0 B11R1.3 BrCC1=CC=C(C=C1)C(Br)Br CNP0339732.0 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [0,0,0,0,0,0|0,0,2]=2 2 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.3 C=CC1=CC=C(C=C1)[N+](=O)[O-] CNP0552467.0 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.3 CC(C)C1=CC=C(C=C1)C=O CNP0195353.0 [0,0,0,0,0,0|0,0,0]=0 5 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [0,0,0,0,0,0|0,0,2]=2 6 B11R1.3 CC(C)C1=CC=C(CC1)C=O CNP0214622.0 [0,0,0,0,0,0|0,0,2]=2 7 B11R1.3 CC(C)C1=CC=C(CC1)CO CNP0003449.0 [0,0,0,0,0,0|0,0,4]=4 8 B11R1.3 CC(C)C1=CCC(=CC1)C=O CNP0210839.0 [0,0,0,0,0,0|0,0,2]=2 9 B11R1.3 CC(C)C1=CCC(=CC1)CO CNP0359351.0 [0,0,0,0,0,0|0,0,4]=4 10 B11R1.3 CC(C)C1=CCC(CC1)C=O CNP0499268.0 [0,0,0,0,0,0|0,0,4]=4 11 B11R1.3 CC(C)C1C=CC(=CC1)CO CNP0077140.0 [0,0,0,0,0,0|0,0,4]=4 12 B11R1.3 CC(C)[C@@H]1C=CC(=CC1)C=O CNP0111961.1 [0,0,0,0,0,0|0,0,2]=2 13 B11R1.3 CC(C)[C@@H]1CC=C(CC1)C=O CNP0124870.1 [0,0,0,0,0,0|0,0,4]=4 14 B11R1.3 CC(C)[C@H]1CC=C(CC1)C=O CNP0124870.2 [0,0,0,0,0,0|0,0,4]=4 15 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [0,0,0,0,0,0|2,0,1]=3 17 B11R1.3 CN(C)C1=CC=C(C=C1)C=O CNP0077269.0 [0,0,0,0,0,0|1,0,0]=1 18 B11R1.3 CNC1=CC=C(C=C1)N(C)C CNP0587499.0 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [0,0,0,0,0,0|3,0,0]=3 22 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.3 COC1=CN=C(C=N1)C(C)C CNP0044893.0 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [0,0,0,0,0,0|2,0,1]=3 25 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O CNP0575281.0 [0,0,0,0,0,0|2,0,1]=3 26 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O CNP0158402.0 [0,0,0,0,0,0|2,0,1]=3 27 B11R1.3 O=CC1=CC=C(C=C1)[N+](=O)[O-] CNP0489074.0 [0,0,0,0,0,0|3,0,0]=3 28 B11R1.3 O=NC1=CC=C(C=C1)C(=O)O CNP0442117.0 [0,0,0,0,0,0|3,0,1]=4 29 B10R1.3 BrCC1=CC=C(C=C1)CBr CNP0025281.0 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.3 C=CC1=CC=C(C=C1)C=C CNP0540510.0 [1,0,0,0,0,0|1,0,2]=4 31 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [1,0,0,0,0,0|0,0,2]=3 32 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [1,0,0,0,0,0|2,0,0]=3 34 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [1,0,0,0,0,0|2,0,0]=3 35 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [1,0,0,0,0,0|0,0,0]=1 37 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [1,0,0,0,0,0|2,0,1]=4 41 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [1,0,0,0,0,0|1,0,0]=2 42 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [1,0,0,0,0,0|1,1,0]=3 43 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [1,0,0,0,0,0|2,0,1]=4 44 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [1,0,0,0,0,0|1,0,2]=4 45 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [1,0,0,0,0,0|1,0,1]=3 48 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [1,0,0,0,0,0|1,0,0]=2 49 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [1,0,0,0,0,0|0,0,3]=4 50 B10R1.13 C=C1C=C[C@@H](CC1)C(C)C CNP0204388.2 [1,0,0,0,0,0|0,0,3]=4 51 B10R1.13 C=C1C=C[C@H](CC1)C(C)C CNP0204388.1 [1,0,0,0,0,0|0,0,3]=4 52 B10R1.13 C=C1CC=C(CC1)C(C)C CNP0371401.0 [1,0,0,0,0,0|0,0,3]=4 53 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [1,0,0,0,0,0|2,0,1]=4 54 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [1,0,0,0,0,0|1,0,2]=4 55 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [1,0,0,0,0,0|2,0,1]=4 57 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [1,0,0,0,0,0|1,0,2]=4 58 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [1,0,0,0,0,0|1,0,0]=2 59 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [1,0,0,0,0,0|0,0,1]=2 60 B10R1.13 CC(C)C1=CC[C@@H](C=C1)C CNP0316117.2 [1,0,0,0,0,0|0,0,3]=4 61 B10R1.13 CC(C)C1=CC[C@H](C=C1)C CNP0316117.1 [1,0,0,0,0,0|0,0,3]=4 62 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 CNP0293305.1 [1,0,0,0,0,0|0,0,3]=4 63 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 CNP0293305.2 [1,0,0,0,0,0|0,0,3]=4 64 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [1,0,0,0,0,0|1,0,1]=3 65 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [1,0,0,0,0,0|0,0,1]=2 66 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [1,0,0,0,0,0|1,0,1]=3 67 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [1,0,0,0,0,0|1,0,1]=3 68 B10R1.13 CC1=CC=C(C=N1)[C@H](C)N CNP0243226.1 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.13 CC1=CC=C(CC1)C(C)C CNP0178656.0 [1,0,0,0,0,0|0,0,3]=4 70 B10R1.13 CC1=CCC(=CC1)C(C)C CNP0255720.0 [1,0,0,0,0,0|0,0,3]=4 71 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [1,0,0,0,0,0|0,0,3]=4 72 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [1,0,0,0,0,0|0,0,3]=4 73 B10R1.13 CC1=CN=C(C=N1)C(C)C CNP0266332.0 [1,0,0,0,0,0|2,0,1]=4 74 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [1,0,0,0,0,0|1,0,1]=3 76 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [1,0,0,0,0,0|1,0,1]=3 77 B12R1.5 C=CC1=CC=C(C=C1)C(=O)OC CNP0518292.0 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.5 CCC1=CC=C(C=C1)C(O)CO CNP0357223.0 [0,1,0,0,0,0|2,0,1]=4 79 B12R1.5 CC[C@@H](O)C1=CC=C(C=C1)OC CNP0566750.2 [0,1,0,0,0,0|3,0,0]=4 80 B12R1.5 CC[C@H](O)C1=CC=C(C=C1)OC CNP0566750.1 [0,1,0,0,0,0|3,0,0]=4 81 B12R1.5 CN(N=O)C1=CC=C(C=C1)C=O CNP0181128.0 [0,1,0,0,0,0|2,0,0]=3 82 B12R1.5 COC(=O)C1=CC=C(C=C1)C=O CNP0296512.0 [0,1,0,0,0,0|1,0,1]=3 83 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CN CNP0269432.1 [0,1,0,0,0,0|3,0,0]=4 84 B12R1.5 COC1=CC=C(C=C1)[C@@H](O)CO CNP0240871.1 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.6 CC(C)(C)C1=CC=C(C=C1)C=O CNP0374991.0 [0,1,0,0,0,0|0,0,0]=1 86 B12R1.6 CC(C)(C)C1=CC=C(C=C1)CN CNP0350013.0 [0,1,0,0,0,0|1,0,1]=3 87 B12R1.6 CC(C)(O)C1=CC=C(C=C1)CO CNP0568507.0 [0,1,0,0,0,0|0,0,2]=3 88 B12R1.6 COC1=CC=C(C=C1)C(C)(C)O CNP0083065.0 [0,1,0,0,0,0|2,0,0]=3 89 B12R1.6 C[N+](C)(C)C1=CC=C(C=C1)C=O CNP0574788.0 [0,1,0,0,0,0|1,0,0]=2 90 B12R1.48 CC(C)C1=CC=C(C(=C1)O)C=O CNP0136074.0 [0,1,0,0,0,0|0,0,0]=1 91 B12R1.113 CC(C)C1=CC=C(C=C1)C=NO CNP0403827.0 [0,1,0,0,0,0|0,0,1]=2 92 B12R1.113 CC(C)C1=CC=C(C=C1)CC=O CNP0002405.0 [0,1,0,0,0,0|0,0,0]=1 93 B12R1.113 CC(C)C1=CC=C(C=C1)CCO CNP0101568.0 [0,1,0,0,0,0|0,0,2]=3 94 B12R1.113 CCCC1=CC=C(C=C1)C(C)O CNP0532049.0 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.113 CN(C)C1=CC=C(C=C1)C=NO CNP0050062.0 [0,1,0,0,0,0|1,0,1]=3 96 B12R1.256 C=C(C)C1=CC=C(C=C1)C(C)C CNP0084857.0 [0,1,0,0,0,0|1,0,0]=2 97 B12R1.256 C=C(C)C1=CN=C(C=N1)C(C)C CNP0352771.0 [0,1,0,0,0,0|3,0,0]=4 98 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)C CNP0294593.0 [0,1,0,0,0,0|1,0,1]=3 99 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O CNP0089019.0 [0,1,0,0,0,0|1,0,1]=3 100 B12R1.256 CC(=O)C1=CC=C(C=C1)C(C)C CNP0419223.0 [0,1,0,0,0,0|0,0,0]=1 101 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0267334.0 [0,1,0,0,0,0|0,0,0]=1 102 B12R1.256 CC(C)C1=CC=C(C=C1)C(=O)O CNP0541762.0 [0,1,0,0,0,0|0,0,0]=1 103 B12R1.256 CN(C)C1=CC=C(C=C1)C(=O)O CNP0229662.0 [0,1,0,0,0,0|1,0,0]=2 104 B12R1.256 CN(C)C1=CC=C(C=C1)[N+](=O)[O-] CNP0498455.0 [0,1,0,0,0,0|2,0,0]=3 105 B12R1.256 C[S+](C)C1=CC=C(C=C1)[S+](C)C CNP0042891.0 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.256 C[S](C)C1=CC=C(C=C1)[S](C)C CNP0551592.0 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.256 O=C(Cl)C1=CC=C(C=C1)[N+](=O)[O-] CNP0590551.0 [0,1,0,0,0,0|3,0,0]=4 108 B12R1.256 O=C(O)C1=CC=C(C=C1)B(O)O CNP0502328.0 [0,1,0,0,0,0|3,0,0]=4 109 B12R1.256 O=C(O)C1=CC=C(C=C1)C(=O)O CNP0327537.0 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.256 O=C(O)C1=CC=C(C=C1)[N+](=O)[O-] CNP0490961.0 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.452 CC(=C1CCC(=CC1=O)C=O)C CNP0211041.0 [0,1,0,0,0,0|0,0,3]=4 112 B12R1.452 CC(C)C1=CC=C(C=C1O)CO CNP0290057.0 [0,1,0,0,0,0|0,0,2]=3 113 B10R0.77 CC=C(C=O)C=CC=C(C)C CNP0248362.0 [0,0,1,0,0,0|0,0,2]=3 114 B12R2.2107 COC1=CC=C2C(=C1)C[C@@H]2O CNP0048694.1 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.2107 COC1=CC=C2C(=C1)C[C@H]2O CNP0048694.2 [0,0,0,1,0,0|3,0,0]=4 116 B10R1.31 CC(=O)C1=CC=C(O1)C=O CNP0609170.0 [0,0,0,0,1,0|2,0,1]=4 117 B12R1.4 C=CC1=CC=C(C=C1)NC(=O)C CNP0097579.0 [0,0,0,0,0,1|2,0,1]=4 118 B12R1.4 C=CC1=CC=C(C=C1)OC(=O)C CNP0306868.0 [0,0,0,0,0,1|2,0,1]=4 119 B12R1.4 CC(=O)NC1=CC=C(C=C1)C=O CNP0136176.0 [0,0,0,0,0,1|1,0,1]=3 120 B12R1.4 CC(=O)OC1=CC=C(C=C1)C=O CNP0169665.0 [0,0,0,0,0,1|1,0,1]=3 121 B12R1.4 CC(C)OC1=CC=C(C=C1)C=O CNP0241000.0 [0,0,0,0,0,1|0,0,0]=1 122 B12R1.4 CCC1=CC=C(C=C1)CC(C)C CNP0076478.0 [0,0,0,0,0,1|1,0,1]=3 123 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [0,0,0,0,0,1|2,0,1]=4 124 B12R1.4 COC1=CC=C(C=C1)CN(C)C CNP0165442.0 [0,0,0,0,0,1|3,0,0]=4 125 B12R1.4 COC1=CC=C(C=C1)C[C@@H](C)N CNP0382405.1 [0,0,0,0,0,1|3,0,0]=4 126 B9R0.1 C=CC(=CC=CC(C)C)C CNP0086413.0 [1,0,1,0,0,0|0,0,1]=3 127 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [2,0,0,0,0,0|1,0,0]=3 128 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [2,0,0,0,0,0|1,0,1]=4 130 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [2,0,0,0,0,0|0,0,0]=2 131 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [2,0,0,0,0,0|0,0,2]=4 132 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [2,0,0,0,0,0|1,0,0]=3 133 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [2,0,0,0,0,0|1,0,0]=3 134 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [2,0,0,0,0,0|1,0,0]=3 135 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [2,0,0,0,0,0|0,0,1]=3 136 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [2,0,0,0,0,0|1,0,0]=3 137 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [2,0,0,0,0,0|0,0,1]=3 138 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [2,0,0,0,0,0|1,0,1]=4 139 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [2,0,0,0,0,0|1,0,1]=4 140 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [2,0,0,0,0,0|1,0,1]=4 143 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [2,0,0,0,0,0|1,0,1]=4 144 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [2,0,0,0,0,0|1,0,1]=4 146 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [2,0,0,0,0,0|1,0,1]=4 148 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [2,0,0,0,0,0|1,0,0]=3 149 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [2,0,0,0,0,0|1,0,1]=4 152 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [2,0,0,0,0,0|2,0,0]=4 153 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [2,0,0,0,0,0|0,0,2]=4 154 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [2,0,0,0,0,0|1,0,1]=4 155 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [2,0,0,0,0,0|0,0,0]=2 156 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [2,0,0,0,0,0|1,0,0]=3 157 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [2,0,0,0,0,0|0,0,2]=4 158 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [2,0,0,0,0,0|1,0,0]=3 160 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [2,0,0,0,0,0|1,0,0]=3 163 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [2,0,0,0,0,0|1,0,0]=3 164 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [2,0,0,0,0,0|1,0,0]=3 165 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [2,0,0,0,0,0|2,0,0]=4 166 B11R0.150 C=C(CC=C(C)C(=O)O)C(C)C CNP0035097.0 [0,1,1,0,0,0|0,0,2]=4 167 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.83 CC=CC1=CC=C(C=C1)OC CNP0402035.0 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.83 CCOC1=CC=C(C=C1)C=O CNP0125855.0 [1,1,0,0,0,0|0,0,0]=2 171 B11R1.83 CCOC1=CC=C(C=C1)CO CNP0278439.0 [1,1,0,0,0,0|0,0,2]=4 172 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.83 COC1=CC=C(C=C1)C=NN CNP0396597.0 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.83 COC1=CC=C(C=C1)C=NO CNP0150314.0 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [1,1,0,0,0,0|2,0,0]=4 177 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.83 NOC1=CC=C(C=C1)CC=O CNP0170203.0 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.279 CC1=CC(=CC=C1C=O)C=O CNP0301871.0 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.279 CC1=CC(=CC=C1OP)C=O CNP0344714.0 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.279 COC1=CC=C(C(=C1)O)C=O CNP0298651.0 [1,1,0,0,0,0|1,0,0]=3 186 B11R1.279 COC1=CC=C(C=C1Br)C=O CNP0185743.0 [1,1,0,0,0,0|1,0,0]=3 187 B11R1.279 COC1=CC=C(C=C1C)C=O CNP0009035.0 [1,1,0,0,0,0|1,0,0]=3 188 B11R1.279 COC1=CC=C(C=C1Cl)C=O CNP0247895.0 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br CNP0508949.0 [1,1,0,0,0,0|1,0,0]=3 191 B11R1.19 CC1=CC=C(C=C1)C(C)(C)O CNP0300826.0 [1,1,0,0,0,0|0,0,1]=3 192 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [1,1,0,0,0,0|0,0,1]=3 193 B11R1.21 CC1=CC=C(C=C1C)C(C)C CNP0226831.0 [1,1,0,0,0,0|0,0,1]=3 194 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [1,1,0,0,0,0|1,0,1]=4 195 B11R1.21 CC1=CC=C(C=C1O)C(C)C CNP0210919.0 [1,1,0,0,0,0|0,0,1]=3 196 B11R1.21 CC1=CC=C(N=C1C)C(C)C CNP0304301.0 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [1,1,0,0,0,0|0,0,2]=4 198 B11R1.22 CC1=CC=C(C=C1)[C@H](C)CO CNP0229536.1 [1,1,0,0,0,0|0,0,1]=3 199 B11R1.22 CCC(C)C1=CC=C(C=C1)C CNP0084852.0 [1,1,0,0,0,0|0,0,1]=3 200 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [1,1,0,0,0,0|1,0,1]=4 201 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [1,1,0,0,0,0|0,0,1]=3 202 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [1,1,0,0,0,0|0,0,1]=3 203 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [1,1,0,0,0,0|1,0,1]=4 204 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [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 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [1,1,0,0,0,0|0,0,1]=3 208 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [1,1,0,0,0,0|0,0,1]=3 209 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [1,1,0,0,0,0|0,0,1]=3 210 B13R1.36 COC1=CC=C(C=C1)[C@@H](N)C(C)C CNP0331599.2 [0,1,0,0,0,1|2,0,0]=4 211 B13R1.36 COC1=CC=C(C=C1)[C@H](N)C(C)C CNP0331599.1 [0,1,0,0,0,1|2,0,0]=4 212 B13R1.142 CC(C)CC1=CC=C(C=C1)CC#N CNP0313929.0 [0,1,0,0,0,1|1,0,1]=4 213 B13R1.585 CC(=O)NC1=CC=C(C=C1)C(=O)O CNP0270069.0 [0,1,0,0,0,1|1,0,1]=4 214 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)C CNP0141125.0 [0,1,0,0,0,1|1,0,1]=4 215 B13R1.585 CC(=O)OC1=CC=C(C=C1)C(=O)O CNP0307817.0 [0,1,0,0,0,1|1,0,1]=4 216 B13R1.585 CC(C)CC1=CC=C(C=C1)C(=O)O CNP0471633.0 [0,1,0,0,0,1|0,0,0]=2 217 B13R1.585 CC(C)CC1=CC=C(C=C1)[C@H](C)O CNP0358956.1 [0,1,0,0,0,1|0,0,2]=4 218 B13R1.585 CC(C)OC1=CC=C(C=C1)C(=O)O CNP0232023.0 [0,1,0,0,0,1|0,0,0]=2 219 B13R1.585 CC(C)OC1=CC=C(C=N1)C(=O)O CNP0350538.0 [0,1,0,0,0,1|1,0,0]=3 220 B13R1.653 CC(C)OC1=CC=C(C=C1O)CO CNP0438495.0 [0,1,0,0,0,1|0,0,2]=4 221 B13R1.2176 COC1=CC=CC(=CC1=O)C(C)C CNP0320865.0 [0,1,0,0,0,1|2,0,0]=4 222 B13R1.39 CCN(CC)C1=CC=C(C=C1)C=O CNP0196515.0 [0,2,0,0,0,0|1,0,0]=3 223 B13R1.39 COC1=CC=C(C=C1)C(CO)OC CNP0495050.0 [0,2,0,0,0,0|2,0,0]=4 224 B13R1.39 COC1=CC=C(C=C1)C(OC)OC CNP0234292.0 [0,2,0,0,0,0|2,0,0]=4 225 B13R1.537 CC(=O)C1=CC=C(C=C1)[C@H](O)CO CNP0118446.1 [0,2,0,0,0,0|1,0,0]=3 226 B13R1.537 CC[C@@H](C)C1=CC=C(C=C1)C(=O)O CNP0478298.1 [0,2,0,0,0,0|0,0,0]=2 227 B13R1.537 CC[C@H](C)C1=CC=C(C=C1)C(=O)O CNP0478298.2 [0,2,0,0,0,0|0,0,0]=2 228 B13R1.537 CN(C)C1=CC=C(C=C1)C(=NO)Cl CNP0372081.0 [0,2,0,0,0,0|1,0,1]=4 229 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)N CNP0483290.0 [0,2,0,0,0,0|1,0,1]=4 230 B13R1.537 COC(=O)C1=CC=C(C=C1)C(=O)O CNP0165133.0 [0,2,0,0,0,0|1,0,1]=4 231 B13R1.537 O=C(O)C1=CC=C(C=C1)C(=O)CBr CNP0477948.0 [0,2,0,0,0,0|1,0,1]=4 232 B13R1.38 CC(C)(O)C1=CC=C(C(=C1)O)CO CNP0520449.0 [0,2,0,0,0,0|0,0,2]=4 233 B13R1.338 CC(C)(C)C1=CC=C(C=C1)C(=O)O CNP0058800.0 [0,2,0,0,0,0|0,0,0]=2 234 B13R1.338 CC(C)(O)C1=CC=C(C=C1)C(=O)O CNP0313898.0 [0,2,0,0,0,0|0,0,0]=2 235 B13R1.338 CC(C)(O)C1=CC=C(CC1)C(=O)O CNP0122077.0 [0,2,0,0,0,0|0,0,2]=4 236 B13R1.338 CC(C)C1=CC=C(C=C1)C(C)(C)C CNP0283042.0 [0,2,0,0,0,0|1,0,1]=4 237 B13R1.120 CC(=O)C1=CC=C(C=C1O)C(=O)O CNP0605440.0 [0,2,0,0,0,0|1,0,1]=4 238 B13R1.120 CC(C)C1=CC=C(C(=C1)O)C(C)C CNP0389590.0 [0,2,0,0,0,0|1,0,1]=4 239 B13R1.120 CC(C)C1=CC=C(C=C1O)C(=O)O CNP0237614.0 [0,2,0,0,0,0|0,0,0]=2 240 B13R1.120 CC(C)C1=NC=C(C(=O)N1)C(=O)O CNP0398924.0 [0,2,0,0,0,0|2,0,0]=4 241 B13R1.3091 COC1=CC(=CC=C1C=O)C(C)C CNP0328050.0 [0,2,0,0,0,0|0,0,0]=2 242 B13R1.74 CC(C)C1=CC=C(C=C1)CCC=O CNP0002936.0 [0,2,0,0,0,0|0,0,0]=2 243 B13R1.74 CC(C)C1=CC=C(C=C1)OCCO CNP0548598.0 [0,2,0,0,0,0|0,0,2]=4 244 B13R1.74 CN(C)C1=CC=C(C=C1)C=CC=O CNP0520789.0 [0,2,0,0,0,0|1,0,0]=3 245 B13R1.99 COC1=CC(=CC=C1C(C)C)C=O CNP0565495.0 [0,2,0,0,0,0|0,0,0]=2 246 B13R1.99 COC1=CC(=CC=C1C(C)C)CO CNP0327020.0 [0,2,0,0,0,0|0,0,2]=4 247 B11R1.43 CC(C)CC1=CC=C(N1)C=O CNP0372474.0 [0,0,1,1,0,0|1,0,1]=4 248 B11R1.565 CC(C)C1=CC=CC(=O)C=C1 CNP0424734.0 [0,0,1,1,0,0|2,0,0]=4 249 B11R1.159 CC(C)C1=CC=CC(=C1O)O CNP0066936.0 [0,0,1,1,0,0|1,0,1]=4 250 B11R1.159 CC1=C(C=CC=C1C(C)C)O CNP0487698.0 [0,0,1,1,0,0|0,0,2]=4 251 B11R1.159 CC1=CC=CC(=C1N)C(C)C CNP0611703.0 [0,0,1,1,0,0|2,0,0]=4 252 B11R2.190 COC1=CC=C2CCC2=C1 CNP0063591.0 [1,0,0,1,0,0|2,0,0]=4 253 B11R2.34 BrC1=CC=C(C=C1)C2CC2 CNP0510546.0 [1,0,0,1,0,0|1,0,0]=3 254 B13R2.430 CC(N)C1=CC=C2NC=CC2=C1 CNP0164913.0 [0,1,0,1,0,0|2,0,0]=4 255 B13R2.428 O=[N+]([O-])C1=CC=C(C=C1)[C@@H]2CO2 CNP0487726.2 [0,1,0,1,0,0|2,0,0]=4 256 B13R2.428 O=[N+]([O-])C1=CC=C(C=C1)[C@H]2CO2 CNP0487726.1 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.21 CCC1=CC=C(O1)C=O CNP0610543.0 [1,0,0,0,1,0|1,0,0]=3 258 B9R1.21 CCC1=CNC(=C1)C=O CNP0109135.0 [1,0,0,0,1,0|1,0,0]=3 259 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [1,0,0,0,1,0|2,0,0]=4 260 B9R1.21 O=CC1=CC(=CO1)CO CNP0105622.0 [1,0,0,0,1,0|2,0,0]=4 261 B9R1.21 O=CC1=CC=C(N1)CO CNP0146563.0 [1,0,0,0,1,0|2,0,0]=4 262 B9R1.21 O=CC1=CC=C(O1)CO CNP0222574.0 [1,0,0,0,1,0|2,0,0]=4 263 B9R1.35 CC(C)C1=CC(=O)CC1 CNP0206297.0 [1,0,0,0,1,0|0,0,2]=4 264 B9R1.35 CC(C)C1=CC(=O)OC1 CNP0608486.0 [1,0,0,0,1,0|1,0,1]=4 265 B9R1.35 CC(C)[C@H]1C=CC(=O)N1 CNP0479799.1 [1,0,0,0,1,0|1,0,1]=4 266 B9R1.35 CC(C)[C@H]1C=CC(=O)O1 CNP0264367.1 [1,0,0,0,1,0|1,0,1]=4 267 B9R1.35 CC1=CC=C(O1)C(C)C CNP0259912.0 [1,0,0,0,1,0|1,0,1]=4 268 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [1,0,0,0,0,1|1,0,1]=4 269 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [1,0,0,0,0,1|0,0,1]=3 270 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [1,0,0,0,0,1|2,0,0]=4 271 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [1,0,0,0,0,1|0,0,1]=3 272 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [1,0,0,0,0,1|1,0,1]=4 273 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [1,0,0,0,0,1|1,0,1]=4 274 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O CNP0357224.0 [0,0,0,0,1,1|1,0,1]=4 275 B11R1.266 CC(C)C1=CC=CC(=C1)C=O CNP0572774.0 [0,0,0,0,1,1|0,0,0]=2 276 B13R1.3 CC(C)COC1=CC=C(C=C1)C=O CNP0310888.0 [0,0,0,0,0,2|0,0,0]=2