0 [0,2,0,0,0,0|2,0,0]=4 800 B7R0.6 C[S+](C)CCC(=O)O CNP0349807.0 [0,2,0,0,0,0|2,0,0]=4 801 B7R0.6 C[S+](C)CCC(=O)O CNP0550706.0 [0,2,0,0,0,0|2,0,0]=4 802 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0152869.0 [0,2,0,0,0,0|2,0,0]=4 803 B7R0.6 C[S+](C)CCC(=O)[O-] CNP0540473.0 [0,2,0,0,0,0|2,0,0]=4 804 B7R0.6 C[S@+]([O-])CCC(=O)O CNP0497394.1 [0,2,0,0,0,0|2,0,0]=4 805 B7R0.6 C[S](C)CCC(=O)O CNP0603322.0 [0,2,0,0,0,0|2,0,0]=4 806 B7R0.8 CC(C)(C)C#CC=O CNP0610546.0 [0,2,0,0,0,0|1,0,1]=4 807 B7R0.8 CC(C)(C)C=CC=O CNP0514771.0 [0,2,0,0,0,0|1,0,1]=4 808 B7R0.8 CCCCP(=O)(O)O CNP0469610.0 [0,2,0,0,0,0|2,0,0]=4 809 B7R0.8 CCCCS(=O)(=S)O CNP0594789.0 [0,2,0,0,0,0|2,0,0]=4 810 B7R0.8 CCCOS(=O)(=S)O CNP0528794.0 [0,2,0,0,0,0|1,0,0]=3 811 B7R0.8 CCCO[As](=O)(C)C CNP0175825.0 [0,2,0,0,0,0|1,0,0]=3 812 B7R0.8 CCCSS(=O)(=O)O CNP0002442.0 [0,2,0,0,0,0|1,1,0]=4 813 B7R0.8 NCCOP(=O)(O)O CNP0179004.0 [0,2,0,0,0,0|2,0,0]=4 814 B7R0.8 NCCOS(=O)(=O)O CNP0107858.0 [0,2,0,0,0,0|2,0,0]=4 815 B7R0.8 O=P(O)(O)OCCO CNP0082124.0 [0,2,0,0,0,0|2,0,0]=4 816 B7R0.1 C#CC=CCCCC CNP0076122.0 [0,2,0,0,0,0|2,0,0]=4 817 B7R0.1 C=CC=CCCCC CNP0084214.0 [0,2,0,0,0,0|2,0,0]=4 818 B7R0.1 C=CCCCC=CC CNP0076717.0 [0,2,0,0,0,0|2,0,0]=4 819 B7R0.1 C=CCCCCC=C CNP0118215.0 [0,2,0,0,0,0|2,0,0]=4 820 B7R0.1 C=CCCCCCC CNP0246919.0 [0,2,0,0,0,0|2,0,0]=4 821 B7R0.1 C=CCCCCCO CNP0075956.0 [0,2,0,0,0,0|2,0,0]=4 822 B7R0.1 C=CCSSCCC CNP0170059.0 [0,2,0,0,0,0|1,1,0]=4 823 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,2,0,0,0,0|2,0,0]=4 824 B7R0.1 CC=CCCC=CC CNP0082120.0 [0,2,0,0,0,0|2,0,0]=4 825 B7R0.1 CC=CCCCCC CNP0199237.0 [0,2,0,0,0,0|2,0,0]=4 826 B7R0.1 CC=CCSCCC CNP0536250.0 [0,2,0,0,0,0|1,1,0]=4 827 B7R0.1 CC=CSSCCC CNP0421889.0 [0,2,0,0,0,0|1,1,0]=4 828 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,2,0,0,0,0|1,0,1]=4 829 B7R0.1 CCC=CCCC=O CNP0265888.0 [0,2,0,0,0,0|1,0,0]=3 830 B7R0.1 CCC=CCCCC CNP0084702.0 [0,2,0,0,0,0|2,0,0]=4 831 B7R0.1 CCC=CCCCO CNP0003503.0 [0,2,0,0,0,0|2,0,0]=4 832 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,2,0,0,0,0|1,0,1]=4 833 B7R0.1 CCCC=CCC=O CNP0201799.0 [0,2,0,0,0,0|1,0,0]=3 834 B7R0.1 CCCC=CCCC CNP0541880.0 [0,2,0,0,0,0|2,0,0]=4 835 B7R0.1 CCCC=CCCO CNP0287313.0 [0,2,0,0,0,0|1,0,1]=4 836 B7R0.1 CCCCC=CC=O CNP0210810.0 [0,2,0,0,0,0|1,0,0]=3 837 B7R0.1 CCCCC=CCO CNP0191159.0 [0,2,0,0,0,0|1,0,1]=4 838 B7R0.1 CCCCCCC=O CNP0243745.0 [0,2,0,0,0,0|1,0,0]=3 839 B7R0.1 CCCCCOC=O CNP0294368.0 [0,2,0,0,0,0|0,0,0]=2 840 B7R0.1 CCCCCOCC CNP0520137.0 [0,2,0,0,0,0|1,0,1]=4 841 B7R0.1 CCCCCON=O CNP0511882.0 [0,2,0,0,0,0|1,0,0]=3 842 B7R0.1 CCCCN=CC=S CNP0423600.0 [0,2,0,0,0,0|1,1,0]=4 843 B7R0.1 CCCCOCCO CNP0080154.0 [0,2,0,0,0,0|0,0,2]=4 844 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [0,2,0,0,0,0|1,1,0]=4 845 B7R0.1 COCCOCCO CNP0610336.0 [0,2,0,0,0,0|0,0,2]=4 846 B7R0.1 CSCCCC=NO CNP0610383.0 [0,2,0,0,0,0|1,0,1]=4 847 B5R1.1 C1=CCCC1 CNP0534738.0 [1,0,0,1,0,0|1,0,0]=3 848 B5R1.1 C1=CCOC1 CNP0579994.0 [1,0,0,1,0,0|2,0,0]=4 849 B5R1.1 C1=CNCC1 CNP0527065.0 [1,0,0,1,0,0|1,0,1]=4 850 B5R1.1 C1=COCC1 CNP0540644.0 [1,0,0,1,0,0|0,0,1]=3 851 B5R1.1 C1=CSCC1 CNP0496655.0 [1,0,0,1,0,0|0,1,1]=4 852 B5R1.1 C1=NCCC1 CNP0581055.0 [1,0,0,1,0,0|1,0,0]=3 853 B5R1.1 C1=PCCC1 CNP0609027.0 [1,0,0,1,0,0|1,0,0]=3 854 B5R1.1 C1CCCC1 CNP0566364.0 [1,0,0,1,0,0|1,0,1]=4 855 B5R1.1 C1CCNC1 CNP0572990.0 [1,0,0,1,0,0|1,0,1]=4 856 B5R1.1 C1CCOC1 CNP0507941.0 [1,0,0,1,0,0|0,0,1]=3 857 B5R1.1 C1CCPC1 CNP0598418.0 [1,0,0,1,0,0|1,0,1]=4 858 B5R1.1 C1CCSC1 CNP0569262.0 [1,0,0,1,0,0|0,1,1]=4 859 B5R1.1 C1COCO1 CNP0568859.0 [1,0,0,1,0,0|0,0,2]=4 860 B5R1.1 C1CSSC1 CNP0501166.0 [1,0,0,1,0,0|0,2,0]=4 861 B5R1.2 CC1CCC1 CNP0546383.0 [1,0,0,1,0,0|1,0,1]=4 862 B5R1.2 NC1CCC1 CNP0609061.0 [1,0,0,1,0,0|1,0,1]=4 863 B5R1.2 O=C1CCO1 CNP0555602.0 [1,0,0,1,0,0|0,0,0]=2 864 B5R1.2 OC1CCC1 CNP0562500.0 [1,0,0,1,0,0|0,0,2]=4 865 B5R1.2 [O-][S+]1CCC1 CNP0520919.0 [1,0,0,1,0,0|0,1,1]=4 866 B5R1.3 CC=C1CC1 CNP0594561.0 [1,0,0,1,0,0|1,0,1]=4 867 B5R1.3 ClC[C@@H]1CO1 CNP0569559.2 [1,0,0,1,0,0|1,0,1]=4 868 B5R1.3 ClC[C@H]1CO1 CNP0569559.1 [1,0,0,1,0,0|1,0,1]=4 869 B5R1.3 OCC1CC1 CNP0604045.0 [1,0,0,1,0,0|0,0,2]=4 870 B5R1.3 OCC1CO1 CNP0517243.0 [1,0,0,1,0,0|1,0,1]=4 871 B5R1.4 CC1OC1C CNP0609093.0 [1,0,0,1,0,0|1,0,1]=4 872 B7R1.1 C=CC1OCCO1 CNP0206238.0 [0,1,0,1,0,0|2,0,0]=4 873 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [0,1,0,1,0,0|1,0,1]=4 874 B7R1.1 CCC1=CCCC1 CNP0080677.0 [0,1,0,1,0,0|2,0,0]=4 875 B7R1.1 CCC1=COC=C1 CNP0136418.0 [0,1,0,1,0,0|1,0,1]=4 876 B7R1.1 CCC1OCCO1 CNP0566823.0 [0,1,0,1,0,0|0,0,2]=4 877 B7R1.1 O=CN1CCCC1 CNP0081536.0 [0,1,0,1,0,0|1,0,0]=3 878 B7R1.1 O=NN1CCCC1 CNP0169288.0 [0,1,0,1,0,0|2,0,0]=4 879 B7R1.1 O=NN1CCSC1 CNP0462467.0 [0,1,0,1,0,0|2,0,0]=4 880 B7R1.1 OC[C@@H]1CCCO1 CNP0262830.1 [0,1,0,1,0,0|0,0,2]=4 881 B7R1.1 OC[C@H]1CCCO1 CNP0262830.2 [0,1,0,1,0,0|0,0,2]=4 882 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,1,0,1,0,0|1,0,1]=4 883 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,1,0,1,0,0|0,0,1]=3 884 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,1,0,1,0,0|0,0,2]=4 885 B7R1.2 CC1=NC(CN1)C CNP0564639.0 [0,1,0,1,0,0|2,0,0]=4 886 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,1,0,1,0,0|2,0,0]=4 887 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [0,1,0,1,0,0|1,0,1]=4 888 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,1,0,1,0,0|0,0,2]=4 889 B7R1.2 CC1CC(=CS1)S CNP0301304.0 [0,1,0,1,0,0|1,1,0]=4 890 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [0,1,0,1,0,0|1,0,0]=3 891 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [0,1,0,1,0,0|0,1,0]=3 892 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [0,1,0,1,0,0|1,0,0]=3 893 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [0,1,0,1,0,0|0,0,0]=2 894 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [0,1,0,1,0,0|0,0,0]=2 895 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [0,1,0,1,0,0|1,0,1]=4 896 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [0,1,0,1,0,0|0,0,0]=2 897 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [0,1,0,1,0,0|0,0,0]=2 898 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [0,1,0,1,0,0|0,0,0]=2 899 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [0,1,0,1,0,0|0,1,0]=3 900 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [0,1,0,1,0,0|0,0,2]=4 901 B7R1.2 O=C1C=CC(C1)O CNP0594515.0 [0,1,0,1,0,0|1,0,1]=4 902 B7R1.2 O=C1CCC(=N1)O CNP0237840.0 [0,1,0,1,0,0|1,0,1]=4 903 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [0,1,0,1,0,0|1,0,1]=4 904 B7R1.2 O=C1CCC(=O)N1 CNP0490149.0 [0,1,0,1,0,0|1,0,1]=4 905 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [0,1,0,1,0,0|0,0,1]=3 906 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [0,1,0,1,0,0|1,0,0]=3 907 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [0,1,0,1,0,0|1,0,0]=3 908 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [0,1,0,1,0,0|1,0,0]=3 909 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [0,1,0,1,0,0|0,0,0]=2 910 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [0,1,0,1,0,0|1,0,0]=3 911 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [0,1,0,1,0,0|0,0,0]=2 912 B7R1.2 OC1=NC(CC1)O CNP0547002.0 [0,1,0,1,0,0|1,0,1]=4 913 B7R1.3 C=C1CCCCC1 CNP0312009.0 [0,1,0,1,0,0|2,0,0]=4 914 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [0,1,0,1,0,0|2,0,0]=4 915 B7R1.3 CC1=CCCCC1 CNP0369235.0 [0,1,0,1,0,0|2,0,0]=4 916 B7R1.3 CC1CCCCO1 CNP0292894.0 [0,1,0,1,0,0|1,0,1]=4 917 B7R1.3 CC1CCOCO1 CNP0130543.0 [0,1,0,1,0,0|0,0,2]=4 918 B7R1.3 CN1CCOCC1 CNP0225764.0 [0,1,0,1,0,0|1,0,1]=4 919 B7R1.3 C[C@@H]1CC=CCC1 CNP0110127.1 [0,1,0,1,0,0|2,0,0]=4 920 B7R1.3 C[C@@H]1OCCCS1 CNP0153942.1 [0,1,0,1,0,0|0,1,1]=4 921 B7R1.3 N[C@@H]1CCC=NC1 CNP0491265.1 [0,1,0,1,0,0|2,0,0]=4 922 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [0,1,0,1,0,0|1,0,0]=3 923 B7R1.3 O=C1C=CCCN1 CNP0306654.0 [0,1,0,1,0,0|1,0,1]=4 924 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [0,1,0,1,0,0|1,0,1]=4 925 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [0,1,0,1,0,0|0,0,1]=3 926 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [0,1,0,1,0,0|1,0,0]=3 927 B7R1.3 O=C1CCCCC1 CNP0271526.0 [0,1,0,1,0,0|1,0,0]=3 928 B7R1.3 O=C1CCCCN1 CNP0142808.0 [0,1,0,1,0,0|1,0,0]=3 929 B7R1.3 O=C1CCCCO1 CNP0237404.0 [0,1,0,1,0,0|0,0,0]=2 930 B7R1.3 O=C1CCNCC1 CNP0212699.0 [0,1,0,1,0,0|1,0,0]=3 931 B7R1.3 O=C1COCCN1 CNP0517075.0 [0,1,0,1,0,0|1,0,0]=3 932 B7R1.3 OC1=CCCCC1 CNP0083987.0 [0,1,0,1,0,0|1,0,1]=4 933 B7R1.3 OC1=NCCCC1 CNP0547052.0 [0,1,0,1,0,0|1,0,1]=4 934 B7R1.3 OC1CC=CCC1 CNP0198711.0 [0,1,0,1,0,0|2,0,0]=4 935 B7R1.3 OC1COCOC1 CNP0567932.0 [0,1,0,1,0,0|0,0,2]=4 936 B7R1.3 O[C@@H]1C=CCCC1 CNP0239826.2 [0,1,0,1,0,0|1,0,1]=4 937 B7R1.3 O[C@H]1C=CCCC1 CNP0239826.1 [0,1,0,1,0,0|1,0,1]=4 938 B7R1.3 S=C1NCCCO1 CNP0326797.0 [0,1,0,1,0,0|0,1,0]=3 939 B7R1.4 C=C1CCOC1=O CNP0195400.0 [0,1,0,1,0,0|0,0,1]=3 940 B7R1.4 C=C1COC[C@H]1O CNP0219379.1 [0,1,0,1,0,0|2,0,0]=4 941 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,1,0,1,0,0|2,0,0]=4 942 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [0,1,0,1,0,0|1,0,1]=4 943 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,1,0,1,0,0|1,0,1]=4 944 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,1,0,1,0,0|0,0,1]=3 945 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,1,0,1,0,0|1,0,1]=4 946 B7R1.4 CC1COCC1=O CNP0611227.0 [0,1,0,1,0,0|0,0,0]=2 947 B7R1.4 CC1OCCC1O CNP0002607.0 [0,1,0,1,0,0|1,0,1]=4 948 B7R1.4 CC1OCCC1S CNP0002942.0 [0,1,0,1,0,0|1,0,1]=4 949 B7R1.4 CC1SCCC1=O CNP0395315.0 [0,1,0,1,0,0|1,0,0]=3 950 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,1,0,1,0,0|1,0,1]=4 951 B7R1.4 CN1CCCC1=O CNP0203476.0 [0,1,0,1,0,0|1,0,0]=3 952 B7R1.4 CN1CCOC1=S CNP0208839.0 [0,1,0,1,0,0|0,1,0]=3 953 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [0,1,0,1,0,0|1,0,0]=3 954 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [0,1,0,1,0,0|0,0,0]=2 955 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [0,1,0,1,0,0|1,0,0]=3 956 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [0,1,0,1,0,0|1,0,0]=3 957 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [0,1,0,1,0,0|0,0,0]=2 958 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [0,1,0,1,0,0|1,0,0]=3 959 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [0,1,0,1,0,0|0,0,0]=2 960 B7R1.4 N[C@@H]1CON=C1O CNP0535940.1 [0,1,0,1,0,0|1,0,1]=4 961 B7R1.4 N[C@@H]1CONC1=O CNP0204572.1 [0,1,0,1,0,0|1,0,0]=3 962 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [0,1,0,1,0,0|0,0,0]=2 963 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [0,1,0,1,0,0|0,1,0]=3 964 B7R1.4 N[C@H]1CONC1=O CNP0204572.2 [0,1,0,1,0,0|1,0,0]=3 965 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,1,0,1,0,0|1,0,1]=4 966 B7R1.4 O=C1CCCC1=O CNP0086052.0 [0,1,0,1,0,0|1,0,0]=3 967 B7R1.4 O=C1COCC1S CNP0188638.0 [0,1,0,1,0,0|1,0,0]=3 968 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [0,1,0,1,0,0|1,0,0]=3 969 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,1,0,1,0,0|0,0,2]=4 970 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [0,1,0,1,0,0|1,0,1]=4 971 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [0,1,0,1,0,0|1,0,0]=3 972 B7R1.7 CC=CCN1CC1 CNP0584372.0 [0,1,0,1,0,0|2,0,0]=4 973 B7R1.14 CC1(CC=CO1)O CNP0512442.0 [0,1,0,1,0,0|1,0,1]=4 974 B7R1.14 O=S1(=O)CCCC1 CNP0278305.0 [0,1,0,1,0,0|2,0,0]=4 975 B7R1.17 C[C@]1(CCC1=O)O CNP0198495.1 [0,1,0,1,0,0|1,0,0]=3 976 B7R1.18 CC(=O)C1CCS1 CNP0002501.0 [0,1,0,1,0,0|2,0,0]=4 977 B7R1.18 O=C(O)[C@@H]1CCN1 CNP0146840.1 [0,1,0,1,0,0|2,0,0]=4 978 B7R1.18 O=C(O)[C@H]1CCN1 CNP0146840.2 [0,1,0,1,0,0|2,0,0]=4 979 B7R1.23 CCC1OC1(C)C CNP0495056.0 [0,1,0,1,0,0|1,0,1]=4 980 B7R1.24 C1=CCCCC=C1 CNP0610332.0 [0,1,0,1,0,0|2,0,0]=4 981 B7R1.24 C1COCOCO1 CNP0076298.0 [0,1,0,1,0,0|0,0,2]=4