0 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [0,0,0,0,0,0|0,0,2]=2 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|0,0,0]=0 4 B11R1.83 CCOC1=CC=C(C=C1)C=O CNP0125855.0 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.83 CCOC1=CC=C(C=C1)CO CNP0278439.0 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [0,0,0,0,0,0|1,0,0]=1 7 B11R1.83 COC1=CC=C(C=C1)C=NN CNP0396597.0 [0,0,0,0,0,0|2,0,1]=3 8 B11R1.83 COC1=CC=C(C=C1)C=NO CNP0150314.0 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [0,0,0,0,0,0|1,0,1]=2 10 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [0,0,0,0,0,0|1,0,0]=1 12 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.83 NOC1=CC=C(C=C1)CC=O CNP0170203.0 [0,0,0,0,0,0|2,0,1]=3 14 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,0,0,0,0,0|0,0,2]=3 15 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,0,0,0,0,0|0,0,2]=3 16 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.1 CC1=CC=C(C=C1)SC#N CNP0533747.0 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,0,0,0,0,0|0,0,2]=3 20 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,0,0,0,0,0|0,0,2]=3 21 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,0,0,0,0,0|0,0,0]=1 22 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.1 CCOC1=CN=C(C=N1)C CNP0144720.0 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.1 N#CSC1=CC=C(C=C1)O CNP0157204.0 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [1,0,0,0,0,0|1,0,2]=4 33 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,0,0,0,0,0|1,0,0]=2 36 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [1,0,0,0,0,0|1,0,2]=4 38 B10R1.3 BrCC1=CC=C(C=C1)CBr CNP0025281.0 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [1,0,0,0,0,0|1,0,1]=3 40 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [1,0,0,0,0,0|0,0,2]=3 42 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [1,0,0,0,0,0|1,0,0]=2 45 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [1,0,0,0,0,0|0,0,0]=1 46 B10R1.3 CCC1=CN=C(C=N1)CC CNP0205141.0 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [1,0,0,0,0,0|1,0,1]=3 49 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [1,0,0,0,0,0|1,0,1]=3 50 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [1,0,0,0,0,0|1,0,1]=3 51 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [1,0,0,0,0,0|1,0,0]=2 52 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [1,0,0,0,0,0|1,0,0]=2 53 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [1,0,0,0,0,0|3,0,0]=4 56 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O CNP0241000.0 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.4 CCC1=CC=C(C=C1)CC(C)C CNP0076478.0 [0,1,0,0,0,0|1,0,0]=2 58 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C CNP0244471.0 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [0,1,0,0,0,0|0,0,2]=3 60 B12R1.4 COC1=CC=C(C=C1)CC(=O)C CNP0229458.0 [0,1,0,0,0,0|0,0,1]=2 61 B12R1.4 COC1=CC=C(C=C1)CC(=O)N CNP0553405.0 [0,1,0,0,0,0|1,0,1]=3 62 B12R1.4 COC1=CC=C(C=C1)CC(=O)O CNP0125359.0 [0,1,0,0,0,0|1,0,1]=3 63 B12R1.4 COC1=CC=C(C=C1)CN(C)C CNP0165442.0 [0,1,0,0,0,0|1,0,0]=2 64 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [0,1,0,0,0,0|0,0,0]=1 65 B12R1.4 COC1=CC=C(C=C1)NC(=O)C CNP0211997.0 [0,1,0,0,0,0|1,0,1]=3 66 B12R1.4 COC1=CC=C(C=C1)NC(=S)N CNP0409458.0 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.4 COC1=CC=C(C=N1)NC(=O)C CNP0029688.0 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.5 C=C[C@@H](O)C1=CC=C(C=C1)OC CNP0219145.2 [0,1,0,0,0,0|0,0,2]=3 69 B12R1.5 C=C[C@H](O)C1=CC=C(C=C1)OC CNP0219145.1 [0,1,0,0,0,0|0,0,2]=3 70 B12R1.5 CCC(=O)C1=CC=C(C=C1)CC CNP0003457.0 [0,1,0,0,0,0|1,0,1]=3 71 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC CNP0079982.0 [0,1,0,0,0,0|0,0,1]=2 72 B12R1.5 CCC1=CC=C(C=C1)C(O)CO CNP0357223.0 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,1,0,0,0,0|0,0,0]=1 74 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,1,0,0,0,0|0,0,0]=1 75 B12R1.5 CNC1=CC=C(C=C1)C(=O)OC CNP0331902.0 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.5 COC(=O)C1=CC=C(C=C1)OC CNP0223742.0 [0,1,0,0,0,0|1,0,1]=3 77 B12R1.5 COC1=CC=C(C=C1)C(=NO)C CNP0105997.0 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.5 COC1=CC=C(C=C1)C(=O)C=O CNP0302922.0 [0,1,0,0,0,0|1,0,2]=4 79 B12R1.5 COC1=CC=C(C=C1)C(=O)CO CNP0302541.0 [0,1,0,0,0,0|1,0,1]=3 80 B12R1.5 COC1=CC=C(C=C1)C(=O)NN CNP0135265.0 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.5 COC1=CC=C(C=C1)C(=O)NO CNP0348259.0 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [0,1,0,0,0,0|1,0,0]=2 83 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [0,1,0,0,0,0|1,0,0]=2 84 B12R1.71 CCC1=CC=C(C=C1)OCOC CNP0037548.0 [0,1,0,0,0,0|2,0,0]=3 85 B12R1.71 CCC=CC1=CC=C(C=C1)OC CNP0297970.0 [0,1,0,0,0,0|0,0,1]=2 86 B12R1.71 CNCCC1=CC=C(C=C1)OC CNP0219456.0 [0,1,0,0,0,0|0,0,0]=1 87 B12R1.71 COC1=CC=C(C=C1)C=CC#N CNP0327482.0 [0,1,0,0,0,0|0,0,3]=4 88 B12R1.71 COC1=CC=C(C=C1)C=CC=O CNP0225036.0 [0,1,0,0,0,0|0,0,3]=4 89 B12R1.71 COC1=CC=C(C=C1)C=CCO CNP0413642.0 [0,1,0,0,0,0|0,0,2]=3 90 B12R1.71 COC1=CC=C(C=C1)CCC#N CNP0264355.0 [0,1,0,0,0,0|0,0,1]=2 91 B12R1.71 COC1=CC=C(C=C1)CN=C=S CNP0188935.0 [0,1,0,0,0,0|1,0,1]=3 92 B12R1.71 COC1=CC=C(C=C1)COC=O CNP0338310.0 [0,1,0,0,0,0|1,0,1]=3 93 B12R1.71 COC1=CC=C(C=C1)C[N+]=C=S CNP0479456.0 [0,1,0,0,0,0|1,0,1]=3 94 B12R1.71 COC=CC1=CC=C(C=C1)OC CNP0081538.0 [0,1,0,0,0,0|0,0,2]=3 95 B12R1.113 CC(C)C1=CC=C(C=C1)CC=O CNP0002405.0 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.113 CC(C)C1=CC=C(C=C1)CCO CNP0101568.0 [0,1,0,0,0,0|2,0,0]=3 97 B12R1.113 CCCC1=CC=C(C=C1)C(C)O CNP0532049.0 [0,1,0,0,0,0|1,0,0]=2 98 B12R1.113 CCCC1=CC=C(N=C1)C(=O)O CNP0313246.0 [0,1,0,0,0,0|3,0,0]=4 99 B12R1.113 CCNC1=CC=C(C=C1)C(=O)O CNP0104432.0 [0,1,0,0,0,0|3,0,0]=4 100 B12R1.113 CCOC1=CC=C(C=C1)C(=O)O CNP0304369.0 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.113 COCC1=CC=C(C=C1)[S@@+](C)[O-] CNP0479913.1 [0,1,0,0,0,0|1,1,0]=3 102 B12R1.113 O=C(O)C1=CC=C(C=C1)CCO CNP0586767.0 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.114 C=CCC1=CC=C(C=C1O)OC CNP0106128.0 [0,1,0,0,0,0|0,0,2]=3 104 B12R1.114 CC=CC1=CC=C(C=C1O)OC CNP0526472.0 [0,1,0,0,0,0|0,0,2]=3 105 B12R1.114 CCCC1=CC=C(C=C1C)CC CNP0216673.0 [0,1,0,0,0,0|1,0,0]=2 106 B12R1.114 CCOC1=CC=C(C=C1O)CO CNP0221615.0 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.116 BrCCC1=CC=C(C=C1)CCBr CNP0060250.0 [0,1,0,0,0,0|2,0,0]=3 108 B12R1.116 CCCC1=CC=C(C=C1)C[N+]#N CNP0577325.0 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.116 COCC1=CC=C(C=C1)COC CNP0080194.0 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.116 ClCCC1=CC=C(C=C1)CCCl CNP0402607.0 [0,1,0,0,0,0|2,0,0]=3 111 B12R1.116 ICCC1=CC=C(C=C1)CCI CNP0056277.0 [0,1,0,0,0,0|2,0,0]=3 112 B12R1.116 NCCC1=CC=C(C=C1)CCN CNP0445340.0 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.288 C=CCC1=CC=C(C(=C1)O)OC CNP0181536.0 [0,1,0,0,0,0|0,0,2]=3 114 B12R1.288 CC=CC1=CC=C(C(=C1)O)OC CNP0299210.0 [0,1,0,0,0,0|0,0,2]=3 115 B12R1.288 CCCC1=CC=C(C(=C1)O)OC CNP0214353.0 [0,1,0,0,0,0|0,0,0]=1 116 B12R1.288 COC1=CC=C(C=C1Br)CC#N CNP0197630.0 [0,1,0,0,0,0|1,0,1]=3 117 B12R1.288 COC1=CC=C(C=C1O)CCN CNP0246187.0 [0,1,0,0,0,0|1,0,0]=2 118 B12R1.288 COC1=CC=C(C=C1O)CCO CNP0076040.0 [0,1,0,0,0,0|1,0,0]=2 119 B12R1.288 COCC1=CC(=O)C(=CO1)OC CNP0145153.0 [0,1,0,0,0,0|2,0,0]=3 120 B12R2.44 COC1=CC=C2C=COC2=C1 CNP0337609.0 [0,0,0,1,0,0|1,0,2]=4 121 B12R2.44 COC1=CC=C2CC=CC2=C1 CNP0276821.0 [0,0,0,1,0,0|0,0,2]=3 122 B12R2.44 COC1=CC=C2N=CNC2=C1 CNP0503942.0 [0,0,0,1,0,0|2,0,1]=4 123 B12R2.44 COC1=CC=C2NC=CC2=C1 CNP0118341.0 [0,0,0,1,0,0|1,0,2]=4 124 B12R2.44 COC1=CC=C2OC=CC2=C1 CNP0295160.0 [0,0,0,1,0,0|1,0,2]=4 125 B12R2.44 O=CC1=CC=C2CCCC2=C1 CNP0186232.0 [0,0,0,1,0,0|2,0,0]=3 126 B12R2.326 COC1=CC=C2CC(=O)C2=C1 CNP0032157.0 [0,0,0,1,0,0|1,0,1]=3 127 B10R1.96 CCCC1=CSC(=N1)CC CNP0002531.0 [0,0,0,0,1,0|3,0,0]=4 128 B10R1.96 CCCC1=NC(=CS1)CC CNP0006135.0 [0,0,0,0,1,0|3,0,0]=4 129 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [1,0,1,0,0,0|1,0,1]=4 130 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [2,0,0,0,0,0|0,0,2]=4 131 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [2,0,0,0,0,0|0,0,2]=4 132 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [2,0,0,0,0,0|1,0,1]=4 133 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [2,0,0,0,0,0|1,0,1]=4 134 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [2,0,0,0,0,0|1,0,0]=3 135 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [2,0,0,0,0,0|2,0,0]=4 136 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [2,0,0,0,0,0|1,0,0]=3 138 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [2,0,0,0,0,0|0,0,0]=2 139 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [2,0,0,0,0,0|1,0,0]=3 140 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [2,0,0,0,0,0|0,0,0]=2 141 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [2,0,0,0,0,0|1,0,0]=3 143 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [2,0,0,0,0,0|0,0,0]=2 148 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [2,0,0,0,0,0|1,0,0]=3 150 B9R1.1 COC1=CN=C(C=N1)C CNP0002521.0 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [2,0,0,0,0,0|1,0,1]=4 152 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [2,0,0,0,0,0|1,0,0]=3 154 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [2,0,0,0,0,0|1,0,1]=4 155 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [2,0,0,0,0,0|1,0,0]=3 157 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [2,0,0,0,0,0|0,0,2]=4 159 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [2,0,0,0,0,0|0,0,2]=4 160 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [2,0,0,0,0,0|0,0,0]=2 161 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [2,0,0,0,0,0|1,0,0]=3 163 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [2,0,0,0,0,0|1,0,0]=3 167 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [2,0,0,0,0,0|1,0,1]=4 173 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [2,0,0,0,0,0|1,0,1]=4 174 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [2,0,0,0,0,0|1,0,0]=3 175 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [2,0,0,0,0,0|2,0,0]=4 176 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [2,0,0,0,0,0|1,0,1]=4 177 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [2,0,0,0,0,0|1,0,0]=3 178 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [2,0,0,0,0,0|1,0,0]=3 180 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [1,1,0,0,0,0|0,0,1]=3 181 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [1,1,0,0,0,0|0,0,1]=3 182 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [1,1,0,0,0,0|1,0,0]=3 183 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [1,1,0,0,0,0|0,0,0]=2 184 B11R1.1 CCCCC1=CC=C(N=C1)C CNP0596182.0 [1,1,0,0,0,0|1,0,0]=3 185 B11R1.1 CCCCN1C=CC(=N)C=C1 CNP0059426.0 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.1 CCCOC1=CC=C(C=C1)Br CNP0287758.0 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.1 CCCOC1=CC=C(C=C1)N CNP0514752.0 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [1,1,0,0,0,0|0,0,0]=2 189 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [1,1,0,0,0,0|0,0,0]=2 190 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [1,1,0,0,0,0|0,0,0]=2 191 B11R1.1 ClCCOC1=CC=C(C=C1)Br CNP0422395.0 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [1,1,0,0,0,0|0,0,0]=2 193 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [1,1,0,0,0,0|0,0,1]=3 194 B11R1.1 OC1=CC=C(C=C1)CN=C=S CNP0343490.0 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [1,1,0,0,0,0|0,0,2]=4 196 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [1,1,0,0,0,0|0,0,0]=2 197 B11R1.1 OCCOC1=CC=C(C=C1)Cl CNP0569339.0 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [1,1,0,0,0,0|0,0,1]=3 200 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [1,1,0,0,0,0|0,0,1]=3 202 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [1,1,0,0,0,0|1,0,1]=4 203 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [1,1,0,0,0,0|0,0,0]=2 205 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [1,1,0,0,0,0|1,0,0]=3 206 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [1,1,0,0,0,0|0,0,0]=2 207 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [1,1,0,0,0,0|0,0,0]=2 208 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [1,1,0,0,0,0|0,0,0]=2 209 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [1,1,0,0,0,0|0,0,2]=4 213 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [1,1,0,0,0,0|0,0,2]=4 214 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [1,1,0,0,0,0|1,0,1]=4 215 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [1,1,0,0,0,0|1,0,0]=3 216 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [1,1,0,0,0,0|0,0,1]=3 218 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [1,1,0,0,0,0|0,0,0]=2 219 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [1,1,0,0,0,0|0,0,0]=2 220 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [1,1,0,0,0,0|0,0,0]=2 221 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [1,1,0,0,0,0|1,0,1]=4 222 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [1,1,0,0,0,0|1,0,1]=4 223 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [1,1,0,0,0,0|1,0,1]=4 224 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [1,1,0,0,0,0|1,0,0]=3 225 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [1,1,0,0,0,0|1,0,1]=4 226 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [1,1,0,0,0,0|1,0,1]=4 227 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [1,1,0,0,0,0|1,0,0]=3 228 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [1,1,0,0,0,0|1,0,1]=4 230 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [1,1,0,0,0,0|1,0,0]=3 232 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [1,1,0,0,0,0|0,0,2]=4 233 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [1,1,0,0,0,0|0,0,2]=4 234 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [1,1,0,0,0,0|0,0,0]=2 235 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [1,1,0,0,0,0|0,0,0]=2 236 B11R1.81 CCCC1=NC=C(N=C1C)C CNP0325666.0 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.81 CCOC1=CC=C(C=C1Br)Br CNP0017924.0 [1,1,0,0,0,0|2,0,0]=4 238 B11R1.81 CNCC1=CC=C(C=C1O)Cl CNP0445122.0 [1,1,0,0,0,0|2,0,0]=4 239 B11R1.81 N#CCC1=CC=C(C=C1O)O CNP0137512.0 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.192 C=CCC1=CC=C(C(=C1)C)O CNP0539736.0 [1,1,0,0,0,0|0,0,2]=4 242 B11R1.192 C=CCC1=CC=C(C(=C1)O)O CNP0278721.0 [1,1,0,0,0,0|0,0,2]=4 243 B11R1.192 CC=CC1=CC=C(C(=C1)C)C CNP0488892.0 [1,1,0,0,0,0|0,0,2]=4 244 B11R1.192 CC=CC1=CC=C(C(=C1)O)O CNP0370461.0 [1,1,0,0,0,0|0,0,2]=4 245 B11R1.192 CCCC1=CC=C(C(=C1)C)C CNP0295102.0 [1,1,0,0,0,0|0,0,0]=2 246 B11R1.192 CCCC1=CN=C(C(=N1)C)C CNP0023321.0 [1,1,0,0,0,0|2,0,0]=4 247 B11R1.192 COCC1=CC=C(C(=C1)Br)O CNP0105261.0 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.192 COCC1=CC=C(C(=C1)O)O CNP0408139.0 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.192 N#CCC1=CC=C(C(=C1)Br)O CNP0142450.0 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.192 NCCC1=CC(=O)C(=O)C=C1 CNP0384373.0 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.192 NCCC1=CC=C(C(=C1)Br)O CNP0107317.0 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.192 NCCC1=CC=C(C(=C1)Cl)O CNP0576198.0 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.192 NCCC1=CC=C(C(=C1)I)O CNP0147812.0 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.192 NCCC1=CC=C(C(=C1)O)O CNP0254743.0 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.192 O=CCC1=CC=C(C(=C1)O)O CNP0123574.0 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.192 OCCC1=CC=C(C(=C1)Cl)O CNP0294538.0 [1,1,0,0,0,0|1,0,0]=3 257 B11R1.192 OCCC1=CC=C(C(=C1)O)O CNP0275287.0 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.3 CC(C)C1=CC=C(C=C1)C=O CNP0195353.0 [1,1,0,0,0,0|2,0,0]=4 259 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [1,1,0,0,0,0|2,0,0]=4 260 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [1,1,0,0,0,0|2,0,0]=4 263 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.3 CNC1=CC=C(C=C1)N(C)C CNP0587499.0 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [1,1,0,0,0,0|0,0,1]=3 266 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [1,1,0,0,0,0|0,0,0]=2 270 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [1,1,0,0,0,0|0,0,0]=2 272 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [1,1,0,0,0,0|0,0,0]=2 273 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.3 COC1=CN=C(C=N1)C(C)C CNP0044893.0 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [1,1,0,0,0,0|2,0,0]=4 276 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [1,1,0,0,0,0|1,0,1]=4 277 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [1,1,0,0,0,0|0,0,2]=4 278 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [1,1,0,0,0,0|1,0,0]=3 279 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [1,1,0,0,0,0|0,0,0]=2 280 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [1,1,0,0,0,0|1,0,0]=3 282 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.279 COC1=CC=C(C(=C1)O)C=O CNP0298651.0 [1,1,0,0,0,0|1,0,1]=4 285 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [1,1,0,0,0,0|1,0,0]=3 286 B11R1.279 COC1=CC=C(C=C1Br)C=O CNP0185743.0 [1,1,0,0,0,0|1,0,1]=4 287 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [1,1,0,0,0,0|1,0,0]=3 288 B11R1.279 COC1=CC=C(C=C1C)C=O CNP0009035.0 [1,1,0,0,0,0|1,0,1]=4 289 B11R1.279 COC1=CC=C(C=C1Cl)C=O CNP0247895.0 [1,1,0,0,0,0|1,0,1]=4 290 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.279 COC1=COC(=CC1=O)CO CNP0312690.0 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.187 CCC[C@@H]1C=C(C(=O)C1)OC CNP0350695.1 [0,1,0,0,1,0|0,0,2]=4 296 B13R1.5 COC(=O)CC1=CC=C(C=C1)OC CNP0285139.0 [0,2,0,0,0,0|0,0,1]=3 297 B13R1.5 COC1=CC=C(C=C1)C=C(C)C=O CNP0094206.0 [0,2,0,0,0,0|0,0,2]=4 298 B13R1.5 COC1=CC=C(C=C1)NC(=S)SC CNP0050911.0 [0,2,0,0,0,0|1,0,1]=4 299 B13R1.35 COC1=CC=C(C=C1Br)CC(=O)O CNP0165426.0 [0,2,0,0,0,0|1,0,1]=4 300 B13R1.35 COC1=CC=C(C=C1O)CC(=O)O CNP0071040.0 [0,2,0,0,0,0|1,0,1]=4 301 B13R1.36 COC1=CC=C(C=C1)C(=O)[C@@H](C)O CNP0372179.1 [0,2,0,0,0,0|0,0,1]=3 302 B13R1.36 COC1=CC=C(C=C1)C(=O)[C@H](C)O CNP0372179.2 [0,2,0,0,0,0|0,0,1]=3 303 B13R1.36 COC1=CC=C(C=C1)[C@@H](C)C(=O)O CNP0249424.1 [0,2,0,0,0,0|1,0,1]=4 304 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(=O)O CNP0485785.2 [0,2,0,0,0,0|1,0,1]=4 305 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(C)C CNP0331599.2 [0,2,0,0,0,0|0,0,0]=2 306 B13R1.36 COC1=CC=C(C=C1)[C@@H](O)C(=O)O CNP0292670.1 [0,2,0,0,0,0|1,0,1]=4 307 B13R1.36 COC1=CC=C(C=C1)[C@@H](O)[C@@H](C)O CNP0184598.4 [0,2,0,0,0,0|0,0,0]=2 308 B13R1.36 COC1=CC=C(C=C1)[C@@H](O)[C@H](C)O CNP0184598.2 [0,2,0,0,0,0|0,0,0]=2 309 B13R1.36 COC1=CC=C(C=C1)[C@H](N)C(=O)O CNP0485785.1 [0,2,0,0,0,0|1,0,1]=4 310 B13R1.36 COC1=CC=C(C=C1)[C@H](N)C(C)C CNP0331599.1 [0,2,0,0,0,0|0,0,0]=2 311 B13R1.36 COC1=CC=C(C=C1)[C@H](O)[C@@H](C)O CNP0184598.1 [0,2,0,0,0,0|0,0,0]=2 312 B13R1.36 COC1=CC=C(C=C1)[C@H](O)[C@H](C)O CNP0184598.3 [0,2,0,0,0,0|0,0,0]=2 313 B13R1.142 C=CCC1=CC=C(C=C1)OC(=O)C CNP0418020.0 [0,2,0,0,0,0|0,0,2]=4 314 B13R1.142 CC(=O)OC1=CC=C(C=C1)CCO CNP0287085.0 [0,2,0,0,0,0|1,0,0]=3 315 B13R1.142 CC(C)CC1=CC=C(C=C1)CC#N CNP0313929.0 [0,2,0,0,0,0|1,0,1]=4 316 B13R1.142 CCOC1=CC=C(C=C1)CC(=O)O CNP0313669.0 [0,2,0,0,0,0|1,0,1]=4 317 B13R1.142 CCOC1=CC=C(C=C1)CC(C)N CNP0191059.0 [0,2,0,0,0,0|0,0,0]=2 318 B13R1.142 CCOC1=CC=C(C=C1)NC(=O)C CNP0330924.0 [0,2,0,0,0,0|1,0,1]=4 319 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O CNP0471633.0 [0,2,0,0,0,0|2,0,0]=4 320 B13R1.585 CC(C)CC1=CC=C(C=C1)[C@H](C)O CNP0358956.1 [0,2,0,0,0,0|1,0,0]=3 321 B13R1.653 CCC1=CC=C(C(=O)O1)CC(C)C CNP0226350.0 [0,2,0,0,0,0|2,0,0]=4 322 B13R1.653 COC1=CC=C(C(=C1)O)CC(=O)O CNP0239375.0 [0,2,0,0,0,0|1,0,1]=4 323 B13R1.653 COC1=CC=C(C(=C1)O)C[C@H](C)O CNP0360565.1 [0,2,0,0,0,0|0,0,0]=2 324 B13R1.653 COC1=CC=C(C(=C1)O)NC(=O)C CNP0561115.0 [0,2,0,0,0,0|1,0,1]=4 325 B13R1.39 COC1=CC=C(C=C1)C(CO)OC CNP0495050.0 [0,2,0,0,0,0|1,0,0]=3 326 B13R1.39 COC1=CC=C(C=C1)C(OC)OC CNP0234292.0 [0,2,0,0,0,0|1,0,0]=3 327 B13R1.95 CCC(=O)C1=CC=C(C=C1O)OC CNP0227317.0 [0,2,0,0,0,0|0,0,1]=3 328 B13R1.95 COC(=O)C1=CC=C(C=C1O)OC CNP0304629.0 [0,2,0,0,0,0|1,0,1]=4 329 B13R1.139 CCCC1=CN=C(N=C1)C(=O)OC CNP0232613.0 [0,2,0,0,0,0|2,0,0]=4 330 B13R1.452 CCOC(=O)C1=CC=C(C=C1)NC CNP0322194.0 [0,2,0,0,0,0|1,0,1]=4 331 B13R1.452 CCOC(=O)C1=CC=C(C=C1)OC CNP0334589.0 [0,2,0,0,0,0|0,0,1]=3 332 B13R1.452 CCOC(=O)C1=CC=C(C=N1)OC CNP0243346.0 [0,2,0,0,0,0|1,0,1]=4 333 B13R1.452 CCOC(=O)C1=CC=C(N=C1)OC CNP0232360.0 [0,2,0,0,0,0|1,0,1]=4 334 B13R1.452 CNC[C@H](O)C1=CC=C(C=C1)OC CNP0170815.1 [0,2,0,0,0,0|0,0,0]=2 335 B13R1.452 COC1=CC=C(C=C1)C(=O)CC#N CNP0144468.0 [0,2,0,0,0,0|0,0,2]=4 336 B13R1.537 CC(=O)C1=CC=C(C=C1)[C@H](O)CO CNP0118446.1 [0,2,0,0,0,0|2,0,0]=4 337 B13R1.537 CC[C@@H](C)C1=CC=C(C=C1)C(=O)O CNP0478298.1 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.537 CC[C@H](C)C1=CC=C(C=C1)C(=O)O CNP0478298.2 [0,2,0,0,0,0|2,0,0]=4 339 B13R1.3088 CCC1=CC=C(OC1=O)[C@H](C)CC CNP0432663.1 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.3088 COC(=O)C1=CC=C(C(=C1)O)OC CNP0155987.0 [0,2,0,0,0,0|1,0,1]=4 341 B13R1.3088 COC1=CC=C(C=C1O)[C@@H](O)CO CNP0150126.1 [0,2,0,0,0,0|1,0,0]=3 342 B13R1.3 CC(=O)CCC1=CC=C(C=C1)ON CNP0361857.0 [0,2,0,0,0,0|1,0,0]=3 343 B13R1.3 CC(C)COC1=CC=C(C=C1)C=O CNP0310888.0 [0,2,0,0,0,0|2,0,0]=4 344 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O CNP0457495.0 [0,2,0,0,0,0|1,0,1]=4 345 B13R1.3 CCC1=CC=C(C=C1)COC(=O)C CNP0564625.0 [0,2,0,0,0,0|1,0,1]=4 346 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)C CNP0085604.0 [0,2,0,0,0,0|0,0,2]=4 347 B13R1.3 COC1=CC=C(C=C1)CCC(=O)C CNP0123166.0 [0,2,0,0,0,0|0,0,0]=2 348 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N CNP0592087.0 [0,2,0,0,0,0|0,0,1]=3 349 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O CNP0156617.0 [0,2,0,0,0,0|0,0,1]=3 350 B13R1.3 COC1=CC=C(C=C1)CCN(C)C CNP0223802.0 [0,2,0,0,0,0|0,0,0]=2 351 B13R1.3 COC1=CC=C(C=C1)CC[C@H](C)O CNP0324316.1 [0,2,0,0,0,0|0,0,0]=2 352 B13R1.3 COC1=CC=C(C=C1)CC[N+](=O)[O-] CNP0491242.0 [0,2,0,0,0,0|1,0,0]=3 353 B13R1.3 COC1=CC=C(C=C1)CNC(=O)C CNP0514444.0 [0,2,0,0,0,0|0,0,1]=3 354 B13R1.3 COC1=CC=C(C=C1)COC(=O)C CNP0232581.0 [0,2,0,0,0,0|0,0,1]=3 355 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O CNP0080091.0 [0,2,0,0,0,0|1,0,1]=4 356 B13R1.74 CC(C)C1=CC=C(C=C1)CCC=O CNP0002936.0 [0,2,0,0,0,0|1,0,1]=4 357 B13R1.74 CC(C)C1=CC=C(C=C1)OCCO CNP0548598.0 [0,2,0,0,0,0|2,0,0]=4 358 B13R1.74 CCCCC1=CC=C(C=C1)C(=O)Cl CNP0069306.0 [0,2,0,0,0,0|2,0,0]=4 359 B13R1.74 CCCCC1=CC=C(C=C1)C(=O)O CNP0451250.0 [0,2,0,0,0,0|2,0,0]=4 360 B13R1.74 CCCOC1=CC=C(C=C1)C(=O)O CNP0295278.0 [0,2,0,0,0,0|2,0,0]=4 361 B13R1.74 CCCOC1=CC=C(C=C1)C(C)N CNP0559987.0 [0,2,0,0,0,0|1,0,0]=3 362 B13R1.74 COCCC1=CC=C(C=C1)N(C)C CNP0225724.0 [0,2,0,0,0,0|1,0,0]=3 363 B13R1.77 CCOC1=CC=C(C=C1)C=CCO CNP0418887.0 [0,2,0,0,0,0|0,0,2]=4 364 B13R1.371 C#CC#CCC1=CC=C(C=C1)OC CNP0229994.0 [0,2,0,0,0,0|0,0,2]=4 365 B13R1.371 C=C=CCOC1=CC=C(C=C1)OC CNP0261200.0 [0,2,0,0,0,0|0,0,2]=4 366 B13R1.371 CCCCCC1=CC=C(C=C1)OC CNP0505524.0 [0,2,0,0,0,0|0,0,0]=2 367 B13R1.371 COCC=CC1=CC=C(C=C1)OC CNP0276419.0 [0,2,0,0,0,0|0,0,1]=3 368 B13R1.577 CNCCC1=CC=C(C(=C1)O)OC CNP0506314.0 [0,2,0,0,0,0|0,0,0]=2 369 B13R1.577 COC1=CC=C(C=C1O)C=CCO CNP0270945.0 [0,2,0,0,0,0|0,0,2]=4 370 B13R1.577 COC1=CC=C(C=C1O)CCCO CNP0221328.0 [0,2,0,0,0,0|0,0,0]=2 371 B13R1.388 CC=CC1=CC=C(C(=C1)O)OCC CNP0359595.0 [0,2,0,0,0,0|0,0,2]=4 372 B13R1.1249 C=CCC1=CC=C(C=C1OC)OC CNP0293522.0 [0,2,0,0,0,0|0,0,2]=4 373 B13R1.1249 CC=CC1=CC=C(C=C1OC)OC CNP0296223.0 [0,2,0,0,0,0|0,0,2]=4 374 B13R1.1249 CCCC1=CC=C(C=C1CO)CC CNP0179370.0 [0,2,0,0,0,0|1,0,0]=3 375 B13R1.1249 CCOC1=CC=C(C=C1C=O)OC CNP0274745.0 [0,2,0,0,0,0|1,0,0]=3 376 B13R1.1249 COC1=CC=C(C(=C1)OC)CNN CNP0064688.0 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.3945 CCCC1=C(C=C(OC1=O)CC)O CNP0588941.0 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.386 C=CCC1=CC=C(C(=C1)OC)OC CNP0137352.0 [0,2,0,0,0,0|0,0,2]=4 379 B13R1.386 CC=CC1=CC=C(C(=C1)OC)OC CNP0286991.0 [0,2,0,0,0,0|0,0,2]=4 380 B13R1.386 CCCC1=CC=C(C(=C1)OC)OC CNP0355885.0 [0,2,0,0,0,0|0,0,0]=2 381 B13R1.386 COC1=CC=C(C=C1OC)CC#N CNP0382012.0 [0,2,0,0,0,0|1,0,1]=4 382 B13R1.386 COC1=CC=C(C=C1OC)CC=O CNP0329009.0 [0,2,0,0,0,0|1,0,1]=4 383 B13R1.386 COC1=CC=C(C=C1OC)CCN CNP0332750.0 [0,2,0,0,0,0|1,0,0]=3 384 B13R1.386 COC1=CC=C(C=C1OC)CCO CNP0225714.0 [0,2,0,0,0,0|1,0,0]=3 385 B13R1.4031 CCCC1=CC(=C(C(=O)O1)CC)O CNP0326846.0 [0,2,0,0,0,0|2,0,0]=4 386 B13R1.4031 COC1=C(C=C(C=C1Br)CC#N)Br CNP0170049.0 [0,2,0,0,0,0|1,0,1]=4 387 B13R1.4031 COC1=C(C=C(C=C1Br)CCN)Br CNP0309722.0 [0,2,0,0,0,0|1,0,0]=3 388 B13R1.4031 COC1=C(C=C(C=C1I)CCN)Br CNP0428725.0 [0,2,0,0,0,0|1,0,0]=3 389 B13R1.4031 COC1=C(C=C(C=C1I)CCN)I CNP0225839.0 [0,2,0,0,0,0|1,0,0]=3 390 B13R1.4031 COC1=C(C=C(C=C1O)CCO)O CNP0374339.0 [0,2,0,0,0,0|1,0,0]=3 391 B11R1.13 CCCC1=CC=CC(=C1C)C CNP0310285.0 [0,0,1,1,0,0|1,0,1]=4 392 B11R1.267 CCC1=CC=CC(=C1O)OC CNP0598934.0 [0,0,1,1,0,0|1,0,1]=4 393 B11R2.34 BrC1=CC=C(C=C1)C2CC2 CNP0510546.0 [1,0,0,1,0,0|1,0,0]=3 394 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [1,0,0,1,0,0|0,0,0]=2 395 B11R2.36 CC1=CC=C2CCCC2=N1 CNP0269261.0 [1,0,0,1,0,0|1,0,0]=3 396 B11R2.36 CC1=CN=C2CCCC2=N1 CNP0296530.0 [1,0,0,1,0,0|2,0,0]=4 397 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [1,0,0,1,0,0|0,0,2]=4 398 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [1,0,0,1,0,0|0,0,0]=2 399 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [1,0,0,1,0,0|1,0,0]=3 400 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [1,0,0,1,0,0|1,0,0]=3 401 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [1,0,0,1,0,0|2,0,0]=4 402 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [1,0,0,1,0,0|1,0,1]=4 403 B11R2.190 COC1=CC=C2CCC2=C1 CNP0063591.0 [1,0,0,1,0,0|0,0,0]=2 404 B13R2.16 COC1=CC=C(C=C1)[C@@H]2O[C@H]2C CNP0316606.1 [0,1,0,1,0,0|0,0,0]=2 405 B13R2.184 COC1=CC=C(C=C1)C[C@@H]2CO2 CNP0109830.2 [0,1,0,1,0,0|0,0,0]=2 406 B13R2.184 COC1=CC=C(C=C1)C[C@H]2CO2 CNP0109830.1 [0,1,0,1,0,0|0,0,0]=2 407 B13R2.2121 COC1=CC=C2OC(=CC2=C1)C CNP0292033.0 [0,1,0,1,0,0|1,0,1]=4 408 B13R2.93 COC1=CC=C2C(=C1)C[C@@H]2C#N CNP0029799.1 [0,1,0,1,0,0|1,0,1]=4 409 B13R2.93 COC1=CC=C2C(=C1)C[C@H]2C#N CNP0029799.2 [0,1,0,1,0,0|1,0,1]=4 410 B13R2.2130 COC1=CC=C2C(=O)CCC2=C1 CNP0365392.0 [0,1,0,1,0,0|0,0,1]=3 411 B13R2.57 COC1=CC=C2C=CCOC2=C1 CNP0590753.0 [0,1,0,1,0,0|0,0,2]=4 412 B13R2.57 COC1=CC=C2CCC=CC2=C1 CNP0578027.0 [0,1,0,1,0,0|0,0,1]=3 413 B13R2.57 COC1=CC=C2CCNCC2=C1 CNP0223887.0 [0,1,0,1,0,0|0,0,0]=2 414 B13R2.57 COC1=CC=C2CNCCC2=C1 CNP0279810.0 [0,1,0,1,0,0|0,0,0]=2 415 B13R2.57 COC1=CC=C2OCC=CC2=C1 CNP0140075.0 [0,1,0,1,0,0|0,0,2]=4 416 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 CNP0365179.0 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.449 C=CCC1=CC=C2OCOC2=C1 CNP0320423.0 [0,1,0,1,0,0|0,0,2]=4 418 B13R2.449 C=CC[14C]1=[14CH][14CH]=[14C]2OCO[14C]2=[14CH]1 CNP0508090.0 [0,1,0,1,0,0|0,0,2]=4 419 B13R2.449 CC=CC1=CC=C2OCOC2=C1 CNP0416776.0 [0,1,0,1,0,0|0,0,2]=4 420 B13R2.449 CN=CC1=CC=C2OCOC2=C1 CNP0471034.0 [0,1,0,1,0,0|1,0,1]=4 421 B13R2.449 NCCC1=CC=C2OCOC2=C1 CNP0480168.0 [0,1,0,1,0,0|1,0,0]=3 422 B13R2.449 O=CCC1=CC=C2OCOC2=C1 CNP0277871.0 [0,1,0,1,0,0|1,0,1]=4 423 B13R2.449 OCCC1=CC=C2OCOC2=C1 CNP0131322.0 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [1,0,0,0,1,0|2,0,0]=4 425 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [1,0,0,0,1,0|2,0,0]=4 426 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [1,0,0,0,1,0|2,0,0]=4 427 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [1,0,0,0,1,0|2,0,0]=4