0 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [0,0,0,0,0,0|0,0,0]=0 1 B11R1.83 CC=CC1=CC=C(C=C1)OC CNP0402035.0 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.83 CC=CC1=CCC(C=C1)OC CNP0609217.0 [0,0,0,0,0,0|0,0,4]=4 3 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [0,0,0,0,0,0|0,0,2]=2 4 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [0,0,0,0,0,0|1,0,1]=2 5 B11R1.83 COC1=CC=C(C=C1)C=NN CNP0396597.0 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.83 COC1=CC=C(C=C1)C=NO CNP0150314.0 [0,0,0,0,0,0|2,0,1]=3 7 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [0,0,0,0,0,0|1,0,0]=1 8 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [0,0,0,0,0,0|1,0,1]=2 9 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [0,0,0,0,0,0|1,0,1]=2 10 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [0,0,0,0,0,0|1,0,1]=2 11 B11R1.83 NOC1=CC=C(C=C1)CC=O CNP0170203.0 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,0,0,0,0,0|0,0,0]=1 13 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,0,0,0,0,0|0,0,0]=1 14 B10R1.1 C=CCC1=CN=C(C=N1)C CNP0002575.0 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.1 CC1=CC=C(C=C1)SC#N CNP0533747.0 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,0,0,0,0,0|0,0,2]=3 19 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,0,0,0,0,0|0,0,2]=3 20 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,0,0,0,0,0|0,0,2]=3 21 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,0,0,0,0,0|1,0,2]=4 22 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,0,0,0,0,0|1,0,2]=4 23 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.1 N#CSC1=CC=C(C=C1)O CNP0157204.0 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [1,0,0,0,0,0|1,0,1]=3 28 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.3 BrCC1=CC=C(C=C1)CBr CNP0025281.0 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.3 C=CC1=CC=C(C=C1)C=C CNP0540510.0 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [1,0,0,0,0,0|1,0,0]=2 37 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [1,0,0,0,0,0|0,0,0]=1 39 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [1,0,0,0,0,0|1,0,1]=3 42 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [1,0,0,0,0,0|0,0,1]=2 43 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [1,0,0,0,0,0|1,0,1]=3 45 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [1,0,0,0,0,0|1,0,0]=2 46 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [1,0,0,0,0,0|1,0,0]=2 47 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [1,0,0,0,0,0|1,0,0]=2 48 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [1,0,0,0,0,0|3,0,0]=4 53 B12R1.4 CCC1=CC=C(C=C1)CC(C)C CNP0076478.0 [0,1,0,0,0,0|1,0,2]=4 54 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C CNP0244471.0 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [0,1,0,0,0,0|0,0,2]=3 56 B12R1.4 COC1=CC=C(C=C1)CC(=O)C CNP0229458.0 [0,1,0,0,0,0|0,0,1]=2 57 B12R1.4 COC1=CC=C(C=C1)CC(=O)N CNP0553405.0 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.4 COC1=CC=C(C=C1)CC(=O)O CNP0125359.0 [0,1,0,0,0,0|1,0,0]=2 59 B12R1.4 COC1=CC=C(C=C1)CN(C)C CNP0165442.0 [0,1,0,0,0,0|1,0,1]=3 60 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [0,1,0,0,0,0|0,0,2]=3 61 B12R1.4 COC1=CC=C(C=C1)NC(=O)C CNP0211997.0 [0,1,0,0,0,0|1,0,1]=3 62 B12R1.4 COC1=CC=C(C=C1)NC(=S)N CNP0409458.0 [0,1,0,0,0,0|2,0,0]=3 63 B12R1.4 COC1=CC=C(C=N1)NC(=O)C CNP0029688.0 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.5 C=C[C@@H](O)C1=CC=C(C=C1)OC CNP0219145.2 [0,1,0,0,0,0|0,0,0]=1 65 B12R1.5 C=C[C@H](O)C1=CC=C(C=C1)OC CNP0219145.1 [0,1,0,0,0,0|0,0,0]=1 66 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC CNP0079982.0 [0,1,0,0,0,0|0,0,3]=4 67 B12R1.5 CCC1=CC=C(C=C1)C(O)CO CNP0357223.0 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,1,0,0,0,0|0,0,2]=3 69 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,1,0,0,0,0|0,0,2]=3 70 B12R1.5 COC(=O)C1=CC=C(C=C1)OC CNP0223742.0 [0,1,0,0,0,0|1,0,2]=4 71 B12R1.5 COC1=CC=C(C=C1)C(=NO)C CNP0105997.0 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.5 COC1=CC=C(C=C1)C(=O)C=O CNP0302922.0 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.5 COC1=CC=C(C=C1)C(=O)CO CNP0302541.0 [0,1,0,0,0,0|1,0,2]=4 74 B12R1.5 COC1=CC=C(C=C1)C(=O)NN CNP0135265.0 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.5 COC1=CC=C(C=C1)C(=O)NO CNP0348259.0 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [0,1,0,0,0,0|1,0,1]=3 77 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [0,1,0,0,0,0|1,0,1]=3 78 B12R1.71 CCC1=CC=C(C=C1)OCOC CNP0037548.0 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.71 CCC=CC1=CC=C(C=C1)OC CNP0297970.0 [0,1,0,0,0,0|0,0,2]=3 80 B12R1.71 CNCCC1=CC=C(C=C1)OC CNP0219456.0 [0,1,0,0,0,0|0,0,2]=3 81 B12R1.71 COC1=CC=C(C=C1)C=CC#N CNP0327482.0 [0,1,0,0,0,0|0,0,2]=3 82 B12R1.71 COC1=CC=C(C=C1)C=CC=O CNP0225036.0 [0,1,0,0,0,0|0,0,1]=2 83 B12R1.71 COC1=CC=C(C=C1)C=CCO CNP0413642.0 [0,1,0,0,0,0|0,0,2]=3 84 B12R1.71 COC1=CC=C(C=C1)CCC#N CNP0264355.0 [0,1,0,0,0,0|0,0,2]=3 85 B12R1.71 COC1=CC=C(C=C1)CN=C=S CNP0188935.0 [0,1,0,0,0,0|1,0,1]=3 86 B12R1.71 COC1=CC=C(C=C1)COC=O CNP0338310.0 [0,1,0,0,0,0|1,0,0]=2 87 B12R1.71 COC1=CC=C(C=C1)C[N+]=C=S CNP0479456.0 [0,1,0,0,0,0|1,0,1]=3 88 B12R1.71 COC=CC1=CC=C(C=C1)OC CNP0081538.0 [0,1,0,0,0,0|0,0,2]=3 89 B12R1.113 CC(C)C1=CC=C(C=C1)CC=O CNP0002405.0 [0,1,0,0,0,0|2,0,0]=3 90 B12R1.113 CC(C)C1=CC=C(C=C1)CCO CNP0101568.0 [0,1,0,0,0,0|2,0,1]=4 91 B12R1.113 CCCC1=CC=C(C=C1)C(C)O CNP0532049.0 [0,1,0,0,0,0|1,0,2]=4 92 B12R1.113 COCC1=CC=C(C=C1)[S@@+](C)[O-] CNP0479913.1 [0,1,0,0,0,0|1,1,1]=4 93 B12R1.114 C=CCC1=CC=C(C=C1O)OC CNP0106128.0 [0,1,0,0,0,0|0,0,0]=1 94 B12R1.114 CC=CC1=CC=C(C=C1O)OC CNP0526472.0 [0,1,0,0,0,0|0,0,2]=3 95 B12R1.114 CCCC1=CC=C(C=C1C)CC CNP0216673.0 [0,1,0,0,0,0|1,0,2]=4 96 B12R1.116 BrCCC1=CC=C(C=C1)CCBr CNP0060250.0 [0,1,0,0,0,0|2,0,1]=4 97 B12R1.116 CCCC1=CC=C(C=C1)C[N+]#N CNP0577325.0 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.116 COCC1=CC=C(C=C1)COC CNP0080194.0 [0,1,0,0,0,0|1,0,1]=3 99 B12R1.116 ClCCC1=CC=C(C=C1)CCCl CNP0402607.0 [0,1,0,0,0,0|2,0,1]=4 100 B12R1.116 ICCC1=CC=C(C=C1)CCI CNP0056277.0 [0,1,0,0,0,0|2,0,1]=4 101 B12R1.116 NCCC1=CC=C(C=C1)CCN CNP0445340.0 [0,1,0,0,0,0|2,0,1]=4 102 B12R1.288 C=CCC1=CC=C(C(=C1)O)OC CNP0181536.0 [0,1,0,0,0,0|0,0,0]=1 103 B12R1.288 CC=CC1=CC=C(C(=C1)O)OC CNP0299210.0 [0,1,0,0,0,0|0,0,2]=3 104 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CNP0214353.0 [0,1,0,0,0,0|0,0,2]=3 105 B12R1.288 COC1=CC=C(C=C1Br)CC#N CNP0197630.0 [0,1,0,0,0,0|1,0,1]=3 106 B12R1.288 COC1=CC=C(C=C1O)CCN CNP0246187.0 [0,1,0,0,0,0|1,0,1]=3 107 B12R1.288 COC1=CC=C(C=C1O)CCO CNP0076040.0 [0,1,0,0,0,0|1,0,1]=3 108 B12R1.288 COCC1=CC(=O)C(=CO1)OC CNP0145153.0 [0,1,0,0,0,0|2,0,1]=4 109 B12R2.44 COC1=CC=C2C=COC2=C1 CNP0337609.0 [0,0,0,1,0,0|1,0,1]=3 110 B12R2.44 COC1=CC=C2CC=CC2=C1 CNP0276821.0 [0,0,0,1,0,0|0,0,0]=1 111 B12R2.44 COC1=CC=C2N=CNC2=C1 CNP0503942.0 [0,0,0,1,0,0|2,0,0]=3 112 B12R2.44 COC1=CC=C2NC=CC2=C1 CNP0118341.0 [0,0,0,1,0,0|1,0,0]=2 113 B12R2.44 COC1=CC=C2OC=CC2=C1 CNP0295160.0 [0,0,0,1,0,0|1,0,0]=2 114 B12R2.44 O=CC1=CC=C2NC=CC2=C1 CNP0257577.0 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.44 O=CC1=CC=C2OC=CC2=C1 CNP0118306.0 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.44 OCC1=CC=C2OC=CC2=C1 CNP0151111.0 [0,0,0,1,0,0|3,0,0]=4 117 B12R2.326 COC1=CC=C2CC(=O)C2=C1 CNP0032157.0 [0,0,0,1,0,0|1,0,0]=2 118 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [2,0,0,0,0,0|0,0,0]=2 119 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [2,0,0,0,0,0|0,0,0]=2 120 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [2,0,0,0,0,0|1,0,1]=4 122 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [2,0,0,0,0,0|1,0,0]=3 123 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [2,0,0,0,0,0|1,0,0]=3 124 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [2,0,0,0,0,0|1,0,1]=4 127 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [2,0,0,0,0,0|0,0,1]=3 128 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [2,0,0,0,0,0|1,0,1]=4 129 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [2,0,0,0,0,0|0,0,1]=3 130 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [2,0,0,0,0,0|1,0,1]=4 131 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [2,0,0,0,0,0|1,0,1]=4 132 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [2,0,0,0,0,0|1,0,1]=4 133 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [2,0,0,0,0,0|0,0,0]=2 134 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [2,0,0,0,0,0|1,0,0]=3 135 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [2,0,0,0,0,0|1,0,0]=3 136 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [2,0,0,0,0,0|1,0,1]=4 138 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [2,0,0,0,0,0|1,0,0]=3 141 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [2,0,0,0,0,0|1,0,0]=3 144 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [2,0,0,0,0,0|0,0,0]=2 146 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [2,0,0,0,0,0|0,0,2]=4 149 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [2,0,0,0,0,0|0,0,2]=4 150 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [2,0,0,0,0,0|1,0,1]=4 151 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [2,0,0,0,0,0|1,0,1]=4 152 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [2,0,0,0,0,0|1,0,1]=4 153 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [2,0,0,0,0,0|1,0,1]=4 154 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [2,0,0,0,0,0|1,0,1]=4 155 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [2,0,0,0,0,0|1,0,1]=4 156 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [2,0,0,0,0,0|1,0,0]=3 158 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [2,0,0,0,0,0|1,0,1]=4 161 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [2,0,0,0,0,0|1,0,1]=4 163 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [1,1,0,0,0,0|0,0,0]=2 164 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [1,1,0,0,0,0|0,0,1]=3 165 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [1,1,0,0,0,0|0,0,0]=2 166 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [1,1,0,0,0,0|0,0,2]=4 167 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [1,1,0,0,0,0|0,0,2]=4 168 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [1,1,0,0,0,0|0,0,2]=4 169 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [1,1,0,0,0,0|0,0,2]=4 170 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [1,1,0,0,0,0|0,0,2]=4 171 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [1,1,0,0,0,0|0,0,1]=3 172 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [1,1,0,0,0,0|0,0,1]=3 173 B11R1.1 OC1=CC=C(C=C1)CN=C=S CNP0343490.0 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [1,1,0,0,0,0|0,0,2]=4 175 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [1,1,0,0,0,0|0,0,2]=4 176 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [1,1,0,0,0,0|0,0,0]=2 178 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [1,1,0,0,0,0|0,0,1]=3 180 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [1,1,0,0,0,0|0,0,2]=4 183 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [1,1,0,0,0,0|0,0,2]=4 184 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [1,1,0,0,0,0|0,0,2]=4 185 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [1,1,0,0,0,0|0,0,2]=4 186 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [1,1,0,0,0,0|1,0,0]=3 191 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [1,1,0,0,0,0|0,0,0]=2 193 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [1,1,0,0,0,0|0,0,0]=2 194 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [1,1,0,0,0,0|1,0,0]=3 195 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [1,1,0,0,0,0|1,0,1]=4 196 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [1,1,0,0,0,0|0,0,2]=4 197 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [1,1,0,0,0,0|0,0,2]=4 198 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [1,1,0,0,0,0|0,0,2]=4 199 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [1,1,0,0,0,0|1,0,1]=4 200 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [1,1,0,0,0,0|1,0,1]=4 205 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [1,1,0,0,0,0|0,0,0]=2 208 B11R1.81 C=CCC1=NC=C(N=C1C)C CNP0134147.0 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [1,1,0,0,0,0|0,0,2]=4 210 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [1,1,0,0,0,0|0,0,2]=4 211 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [1,1,0,0,0,0|0,0,2]=4 212 B11R1.81 N#CCC1=CC=C(C=C1O)O CNP0137512.0 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.192 C=CCC1=CC=C(C(=C1)C)O CNP0539736.0 [1,1,0,0,0,0|0,0,0]=2 215 B11R1.192 C=CCC1=CC=C(C(=C1)O)O CNP0278721.0 [1,1,0,0,0,0|0,0,0]=2 216 B11R1.192 C=CCC1=CN=C(C(=N1)C)C CNP0077645.0 [1,1,0,0,0,0|2,0,0]=4 217 B11R1.192 CC=CC1=CC=C(C(=C1)C)C CNP0488892.0 [1,1,0,0,0,0|0,0,2]=4 218 B11R1.192 CC=CC1=CC=C(C(=C1)O)O CNP0370461.0 [1,1,0,0,0,0|0,0,2]=4 219 B11R1.192 CCCC1=CC=C(C(=C1)C)C CNP0295102.0 [1,1,0,0,0,0|0,0,2]=4 220 B11R1.192 COCC1=CC=C(C(=C1)Br)O CNP0105261.0 [1,1,0,0,0,0|1,0,1]=4 221 B11R1.192 COCC1=CC=C(C(=C1)O)O CNP0408139.0 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.192 N#CCC1=CC=C(C(=C1)Br)O CNP0142450.0 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.192 NCCC1=CC=C(C(=C1)Br)O CNP0107317.0 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.192 NCCC1=CC=C(C(=C1)Cl)O CNP0576198.0 [1,1,0,0,0,0|1,0,1]=4 225 B11R1.192 NCCC1=CC=C(C(=C1)I)O CNP0147812.0 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.192 NCCC1=CC=C(C(=C1)O)O CNP0254743.0 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.192 O=CCC1=CC=C(C(=C1)O)O CNP0123574.0 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.192 OC=CC1=CC=C(C(=C1)O)O CNP0157779.0 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.192 OCCC1=CC=C(C(=C1)Cl)O CNP0294538.0 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.192 OCCC1=CC=C(C(=C1)O)O CNP0275287.0 [1,1,0,0,0,0|1,0,1]=4 231 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.3 C=CC1=CC=C(C=C1)[N+](=O)[O-] CNP0552467.0 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.3 CC(C)C1=CC=C(C=C1)C=O CNP0195353.0 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.3 CN(C)C1=CC=C(C=C1)C=O CNP0077269.0 [1,1,0,0,0,0|2,0,0]=4 241 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [1,1,0,0,0,0|2,0,0]=4 242 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [1,1,0,0,0,0|2,0,0]=4 243 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [1,1,0,0,0,0|0,0,1]=3 244 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [1,1,0,0,0,0|0,0,1]=3 248 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [1,1,0,0,0,0|0,0,1]=3 250 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [1,1,0,0,0,0|0,0,1]=3 251 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [1,1,0,0,0,0|2,0,0]=4 254 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [1,1,0,0,0,0|0,0,0]=2 256 B11R1.279 CC1=CC(=CC=C1OP)C=O CNP0344714.0 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [1,1,0,0,0,0|0,0,1]=3 259 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.279 COC1=CC=C(C(=C1)O)C=O CNP0298651.0 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [1,1,0,0,0,0|1,0,1]=4 265 B11R1.279 COC1=CC=C(C=C1Br)C=O CNP0185743.0 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.279 COC1=CC=C(C=C1C)C=O CNP0009035.0 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.279 COC1=CC=C(C=C1Cl)C=O CNP0247895.0 [1,1,0,0,0,0|1,0,0]=3 269 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [1,1,0,0,0,0|1,0,0]=3 272 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [1,1,0,0,0,0|1,0,0]=3 273 B11R1.279 COC1=COC(=CC1=O)CO CNP0312690.0 [1,1,0,0,0,0|2,0,0]=4 274 B13R1.5 COC(=O)CC1=CC=C(C=C1)OC CNP0285139.0 [0,2,0,0,0,0|0,0,1]=3 275 B13R1.5 COC1=CC=C(C=C1)C=C(C)C=O CNP0094206.0 [0,2,0,0,0,0|0,0,1]=3 276 B13R1.5 COC1=CC=C(C=C1)NC(=S)SC CNP0050911.0 [0,2,0,0,0,0|1,0,1]=4 277 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O CNP0165426.0 [0,2,0,0,0,0|1,0,0]=3 278 B13R1.35 COC1=CC=C(C=C1O)CC(=O)O CNP0071040.0 [0,2,0,0,0,0|1,0,0]=3 279 B13R1.36 CCC1=CC=C(C=C1)[C@@H](N)C(=O)O CNP0597821.2 [0,2,0,0,0,0|2,0,0]=4 280 B13R1.36 CCC1=CC=C(C=C1)[C@H](N)C(=O)O CNP0597821.1 [0,2,0,0,0,0|2,0,0]=4 281 B13R1.36 COC1=CC=C(C=C1)C(=O)C(=O)N CNP0144847.0 [0,2,0,0,0,0|1,0,1]=4 282 B13R1.36 COC1=CC=C(C=C1)C(=O)C(=O)O CNP0281347.0 [0,2,0,0,0,0|1,0,1]=4 283 B13R1.36 COC1=CC=C(C=C1)[C@@H](C)C(=O)O CNP0249424.1 [0,2,0,0,0,0|1,0,0]=3 284 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(=O)O CNP0485785.2 [0,2,0,0,0,0|1,0,0]=3 285 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(C)C CNP0331599.2 [0,2,0,0,0,0|0,0,2]=4 286 B13R1.36 COC1=CC=C(C=C1)[C@@H](O)C(=O)O CNP0292670.1 [0,2,0,0,0,0|1,0,0]=3 287 B13R1.36 COC1=CC=C(C=C1)[C@@H](O)[C@@H](C)O CNP0184598.4 [0,2,0,0,0,0|0,0,2]=4 288 B13R1.36 COC1=CC=C(C=C1)[C@@H](O)[C@H](C)O CNP0184598.2 [0,2,0,0,0,0|0,0,2]=4 289 B13R1.36 COC1=CC=C(C=C1)[C@H](N)C(=O)O CNP0485785.1 [0,2,0,0,0,0|1,0,0]=3 290 B13R1.36 COC1=CC=C(C=C1)[C@H](N)C(C)C CNP0331599.1 [0,2,0,0,0,0|0,0,2]=4 291 B13R1.36 COC1=CC=C(C=C1)[C@H](O)[C@@H](C)O CNP0184598.1 [0,2,0,0,0,0|0,0,2]=4 292 B13R1.36 COC1=CC=C(C=C1)[C@H](O)[C@H](C)O CNP0184598.3 [0,2,0,0,0,0|0,0,2]=4 293 B13R1.142 C=CCC1=CC=C(C=C1)OC(=O)C CNP0418020.0 [0,2,0,0,0,0|0,0,0]=2 294 B13R1.142 CC(=O)OC1=CC=C(C=C1)CCO CNP0287085.0 [0,2,0,0,0,0|1,0,1]=4 295 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O CNP0313669.0 [0,2,0,0,0,0|1,0,0]=3 296 B13R1.142 CCOC1=CC=C(C=C1)CC(C)N CNP0191059.0 [0,2,0,0,0,0|0,0,2]=4 297 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C CNP0330924.0 [0,2,0,0,0,0|1,0,1]=4 298 B13R1.653 COC1=CC=C(C(=C1)O)CC(=O)O CNP0239375.0 [0,2,0,0,0,0|1,0,0]=3 299 B13R1.653 COC1=CC=C(C(=C1)O)C[C@H](C)O CNP0360565.1 [0,2,0,0,0,0|0,0,2]=4 300 B13R1.653 COC1=CC=C(C(=C1)O)NC(=O)C CNP0561115.0 [0,2,0,0,0,0|1,0,1]=4 301 B13R1.39 COC1=CC=C(C=C1)C(CO)OC CNP0495050.0 [0,2,0,0,0,0|1,0,1]=4 302 B13R1.39 COC1=CC=C(C=C1)C(OC)OC CNP0234292.0 [0,2,0,0,0,0|1,0,1]=4 303 B13R1.452 CNC[C@H](O)C1=CC=C(C=C1)OC CNP0170815.1 [0,2,0,0,0,0|0,0,2]=4 304 B13R1.452 COC1=CC=C(C=C1)C(=O)CC#N CNP0144468.0 [0,2,0,0,0,0|1,0,1]=4 305 B13R1.3088 COC1=CC=C(C=C1O)[C@@H](O)CO CNP0150126.1 [0,2,0,0,0,0|1,0,1]=4 306 B13R1.3 CC(=O)CCC1=CC=C(C=C1)ON CNP0361857.0 [0,2,0,0,0,0|1,0,1]=4 307 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O CNP0457495.0 [0,2,0,0,0,0|1,0,1]=4 308 B13R1.3 CCC1=CC=C(C=C1)COC(=O)C CNP0564625.0 [0,2,0,0,0,0|1,0,1]=4 309 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O CNP0598557.0 [0,2,0,0,0,0|0,0,2]=4 310 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)C CNP0085604.0 [0,2,0,0,0,0|0,0,1]=3 311 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)N CNP0497592.0 [0,2,0,0,0,0|0,0,1]=3 312 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)O CNP0250415.0 [0,2,0,0,0,0|0,0,1]=3 313 B13R1.3 COC1=CC=C(C=C1)C=C[N+](=O)[O-] CNP0600697.0 [0,2,0,0,0,0|1,0,1]=4 314 B13R1.3 COC1=CC=C(C=C1)CCC(=O)C CNP0123166.0 [0,2,0,0,0,0|0,0,1]=3 315 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N CNP0592087.0 [0,2,0,0,0,0|0,0,1]=3 316 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O CNP0156617.0 [0,2,0,0,0,0|0,0,1]=3 317 B13R1.3 COC1=CC=C(C=C1)CCN(C)C CNP0223802.0 [0,2,0,0,0,0|0,0,2]=4 318 B13R1.3 COC1=CC=C(C=C1)CC[C@H](C)O CNP0324316.1 [0,2,0,0,0,0|0,0,2]=4 319 B13R1.3 COC1=CC=C(C=C1)CC[N+](=O)[O-] CNP0491242.0 [0,2,0,0,0,0|1,0,1]=4 320 B13R1.3 COC1=CC=C(C=C1)CNC(=O)C CNP0514444.0 [0,2,0,0,0,0|0,0,1]=3 321 B13R1.3 COC1=CC=C(C=C1)COC(=O)C CNP0232581.0 [0,2,0,0,0,0|0,0,1]=3 322 B13R1.3 COC1=CC=C(C=C1)N=NC(=O)N CNP0184303.0 [0,2,0,0,0,0|2,0,0]=4 323 B13R1.3 COC1=CC=C(C=C1)NNC(=S)N CNP0047522.0 [0,2,0,0,0,0|2,0,0]=4 324 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O CNP0080091.0 [0,2,0,0,0,0|1,0,0]=3 325 B13R1.3 CSC1=CC=C(C=C1)C=CC(=O)O CNP0602100.0 [0,2,0,0,0,0|0,1,1]=4 326 B13R1.74 CC(C)C1=CC=C(C=C1)CCC=O CNP0002936.0 [0,2,0,0,0,0|1,0,1]=4 327 B13R1.74 CN(C)C1=CC=C(C=C1)C=CC=O CNP0520789.0 [0,2,0,0,0,0|1,0,1]=4 328 B13R1.75 COC1=CC=C(C(=C1)O)C=CC=O CNP0080622.0 [0,2,0,0,0,0|0,0,1]=3 329 B13R1.77 CCOC1=CC=C(C=C1)C=CCO CNP0418887.0 [0,2,0,0,0,0|0,0,2]=4 330 B13R1.371 C#CC#CCC1=CC=C(C=C1)OC CNP0229994.0 [0,2,0,0,0,0|0,0,2]=4 331 B13R1.371 C=C=CCOC1=CC=C(C=C1)CO CNP0217892.0 [0,2,0,0,0,0|2,0,0]=4 332 B13R1.371 C=C=CCOC1=CC=C(C=C1)OC CNP0261200.0 [0,2,0,0,0,0|0,0,0]=2 333 B13R1.371 CCCCCC1=CC=C(C=C1)OC CNP0505524.0 [0,2,0,0,0,0|0,0,2]=4 334 B13R1.371 COC1=CC=C(C=C1)C=CN=C=S CNP0267624.0 [0,2,0,0,0,0|0,0,2]=4 335 B13R1.371 COC1=CC=C(C=C1)C=CNC=O CNP0266035.0 [0,2,0,0,0,0|0,0,1]=3 336 B13R1.371 COCC=CC1=CC=C(C=C1)OC CNP0276419.0 [0,2,0,0,0,0|0,0,2]=4 337 B13R1.577 CNCCC1=CC=C(C(=C1)O)OC CNP0506314.0 [0,2,0,0,0,0|0,0,2]=4 338 B13R1.577 COC1=CC=C(C=C1C)C=CC=O CNP0119255.0 [0,2,0,0,0,0|0,0,1]=3 339 B13R1.577 COC1=CC=C(C=C1O)C=CC=O CNP0158241.0 [0,2,0,0,0,0|0,0,1]=3 340 B13R1.577 COC1=CC=C(C=C1O)C=CCO CNP0270945.0 [0,2,0,0,0,0|0,0,2]=4 341 B13R1.577 COC1=CC=C(C=C1O)CCCO CNP0221328.0 [0,2,0,0,0,0|0,0,2]=4 342 B13R1.388 CC=CC1=CC=C(C(=C1)O)OCC CNP0359595.0 [0,2,0,0,0,0|0,0,2]=4 343 B13R1.1249 C=CCC1=CC=C(C=C1OC)OC CNP0293522.0 [0,2,0,0,0,0|0,0,0]=2 344 B13R1.1249 CC=CC1=CC=C(C=C1OC)OC CNP0296223.0 [0,2,0,0,0,0|0,0,2]=4 345 B13R1.1249 COC1=CC=C(C(=C1)OC)CNN CNP0064688.0 [0,2,0,0,0,0|2,0,0]=4 346 B13R1.386 C=CCC1=CC=C(C(=C1)OC)OC CNP0137352.0 [0,2,0,0,0,0|0,0,0]=2 347 B13R1.386 CC=CC1=CC=C(C(=C1)OC)OC CNP0286991.0 [0,2,0,0,0,0|0,0,2]=4 348 B13R1.386 CCCC1=CC=C(C(=C1)OC)OC CNP0355885.0 [0,2,0,0,0,0|0,0,2]=4 349 B13R1.386 COC1=CC=C(C=C1OC)C=CO CNP0075049.0 [0,2,0,0,0,0|1,0,1]=4 350 B13R1.386 COC1=CC=C(C=C1OC)CC#N CNP0382012.0 [0,2,0,0,0,0|1,0,1]=4 351 B13R1.386 COC1=CC=C(C=C1OC)CC=O CNP0329009.0 [0,2,0,0,0,0|1,0,0]=3 352 B13R1.386 COC1=CC=C(C=C1OC)CCN CNP0332750.0 [0,2,0,0,0,0|1,0,1]=4 353 B13R1.386 COC1=CC=C(C=C1OC)CCO CNP0225714.0 [0,2,0,0,0,0|1,0,1]=4 354 B13R1.4031 COC1=C(C=C(C=C1Br)CC#N)Br CNP0170049.0 [0,2,0,0,0,0|1,0,1]=4 355 B13R1.4031 COC1=C(C=C(C=C1Br)CCN)Br CNP0309722.0 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.4031 COC1=C(C=C(C=C1I)CCN)Br CNP0428725.0 [0,2,0,0,0,0|1,0,1]=4 357 B13R1.4031 COC1=C(C=C(C=C1I)CCN)I CNP0225839.0 [0,2,0,0,0,0|1,0,1]=4 358 B13R1.4031 COC1=C(C=C(C=C1O)CCO)O CNP0374339.0 [0,2,0,0,0,0|1,0,1]=4 359 B11R1.13 C=CCC1=CC=CC(=C1O)C CNP0326275.0 [0,0,1,1,0,0|2,0,0]=4 360 B11R1.28 CC=CC=CC1=CC=CC=N1 CNP0080784.0 [0,0,1,1,0,0|2,0,0]=4 361 B11R1.267 C=CC1=CC=CC(=C1O)OC CNP0519392.0 [0,0,1,1,0,0|1,0,1]=4 362 B11R1.25 COC(=O)C=CC1=CC=CO1 CNP0003236.0 [0,0,1,1,0,0|2,0,0]=4 363 B11R2.36 BrC1=CC=C2CC=CC2=C1 CNP0185507.0 [1,0,0,1,0,0|1,0,0]=3 364 B11R2.36 BrC1=CC=C2NC=CC2=C1 CNP0397727.0 [1,0,0,1,0,0|2,0,0]=4 365 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [1,0,0,1,0,0|1,0,1]=4 366 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [1,0,0,1,0,0|0,0,2]=4 367 B11R2.36 CC1=CC=C2N=CNC2=C1 CNP0512184.0 [1,0,0,1,0,0|2,0,0]=4 368 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [1,0,0,1,0,0|1,0,0]=3 369 B11R2.36 CC1=CC=C2SC=CC2=N1 CNP0115761.0 [1,0,0,1,0,0|2,0,0]=4 370 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [1,0,0,1,0,0|1,0,1]=4 371 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [1,0,0,1,0,0|0,0,0]=2 372 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [1,0,0,1,0,0|0,0,2]=4 373 B11R2.36 OC1=CC=C2NC=CC2=C1 CNP0421176.0 [1,0,0,1,0,0|1,0,0]=3 374 B11R2.36 OC1=CC=C2NC=NC2=C1 CNP0083825.0 [1,0,0,1,0,0|2,0,0]=4 375 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [1,0,0,1,0,0|1,0,0]=3 376 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [1,0,0,1,0,0|1,0,0]=3 377 B11R2.190 COC1=CC=C2CCC2=C1 CNP0063591.0 [1,0,0,1,0,0|0,0,1]=3 378 B13R2.16 COC1=CC=C(C=C1)[C@@H]2O[C@H]2C CNP0316606.1 [0,1,0,1,0,0|0,0,2]=4 379 B13R2.184 COC1=CC=C(C=C1)C[C@@H]2CO2 CNP0109830.2 [0,1,0,1,0,0|0,0,2]=4 380 B13R2.184 COC1=CC=C(C=C1)C[C@H]2CO2 CNP0109830.1 [0,1,0,1,0,0|0,0,2]=4 381 B13R2.2121 COC1=CC=C2N=C(OC2=C1)O CNP0603780.0 [0,1,0,1,0,0|2,0,0]=4 382 B13R2.2121 COC1=CC=C2NC(=O)OC2=C1 CNP0215384.0 [0,1,0,1,0,0|2,0,0]=4 383 B13R2.2121 COC1=CC=C2NC(=O)SC2=C1 CNP0406672.0 [0,1,0,1,0,0|2,0,0]=4 384 B13R2.2121 COC1=CC=C2OC(=CC2=C1)C CNP0292033.0 [0,1,0,1,0,0|1,0,0]=3 385 B13R2.93 COC1=CC=C2C(=C1)C[C@@H]2C#N CNP0029799.1 [0,1,0,1,0,0|1,0,1]=4 386 B13R2.93 COC1=CC=C2C(=C1)C[C@H]2C#N CNP0029799.2 [0,1,0,1,0,0|1,0,1]=4 387 B13R2.2112 COC1=CC=C2C(=O)C(=O)C2=C1 CNP0418435.0 [0,1,0,1,0,0|1,0,1]=4 388 B13R2.57 CCC1=CC=C2C=CC=CC2=C1 CNP0389841.0 [0,1,0,1,0,0|1,0,1]=4 389 B13R2.57 COC1=CC=C2C=CC=CC2=C1 CNP0110785.0 [0,1,0,1,0,0|0,0,1]=3 390 B13R2.57 COC1=CC=C2C=CCOC2=C1 CNP0590753.0 [0,1,0,1,0,0|0,0,2]=4 391 B13R2.57 COC1=CC=C2CCC=CC2=C1 CNP0578027.0 [0,1,0,1,0,0|0,0,0]=2 392 B13R2.57 COC1=CC=C2CCNCC2=C1 CNP0223887.0 [0,1,0,1,0,0|0,0,2]=4 393 B13R2.57 COC1=CC=C2CNCCC2=C1 CNP0279810.0 [0,1,0,1,0,0|0,0,2]=4 394 B13R2.57 COC1=CC=C2OCC=CC2=C1 CNP0140075.0 [0,1,0,1,0,0|0,0,0]=2 395 B13R2.430 CC(N)C1=CC=C2NC=CC2=C1 CNP0164913.0 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.449 C=CCC1=CC=C2OCOC2=C1 CNP0320423.0 [0,1,0,1,0,0|0,0,0]=2 397 B13R2.449 C=CC[14C]1=[14CH][14CH]=[14C]2OCO[14C]2=[14CH]1 CNP0508090.0 [0,1,0,1,0,0|0,0,0]=2 398 B13R2.449 CC=CC1=CC=C2OCOC2=C1 CNP0416776.0 [0,1,0,1,0,0|0,0,2]=4 399 B13R2.449 NCCC1=CC=C2OCOC2=C1 CNP0480168.0 [0,1,0,1,0,0|1,0,1]=4 400 B13R2.449 O=CCC1=CC=C2OCOC2=C1 CNP0277871.0 [0,1,0,1,0,0|1,0,0]=3 401 B13R2.449 OCCC1=CC=C2OCOC2=C1 CNP0131322.0 [0,1,0,1,0,0|1,0,1]=4 402 B13R2.599 COC1=CC2=C(C=C1O)NC=C2 CNP0018089.0 [0,1,0,1,0,0|1,0,0]=3 403 B13R2.599 COC1=CC2=C(C=CN2)C=C1Br CNP0169346.0 [0,1,0,1,0,0|1,0,1]=4 404 B13R2.599 COC1=CC2=C(C=CN2)C=C1O CNP0094755.0 [0,1,0,1,0,0|1,0,1]=4 405 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [1,0,0,0,1,0|2,0,0]=4