0 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [0,0,0,0,0,0|0,0,2]=2 2 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [0,0,0,0,0,0|0,0,0]=0 8 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.4 CSSC1=CC=CC=[N+]1[O-] CNP0574687.0 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [0,0,0,0,0,0|1,0,1]=2 14 B10R1.4 N#CC[N+]1=CC=CC=C1Br CNP0534465.0 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.4 NNC=C1C=CC=CC1=O CNP0076151.0 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,0,0,0,0,0|0,0,2]=3 24 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,0,0,0,0,0|1,0,2]=4 26 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,0,0,0,0,0|0,0,2]=3 27 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,0,0,0,0,0|1,0,2]=4 28 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,0,0,0,0,0|0,0,0]=1 29 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,0,0,0,0,0|1,0,0]=2 31 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,0,0,0,0,0|1,0,1]=3 44 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,0,0,0,0,0|1,0,1]=3 47 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,0,0,0,0,0|2,0,1]=4 54 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,0,0,0,0,0|1,0,2]=4 57 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,0,0,0,0,0|0,0,2]=3 58 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,0,0,0,0,0|1,0,0]=2 66 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,0,0,0,0,0|0,0,0]=1 68 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,0,0,0,0,0|0,1,0]=2 69 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [1,0,0,0,0,0|1,0,2]=4 77 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,0,0,0,0,0|2,0,1]=4 83 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,0,0,0,0,0|2,0,0]=3 84 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,0,0,0,0,0|1,0,1]=3 88 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,0,0,0,0,0|2,0,0]=3 89 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,0,0,0,0,0|1,0,0]=2 90 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [1,0,0,0,0,0|2,0,1]=4 92 B11R1.13 C=CCC1=CC=CC(=C1O)C CNP0326275.0 [0,1,0,0,0,0|0,0,2]=3 93 B11R1.13 C=CCC1=CC=CC(=C1O)O CNP0228309.0 [0,1,0,0,0,0|0,0,2]=3 94 B11R1.13 CCCC1=CC=CC(=C1C)C CNP0310285.0 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.13 CCCC1=CC=CC(=C1O)O CNP0519779.0 [0,1,0,0,0,0|0,0,0]=1 96 B11R1.13 CCOC1=CC=CC(=C1C)C CNP0186598.0 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.13 CCOC1=CC=CC(=C1C)O CNP0350443.0 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.17 C=CCOC1=CC=CC=C1O CNP0343485.0 [0,1,0,0,0,0|0,0,2]=3 99 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.17 CC1=CC=CC=C1CSC#N CNP0032875.0 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [0,1,0,0,0,0|0,0,0]=1 103 B11R1.17 CCCCC1=NC=CN=C1C CNP0504443.0 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [0,1,0,0,0,0|0,0,0]=1 105 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,1,0,0,0,0|0,0,0]=1 106 B11R1.17 N#CCCC1=CC=CC=C1O CNP0332973.0 [0,1,0,0,0,0|0,0,1]=2 107 B11R1.17 N#CCCN1C=CC=CC1=O CNP0136265.0 [0,1,0,0,0,0|1,0,2]=4 108 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [0,1,0,0,0,0|0,0,3]=4 109 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [0,1,0,0,0,0|0,0,0]=1 110 B11R1.41 C=CC1=CN=CC=C1CCO CNP0267884.0 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.41 CCOC1=CC=CC=C1C=O CNP0187800.0 [0,1,0,0,0,0|1,0,1]=3 112 B11R1.41 CCOC1=CC=CC=C1OC CNP0003445.0 [0,1,0,0,0,0|1,0,0]=2 113 B11R1.41 COC1=CC=CC=C1CCO CNP0135812.0 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.41 O=CCC1=CC=CC=C1N=O CNP0200074.0 [0,1,0,0,0,0|1,0,2]=4 115 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [0,1,0,0,0,0|0,0,2]=3 116 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [0,1,0,0,0,0|0,0,2]=3 117 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [0,1,0,0,0,0|0,0,0]=1 119 B11R1.81 CCCC1=NC=C(N=C1C)C CNP0325666.0 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.81 CCOC1=CC=C(C=C1Br)Br CNP0017924.0 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.81 CNCC1=CC=C(C=C1O)Cl CNP0445122.0 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.81 N#CCC1=CC=C(C=C1O)O CNP0137512.0 [0,1,0,0,0,0|1,0,1]=3 123 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [0,1,0,0,0,0|1,0,0]=2 124 B11R1.86 CC(=O)C[N+]1=CC=CC=C1Br CNP0514161.0 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.86 CC(=O)C[N+]1=CC=CC=C1N CNP0557788.0 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [0,1,0,0,0,0|0,0,0]=1 133 B11R1.86 CC(C)OC1=CC=CC=C1O CNP0590959.0 [0,1,0,0,0,0|1,0,0]=2 134 B11R1.86 CC1=NC=CN=C1CC(C)C CNP0076943.0 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.182 C=CCC1=CC(=CC=C1O)C CNP0574196.0 [0,1,0,0,0,0|0,0,2]=3 138 B11R1.182 CCCC1=CC(=CC=C1C)C CNP0284162.0 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.182 CCCC1=CC(=O)C=CC1=O CNP0227837.0 [0,1,0,0,0,0|0,0,1]=2 140 B11R1.182 CCCC1=NC(=CN=C1C)C CNP0203627.0 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.182 CCOC1=CC(=CC=C1C)C CNP0288250.0 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.182 CCOC1=CC(=O)C=CC1=O CNP0125200.0 [0,1,0,0,0,0|1,0,1]=3 143 B11R1.182 COCC1=CC(=CC=C1O)O CNP0113294.0 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,1,0,0,0,0|1,0,1]=3 145 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [0,1,0,0,0,0|0,0,0]=1 146 B11R1.222 CCC(C)C1=NN=CC=C1C CNP0391366.0 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [0,1,0,0,0,0|2,0,1]=4 148 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [0,1,0,0,0,0|2,0,1]=4 149 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [0,1,0,0,0,0|1,0,1]=3 150 B11R1.222 O=C(NO)C1=CC=CC=C1O CNP0106659.0 [0,1,0,0,0,0|2,0,1]=4 151 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.605 CCCC1=C(C=CC=C1C)C CNP0181300.0 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.605 CCCC1=C(C=CC=C1O)C CNP0602938.0 [0,1,0,0,0,0|0,0,0]=1 154 B11R1.605 CCOC1=C(C=CC=C1C)C CNP0305995.0 [0,1,0,0,0,0|2,0,0]=3 155 B9R0.18 CCCCC(=O)C=CC=O CNP0505457.0 [0,0,1,0,0,0|1,0,2]=4 156 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,0,1,0,0,0|1,0,1]=3 157 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [0,0,1,0,0,0|1,0,2]=4 158 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,0,1,0,0,0|0,0,2]=3 159 B9R0.45 CCCCC=CC=CCO CNP0116173.0 [0,0,1,0,0,0|0,0,2]=3 160 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [0,0,0,1,0,0|1,0,2]=4 161 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [0,0,0,1,0,0|0,0,2]=3 162 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [0,0,0,1,0,0|0,1,2]=4 163 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [0,0,0,1,0,0|1,0,1]=3 164 B11R2.10 CC1=NC2=CC=CC=C2S1 CNP0308312.0 [0,0,0,1,0,0|1,1,1]=4 165 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 CNP0247446.2 [0,0,0,1,0,0|1,0,0]=2 166 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 CNP0247446.1 [0,0,0,1,0,0|1,0,0]=2 167 B11R2.10 NC1N=C2C=CC=CC2=N1 CNP0551508.0 [0,0,0,1,0,0|3,0,0]=4 168 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [0,0,0,1,0,0|2,0,1]=4 169 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,0,0,1,0,0|1,0,1]=3 170 B11R2.10 O=C1NC2=CC=CC=C2O1 CNP0175268.0 [0,0,0,1,0,0|2,0,1]=4 171 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [0,0,0,1,0,0|2,0,1]=4 172 B11R2.10 OC1=NC2=CC=CC=C2O1 CNP0479137.0 [0,0,0,1,0,0|2,0,1]=4 173 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [0,0,0,1,0,0|1,0,1]=3 174 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [0,0,0,1,0,0|2,0,1]=4 175 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [0,0,0,1,0,0|0,0,2]=3 176 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [0,0,0,1,0,0|1,0,0]=2 177 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [0,0,0,1,0,0|2,0,0]=3 178 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [0,0,0,1,0,0|1,0,0]=2 179 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [0,0,0,1,0,0|1,0,0]=2 180 B11R2.20 C1=CCC2=C(C1)CCCC2 CNP0252547.0 [0,0,0,1,0,0|1,0,2]=4 181 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [0,0,0,1,0,0|2,0,0]=3 182 B11R2.20 C1=CN=C2CCCCC2=N1 CNP0281907.0 [0,0,0,1,0,0|3,0,0]=4 183 B11R2.55 CC1=CC=CC=C1C2CO2 CNP0595816.0 [0,0,0,1,0,0|2,0,0]=3 184 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [0,0,0,1,0,0|2,0,1]=4 185 B11R2.106 CC1=CC=CC2=C1C=CC2 CNP0382837.0 [0,0,0,1,0,0|1,0,2]=4 186 B11R2.106 CC1=CC=CC2=C1CCC2 CNP0306723.0 [0,0,0,1,0,0|1,0,0]=2 187 B11R2.106 NC1=CC=CC2=C1OCO2 CNP0040687.0 [0,0,0,1,0,0|3,0,0]=4 188 B11R2.106 NC1=NC=NC2=C1CCC2 CNP0358774.0 [0,0,0,1,0,0|3,0,0]=4 189 B11R2.106 OC1=CC=CC2=C1C=CN2 CNP0120975.0 [0,0,0,1,0,0|1,0,2]=4 190 B11R2.106 OC1=CC=CC2=C1C=CO2 CNP0278370.0 [0,0,0,1,0,0|1,0,2]=4 191 B11R2.106 OC1=CC=CC2=C1CCC2 CNP0204315.0 [0,0,0,1,0,0|0,0,0]=1 192 B11R2.106 OC1=CC=CC2=C1N=NN2 CNP0295607.0 [0,0,0,1,0,0|3,0,0]=4 193 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [0,0,0,1,0,0|1,0,2]=4 194 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [0,0,0,1,0,0|1,0,2]=4 195 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [0,0,0,1,0,0|2,0,1]=4 196 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [0,0,0,1,0,0|2,0,1]=4 197 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,0,1,0,0,0|0,0,2]=4 198 B8R0.4 CCC=CC=CCCO CNP0339953.0 [1,0,1,0,0,0|0,0,2]=4 199 B8R0.4 CCC=CCC=CCO CNP0338368.0 [1,0,1,0,0,0|0,0,2]=4 200 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,0,1,0,0,0|0,0,1]=3 201 B8R0.4 CCCC=CC=CCO CNP0175481.0 [1,0,1,0,0,0|0,0,1]=3 202 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|0,0,2]=4 203 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|0,0,2]=4 204 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|0,0,0]=2 205 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|1,0,0]=3 206 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|1,0,0]=3 207 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [2,0,0,0,0,0|2,0,0]=4 208 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|1,0,0]=3 209 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 210 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|1,0,0]=3 211 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|2,0,0]=4 212 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|2,0,0]=4 213 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|1,0,1]=4 214 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|1,0,0]=3 215 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|1,0,0]=3 216 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|1,0,1]=4 217 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|1,0,0]=3 218 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [2,0,0,0,0,0|2,0,0]=4 219 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 220 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|2,0,0]=4 221 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|1,0,1]=4 222 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|2,0,0]=4 223 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|1,0,0]=3 224 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [2,0,0,0,0,0|2,0,0]=4 225 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [2,0,0,0,0,0|2,0,0]=4 226 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|1,0,1]=4 227 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|1,0,0]=3 228 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [2,0,0,0,0,0|2,0,0]=4 229 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [2,0,0,0,0,0|2,0,0]=4 230 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|1,0,0]=3 231 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|0,0,1]=3 232 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [2,0,0,0,0,0|1,0,1]=4 233 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [2,0,0,0,0,0|1,0,0]=3 234 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [2,0,0,0,0,0|1,0,0]=3 235 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [2,0,0,0,0,0|1,0,0]=3 236 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [2,0,0,0,0,0|1,0,0]=3 237 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [2,0,0,0,0,0|0,0,0]=2 238 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [2,0,0,0,0,0|0,1,0]=3 239 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [2,0,0,0,0,0|1,0,1]=4 241 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [2,0,0,0,0,0|2,0,0]=4 246 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [2,0,0,0,0,0|1,0,0]=3 247 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [2,0,0,0,0,0|2,0,0]=4 248 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [2,0,0,0,0,0|2,0,0]=4 249 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [2,0,0,0,0,0|2,0,0]=4 250 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [2,0,0,0,0,0|1,0,0]=3 251 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [2,0,0,0,0,0|1,1,0]=4 252 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [2,0,0,0,0,0|1,0,1]=4 253 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [2,0,0,0,0,0|1,0,1]=4 254 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [2,0,0,0,0,0|1,0,0]=3 259 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [2,0,0,0,0,0|1,0,0]=3 260 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [2,0,0,0,0,0|1,0,0]=3 261 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [2,0,0,0,0,0|2,0,0]=4 262 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [2,0,0,0,0,0|1,0,0]=3 266 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [2,0,0,0,0,0|1,0,0]=3 267 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [0,1,1,0,0,0|0,0,1]=3 268 B10R0.71 C=CC=CC=CC=CCCC CNP0533650.0 [0,1,1,0,0,0|1,0,0]=3 269 B10R0.71 C=CC=CC=CCC=CCC CNP0265258.0 [0,1,1,0,0,0|1,0,1]=4 270 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [0,1,1,0,0,0|1,0,1]=4 271 B10R0.71 CC=CC=CC=CC=CCC CNP0259924.0 [0,1,1,0,0,0|1,0,1]=4 272 B10R0.71 CCC=CCC=CC=CC=O CNP0218571.0 [0,1,1,0,0,0|0,0,2]=4 273 B10R0.71 CCCC=CC#CC=CC=O CNP0198876.0 [0,1,1,0,0,0|0,0,2]=4 274 B10R0.71 CCCC=CC#CC=CCO CNP0251903.0 [0,1,1,0,0,0|0,0,2]=4 275 B10R0.71 CCCC=CC=CC=CC=O CNP0254446.0 [0,1,1,0,0,0|0,0,1]=3 276 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [0,1,1,0,0,0|0,0,2]=4 277 B10R0.71 CCCCCC=CC=CCO CNP0002926.0 [0,1,1,0,0,0|0,0,2]=4 278 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [1,1,0,0,0,0|0,0,2]=4 279 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [1,1,0,0,0,0|0,0,2]=4 280 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [1,1,0,0,0,0|1,0,1]=4 281 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [1,1,0,0,0,0|0,0,2]=4 282 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [1,1,0,0,0,0|0,0,2]=4 283 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [1,1,0,0,0,0|0,0,0]=2 284 B10R1.1 CCCC1=CN=C(C=N1)C CNP0002574.0 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.1 CCCN1C=CC(=N)C=C1 CNP0126576.0 [1,1,0,0,0,0|1,0,0]=3 286 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [1,1,0,0,0,0|1,0,0]=3 291 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [1,1,0,0,0,0|1,0,1]=4 292 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [1,1,0,0,0,0|1,0,1]=4 294 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [1,1,0,0,0,0|1,0,0]=3 295 B10R1.10 CC1=CC=CC(=C1)CC#N CNP0583461.0 [1,1,0,0,0,0|1,0,1]=4 296 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|0,0,0]=2 297 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|0,0,0]=2 298 B10R1.10 CCCC1=CC=CC(=O)O1 CNP0334569.0 [1,1,0,0,0,0|1,0,0]=3 299 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [1,1,0,0,0,0|1,0,0]=3 300 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|1,0,0]=3 302 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|1,0,0]=3 304 B10R1.15 C#CC(O)C1=CC=CC=C1 CNP0086091.0 [1,1,0,0,0,0|0,0,2]=4 305 B10R1.15 C=CC(O)C1=CC=CC=C1 CNP0085682.0 [1,1,0,0,0,0|0,0,2]=4 306 B10R1.15 CC(C=O)C1=CC=CC=C1 CNP0070168.0 [1,1,0,0,0,0|1,0,1]=4 307 B10R1.15 CC(NN)C1=CC=CC=C1 CNP0480531.0 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.15 CC=C(C)C1=CC=CC=C1 CNP0250835.0 [1,1,0,0,0,0|0,0,2]=4 309 B10R1.15 CCC(=O)C1=CC=CC=C1 CNP0320895.0 [1,1,0,0,0,0|0,0,1]=3 310 B10R1.15 CCC(=O)C1=CC=CN=C1 CNP0114571.0 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.15 CCC(C)C1=CC=CC=C1 CNP0037599.0 [1,1,0,0,0,0|0,0,0]=2 312 B10R1.15 CCC(C)C1=CN=CC=N1 CNP0519520.0 [1,1,0,0,0,0|2,0,0]=4 313 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 CNP0437980.1 [1,1,0,0,0,0|0,0,0]=2 314 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 CNP0333746.1 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.15 CC[C@H](N)C1=CC=CC=C1 CNP0437980.2 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.15 CNC(=O)C1=CC=CC=C1 CNP0491778.0 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.15 CNC(C)C1=CC=CC=C1 CNP0515964.0 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.15 COC(=O)C1=CC=CC=C1 CNP0233777.0 [1,1,0,0,0,0|1,0,1]=4 319 B10R1.15 CO[C@H](C)C1=CC=CC=C1 CNP0170205.1 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.15 CSC(=O)C1=CC=CC=C1 CNP0351124.0 [1,1,0,0,0,0|1,0,1]=4 321 B10R1.15 C[C@@H](C#N)C1=CC=CC=C1 CNP0213613.2 [1,1,0,0,0,0|1,0,1]=4 322 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 CNP0177539.1 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.15 C[C@@H](N=N)C1=CC=CC=C1 CNP0257341.1 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.15 C[C@H](C#N)C1=CC=CC=C1 CNP0213613.1 [1,1,0,0,0,0|1,0,1]=4 325 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 CNP0193863.2 [1,1,0,0,0,0|1,0,1]=4 326 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 CNP0193863.1 [1,1,0,0,0,0|1,0,1]=4 327 B10R1.15 NCC(=O)C1=CC=CC=C1 CNP0357301.0 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CNP0107878.1 [1,1,0,0,0,0|1,0,0]=3 329 B10R1.15 NC[C@H](O)C1=CC=CC=C1 CNP0107878.2 [1,1,0,0,0,0|1,0,0]=3 330 B10R1.15 O=C(CBr)C1=CC=CC=C1 CNP0204252.0 [1,1,0,0,0,0|1,0,1]=4 331 B10R1.15 O=C(CO)C1=CC=CC=C1 CNP0334071.0 [1,1,0,0,0,0|1,0,1]=4 332 B10R1.15 O=C[C@H](O)C1=CC=CC=C1 CNP0556372.1 [1,1,0,0,0,0|1,0,1]=4 333 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 CNP0106512.1 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.15 OC[C@H](O)C1=CC=CC=C1 CNP0106512.2 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 CNP0028950.2 [1,1,0,0,0,0|1,0,0]=3 336 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 CNP0028950.1 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,1,0,0,0,0|0,0,1]=3 338 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [1,1,0,0,0,0|0,0,2]=4 339 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [1,1,0,0,0,0|0,0,2]=4 340 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,1,0,0,0,0|0,0,1]=3 341 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,1,0,0,0,0|0,0,1]=3 342 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.17 CCCSC1=CC=NC=C1 CNP0522947.0 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,1,0,0,0,0|0,0,0]=2 348 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,1,0,0,0,0|0,0,0]=2 349 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,1,0,0,0,0|0,0,0]=2 350 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,1,0,0,0,0|0,0,0]=2 352 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,1,0,0,0,0|1,0,0]=3 356 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [1,1,0,0,0,0|0,0,1]=3 357 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [1,1,0,0,0,0|1,0,1]=4 358 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,1,0,0,0,0|0,0,2]=4 359 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,1,0,0,0,0|0,0,0]=2 360 B10R1.17 NCCOC1=CC=CC=N1 CNP0468320.0 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [1,1,0,0,0,0|1,0,1]=4 363 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,1,0,0,0,0|0,0,1]=3 364 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,1,0,0,0,0|1,0,1]=4 365 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,1,0,0,0,0|1,0,1]=4 366 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [1,1,0,0,0,0|0,0,2]=4 367 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,1,0,0,0,0|0,0,2]=4 368 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,1,0,0,0,0|0,0,0]=2 369 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [1,1,0,0,0,0|1,0,1]=4 372 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [1,1,0,0,0,0|1,0,1]=4 373 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [1,1,0,0,0,0|1,0,1]=4 374 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [1,1,0,0,0,0|0,0,1]=3 375 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [1,1,0,0,0,0|0,0,2]=4 376 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [1,1,0,0,0,0|0,0,1]=3 378 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [1,1,0,0,0,0|1,0,1]=4 379 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [1,1,0,0,0,0|1,0,1]=4 380 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [1,1,0,0,0,0|0,0,0]=2 382 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [1,1,0,0,0,0|1,0,0]=3 383 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [1,1,0,0,0,0|1,0,0]=3 384 B10R1.18 CC(C)CC1=CN=CC=N1 CNP0525253.0 [1,1,0,0,0,0|2,0,0]=4 385 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [1,1,0,0,0,0|0,0,0]=2 388 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [1,1,0,0,0,0|0,0,0]=2 389 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [1,1,0,0,0,0|1,0,0]=3 390 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [1,1,0,0,0,0|1,0,1]=4 392 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [1,1,0,0,0,0|1,0,1]=4 393 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [1,1,0,0,0,0|1,0,1]=4 394 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [1,1,0,0,0,0|1,0,1]=4 395 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [1,1,0,0,0,0|1,0,1]=4 396 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [1,1,0,0,0,0|1,0,1]=4 397 B10R1.2 C#[N+]C1=CC=CC(=C1O)N CNP0440267.0 [1,1,0,0,0,0|1,0,1]=4 398 B10R1.2 CCC1=C(C(=O)C=CO1)O CNP0197022.0 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [1,1,0,0,0,0|1,0,0]=3 400 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [1,1,0,0,0,0|0,0,0]=2 401 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [1,1,0,0,0,0|0,0,0]=2 402 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.2 COC1=CC=CC(=C1N)C CNP0448107.0 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.2 COC1=CC=CC(=O)C1=O CNP0358042.0 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.2 O=C1C=COC(=C1O)CO CNP0298786.0 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.2 O=CC1=CC=CC(=C1O)O CNP0104242.0 [1,1,0,0,0,0|1,0,1]=4 409 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [1,1,0,0,0,0|0,0,2]=4 412 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [1,1,0,0,0,0|0,0,1]=3 413 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [1,1,0,0,0,0|0,0,0]=2 415 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [1,1,0,0,0,0|0,0,0]=2 416 B10R1.20 CCC1=NC=CN=C1OC CNP0002552.0 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [1,1,0,0,0,0|1,0,1]=4 418 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [1,1,0,0,0,0|1,0,0]=3 422 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [1,1,0,0,0,0|1,0,0]=3 423 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [1,1,0,0,0,0|1,0,0]=3 424 B10R1.20 N#CC1=CC=CC=C1CBr CNP0046063.0 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.20 SCC1=CC=CC=C1CS CNP0028178.0 [1,1,0,0,0,0|1,1,0]=4 426 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [1,1,0,0,0,0|0,0,2]=4 427 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [1,1,0,0,0,0|1,0,1]=4 430 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,1,0,0,0,0|0,0,0]=2 432 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,1,0,0,0,0|0,0,0]=2 433 B10R1.25 CCC1=CN=C(N=C1O)O CNP0514605.0 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [1,1,0,0,0,0|2,0,0]=4 437 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,1,0,0,0,0|1,0,0]=3 442 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [1,1,0,0,0,0|0,0,0]=2 449 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [1,1,0,0,0,0|0,0,0]=2 450 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [1,1,0,0,0,0|0,0,1]=3 451 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.30 CCN1C=C(C=CC1=O)Br CNP0062545.0 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [1,1,0,0,0,0|1,0,1]=4 459 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.30 O=C1C=C(C(=CO1)O)CO CNP0349514.0 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,1,0,0,0,0|0,0,1]=3 469 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,1,0,0,0,0|0,0,0]=2 470 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [1,1,0,0,0,0|0,1,0]=3 471 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [1,1,0,0,0,0|1,0,1]=4 474 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,1,0,0,0,0|1,0,1]=4 475 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [1,1,0,0,0,0|1,0,1]=4 476 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.245 CNC1=C(C=CC=C1C)C CNP0282095.0 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.245 COC1=C(C=CC=C1Br)Br CNP0017925.0 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.245 COC1=C(C=CC=C1Cl)Cl CNP0143389.0 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.245 COC1=C(C=CC=C1O)O CNP0193285.0 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.29 CC1=COC=C1CCCO CNP0206041.0 [0,1,0,0,1,0|2,0,0]=4 489 B10R1.94 CCCC1=C(C(=O)CC1)O CNP0414058.0 [0,1,0,0,1,0|0,0,2]=4 490 B12R1.210 CC(C)NC1=CC=CC=CC1=O CNP0242817.0 [0,1,0,0,0,1|1,0,1]=4 491 B12R1.24 COC(=O)C1=CC=CC(=C1O)O CNP0158183.0 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.25 CCCCC1=CC=CC(=C1O)C CNP0087721.0 [0,2,0,0,0,0|0,0,0]=2 493 B12R1.25 OCCCC1=CC=CC(=C1O)O CNP0276683.0 [0,2,0,0,0,0|0,0,0]=2 494 B12R1.40 CCOC1=CC(=O)C=C(C1=O)C CNP0216915.0 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.40 COCC1=CC(=CC(=C1O)Cl)O CNP0216728.0 [0,2,0,0,0,0|1,0,0]=3 496 B12R1.224 C[C@H](O)CC1=CC=CC(=C1O)O CNP0207246.1 [0,2,0,0,0,0|0,0,0]=2 497 B12R1.280 C=CCC1=CC=CC(=C1O)OC CNP0181574.0 [0,2,0,0,0,0|0,0,2]=4 498 B12R1.280 CCCC1=CC=CC(=C1O)OC CNP0604349.0 [0,2,0,0,0,0|0,0,0]=2 499 B12R1.280 CNCC1=CC=CC(=C1O)OC CNP0545816.0 [0,2,0,0,0,0|1,0,0]=3 500 B12R1.497 COCC1=C(C=NC(=C1O)C)C CNP0114344.0 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.542 C=CCC1=CC=CC(=C1OC)O CNP0589012.0 [0,2,0,0,0,0|0,0,2]=4 502 B12R1.542 CC=CC1=CC=CC(=C1CO)O CNP0380536.0 [0,2,0,0,0,0|0,0,2]=4 503 B12R1.542 CC=CC1=CC=CC(=C1OC)O CNP0531803.0 [0,2,0,0,0,0|0,0,2]=4 504 B12R1.542 CCCC1=CC=CC(=C1CO)O CNP0514197.0 [0,2,0,0,0,0|0,0,0]=2 505 B12R1.69 CCCCC1=C(OC(=O)C=C1)C CNP0332727.0 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.69 NC1=CC=C(C(=C1)N)OCCO CNP0611677.0 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,2,0,0,0,0|0,0,2]=4 508 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,2,0,0,0,0|0,0,0]=2 509 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0497682.0 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0512452.0 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,2,0,0,0,0|1,0,1]=4 512 B12R1.125 CC(C)CCC1=CC=CC=C1O CNP0504507.0 [0,2,0,0,0,0|0,0,0]=2 513 B12R1.125 CC(C)COC1=CC=CC=C1N CNP0436425.0 [0,2,0,0,0,0|1,0,0]=3 514 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [0,2,0,0,0,0|0,0,1]=3 515 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [0,2,0,0,0,0|0,0,1]=3 516 B12R1.267 CCCCOC1=CC=CC=C1N CNP0241644.0 [0,2,0,0,0,0|1,0,0]=3 517 B12R1.308 CCOC(=O)C1=CC=CC=C1N CNP0071170.0 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.308 CCOC(=O)C1=CC=CC=C1O CNP0169358.0 [0,2,0,0,0,0|0,0,1]=3 519 B12R1.308 CCO[P@H](=O)C1=CC=CC=C1O CNP0454157.1 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.308 NCCC(=O)C1=CC=CC=C1N CNP0017946.0 [0,2,0,0,0,0|1,0,1]=4 521 B12R1.371 CC1=CC=CC=C1CC(C)C=O CNP0002505.0 [0,2,0,0,0,0|1,0,0]=3 522 B12R1.371 COC(=O)CC1=CC=CC=C1O CNP0205970.0 [0,2,0,0,0,0|0,0,1]=3 523 B12R1.371 O=C(CO)NC1=CC=CC=C1O CNP0547732.0 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.374 CCCCC1=CC(=CC=C1C)O CNP0421010.0 [0,2,0,0,0,0|1,0,0]=3 525 B12R1.374 CCCCN1C=C(C=CC1=O)Br CNP0046432.0 [0,2,0,0,0,0|1,0,1]=4 526 B12R1.374 CCCCN1C=C(C=CC1=O)Cl CNP0037716.0 [0,2,0,0,0,0|1,0,1]=4 527 B12R1.75 COC1=CC=CC=C1CC(=O)C CNP0594983.0 [0,2,0,0,0,0|0,0,1]=3 528 B12R1.75 COC1=CC=CC=C1NC(=O)C CNP0070988.0 [0,2,0,0,0,0|1,0,1]=4 529 B12R1.75 COC1=CC=CC=C1OC(=O)C CNP0214774.0 [0,2,0,0,0,0|1,0,1]=4 530 B12R1.75 COC1=NC=CN=C1CC(C)C CNP0323882.0 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.77 CCC(=O)C1=CC=CC=C1N=O CNP0029556.0 [0,2,0,0,0,0|0,0,2]=4 532 B12R1.77 CC[C@H](C)C1=NC=CN=C1OC CNP0249428.1 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.77 COC(=O)C1=CC=CC=C1OC CNP0297770.0 [0,2,0,0,0,0|1,0,1]=4 534 B12R1.112 CCOC1=CC=C(C=C1CO)O CNP0181724.0 [0,2,0,0,0,0|1,0,0]=3 535 B12R1.283 C=CCC1=CC=CC=C1C(=O)O CNP0462154.0 [0,2,0,0,0,0|0,0,2]=4 536 B12R1.283 CC=CC1=CC=CC=C1C(=O)O CNP0476960.0 [0,2,0,0,0,0|0,0,2]=4 537 B12R1.283 CCNC1=CC=CC=C1C(=O)O CNP0071068.0 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.283 CCOC1=CC=CC=C1C(=O)O CNP0575551.0 [0,2,0,0,0,0|1,0,0]=3 539 B12R1.283 N#CCC1=CC=CC=C1C(=O)O CNP0437340.0 [0,2,0,0,0,0|1,0,1]=4 540 B12R1.1469 CCCC1(C=CC=CC1OC)O CNP0517944.0 [0,2,0,0,0,0|0,0,2]=4 541 B12R1.114 C=CCC1=CC=C(C=C1O)OC CNP0106128.0 [0,2,0,0,0,0|0,0,2]=4 542 B12R1.114 CC=CC1=CC=C(C=C1O)OC CNP0526472.0 [0,2,0,0,0,0|0,0,2]=4 543 B12R1.114 CCCC1=CC=C(C=C1C)CC CNP0216673.0 [0,2,0,0,0,0|1,0,0]=3 544 B12R1.114 CCOC1=CC=C(C=C1O)CO CNP0221615.0 [0,2,0,0,0,0|1,0,0]=3 545 B12R1.233 CC(=O)NC1=CC=C(C=C1O)C CNP0038952.0 [0,2,0,0,0,0|1,0,1]=4 546 B12R1.233 CC(=O)NC1=CC=C(C=C1O)Cl CNP0039766.0 [0,2,0,0,0,0|1,0,1]=4 547 B12R1.233 O=C(O)CC1=CC=C(C=C1O)O CNP0153620.0 [0,2,0,0,0,0|1,0,1]=4 548 B12R1.1095 CCOC1=C(C=C(C=C1Br)Br)Br CNP0289706.0 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.1123 CCOC1=CC(=O)C(=CC1=O)C CNP0330602.0 [0,2,0,0,0,0|1,0,1]=4 550 B12R1.1123 NCCC1=CC(=C(C=C1O)O)O CNP0204441.0 [0,2,0,0,0,0|1,0,0]=3 551 B12R1.1703 C=C(CO)C1=CC=C(C=C1O)C CNP0106917.0 [0,2,0,0,0,0|1,0,1]=4 552 B12R1.1703 CC1=CC=C(C(=C1)O)[C@H](C)CO CNP0160693.1 [0,2,0,0,0,0|1,0,0]=3 553 B12R1.1703 CCC(=O)C1=CC=C(C=C1C)C CNP0099963.0 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.1703 COC(=O)C1=CC=C(C=C1O)N CNP0026548.0 [0,2,0,0,0,0|1,0,1]=4 555 B12R1.1703 COC(=O)C1=CC=C(C=C1O)O CNP0316033.0 [0,2,0,0,0,0|1,0,1]=4 556 B12R1.1703 O=C(CCl)C1=CC=C(C=C1O)O CNP0037880.0 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.124 CC(=C(N)C1=CC=CC=C1O)N CNP0018282.0 [0,2,0,0,0,0|0,0,2]=4 558 B12R1.127 CC(=O)CC1=CC(=CC=C1O)C CNP0405463.0 [0,2,0,0,0,0|0,0,1]=3 559 B12R1.127 CC(=O)NC1=CC(=CC=C1O)O CNP0134433.0 [0,2,0,0,0,0|1,0,1]=4 560 B12R1.127 O=C(O)CC1=CC(=CC=C1O)O CNP0114662.0 [0,2,0,0,0,0|1,0,1]=4 561 B12R1.151 CC(C)(N)CC1=CC=CC=C1Cl CNP0487708.0 [0,2,0,0,0,0|1,0,0]=3 562 B12R1.1009 O=C(O)CC1=C(C=CC=C1O)O CNP0135400.0 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.270 C=CCC1=CC(=CC=C1O)OC CNP0489454.0 [0,2,0,0,0,0|0,0,2]=4 564 B12R1.270 CCOC1=CC(=CC=C1O)C=O CNP0155747.0 [0,2,0,0,0,0|1,0,0]=3 565 B12R1.354 CC1=CC=C(C(=C1)C(C)CO)O CNP0507522.0 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.354 CC[C@@H](O)C1=CC(=CC=C1O)C CNP0224091.1 [0,2,0,0,0,0|0,0,0]=2 567 B12R1.354 CC[C@H](O)C1=CC(=CC=C1O)C CNP0224091.2 [0,2,0,0,0,0|0,0,0]=2 568 B12R1.354 COC(=O)C1=CC(=CC=C1O)O CNP0221274.0 [0,2,0,0,0,0|1,0,1]=4 569 B12R1.243 CCC(CC)C1=CC=CC=C1O CNP0402285.0 [0,2,0,0,0,0|0,0,0]=2 570 B12R1.3441 CC1=CC=CC(=C1[C@@H](O)CO)O CNP0239390.1 [0,2,0,0,0,0|1,0,0]=3 571 B12R1.3441 COC(=O)C1=C(C=CC=C1O)C CNP0214787.0 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.3441 COC(=O)C1=C(C=CC=C1O)O CNP0175842.0 [0,2,0,0,0,0|1,0,1]=4 573 B10R1.113 CN1C=CC=C(C1)C(=O)O CNP0512399.0 [0,0,1,1,0,0|2,0,0]=4 574 B10R1.113 N[C@@H]1C=CC=C(C1)C(=O)O CNP0312678.1 [0,0,1,1,0,0|2,0,0]=4 575 B10R1.113 N[C@H]1C=CC=C(C1)C(=O)O CNP0312678.2 [0,0,1,1,0,0|2,0,0]=4 576 B10R1.113 O=C(O)C1=CC=CC(C1)[Si] CNP0180659.0 [0,0,1,1,0,0|1,1,0]=4 577 B10R1.11 CCCC(=O)C1=CC=CO1 CNP0102871.0 [0,0,1,1,0,0|1,0,0]=3 578 B10R1.11 CCCC(=O)C1=CC=CS1 CNP0318042.0 [0,0,1,1,0,0|1,1,0]=4 579 B10R1.11 CCOC(=O)C1=CC=CO1 CNP0247126.0 [0,0,1,1,0,0|2,0,0]=4 580 B10R1.21 CCC=CCC1=CC=CO1 CNP0453749.0 [0,0,1,1,0,0|0,0,2]=4 581 B10R1.21 CCCC=CC1=CC=CO1 CNP0062587.0 [0,0,1,1,0,0|0,0,0]=2 582 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [0,0,1,1,0,0|0,0,2]=4 583 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 CNP0154763.1 [1,0,0,1,0,0|1,0,0]=3 584 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 CNP0154763.2 [1,0,0,1,0,0|1,0,0]=3 585 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [1,0,0,1,0,0|1,0,0]=3 586 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [1,0,0,1,0,0|0,0,2]=4 587 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|0,0,0]=2 588 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [1,0,0,1,0,0|1,0,0]=3 589 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|1,0,0]=3 590 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|1,0,0]=3 591 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,1,0,0|2,0,0]=4 592 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [1,0,0,1,0,0|2,0,0]=4 593 B10R2.7 C1=CCC2=C(C1)CCC2 CNP0572732.0 [1,0,0,1,0,0|0,0,2]=4 594 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [1,0,0,1,0,0|1,0,0]=3 595 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [1,0,0,1,0,0|1,0,1]=4 596 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|0,0,0]=2 597 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|0,0,0]=2 598 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [1,0,0,1,0,0|1,0,0]=3 599 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [1,0,0,1,0,0|1,0,0]=3 600 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [1,0,0,1,0,0|1,0,0]=3 601 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [1,0,0,1,0,0|1,0,0]=3 602 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [1,0,0,1,0,0|1,0,1]=4 603 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [1,0,0,1,0,0|1,0,0]=3 604 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [1,0,0,1,0,0|1,0,0]=3 605 B12R2.82 CC1=C(C=CC2=C1CCC2)O CNP0145755.0 [0,1,0,1,0,0|1,0,0]=3 606 B12R2.82 CC1=CC=C2CCCC2=C1O CNP0311243.0 [0,1,0,1,0,0|0,0,0]=2 607 B12R2.202 C[C@@H]1CC2=CC=CC(=C2C1)O CNP0223083.1 [0,1,0,1,0,0|0,0,0]=2 608 B12R2.202 O=C1CC2=C(C=CC=C2O1)O CNP0488762.0 [0,1,0,1,0,0|1,0,1]=4 609 B12R2.1081 CC1=CC=CC2=C1CCCC2 CNP0246317.0 [0,1,0,1,0,0|1,0,0]=3 610 B12R2.1081 CC1=CC=NC2=C1CCCC2 CNP0208012.0 [0,1,0,1,0,0|2,0,0]=4 611 B12R2.1081 O=C1CCCC2=CC=CC=C12 CNP0265726.0 [0,1,0,1,0,0|0,0,1]=3 612 B12R2.1081 O=C1CCNC2=CC=CC=C12 CNP0329955.0 [0,1,0,1,0,0|1,0,1]=4 613 B12R2.1081 O=C1CCOC2=CC=CC=C12 CNP0350030.0 [0,1,0,1,0,0|0,0,1]=3 614 B12R2.1081 O=C1COCC2=CC=CC=C12 CNP0581106.0 [0,1,0,1,0,0|1,0,1]=4 615 B12R2.1081 O=C1NCCC2=CC=CC=C12 CNP0436374.0 [0,1,0,1,0,0|1,0,1]=4 616 B12R2.1081 O=C1OCCC2=CC=CC=C12 CNP0492778.0 [0,1,0,1,0,0|1,0,1]=4 617 B12R2.1081 OC1=CC=CC2=C1CNCC2 CNP0142475.0 [0,1,0,1,0,0|0,0,0]=2 618 B12R2.1081 OC1=NCCC2=CC=CC=C12 CNP0563497.0 [0,1,0,1,0,0|1,0,0]=3 619 B12R2.1081 O[C@@H]1CCOC2=CC=CC=C12 CNP0196291.1 [0,1,0,1,0,0|0,0,0]=2 620 B12R2.24 CC1=CC2=C(C=N1)CCCC2 CNP0203215.0 [0,1,0,1,0,0|2,0,0]=4 621 B12R2.24 CC1=CC=C2CCCCC2=C1 CNP0289026.0 [0,1,0,1,0,0|1,0,0]=3 622 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [0,1,0,1,0,0|1,0,0]=3 623 B12R2.24 IC1=CC=C2CCNCC2=C1 CNP0494703.0 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.24 O=C1C=CC2=C(O1)CCCC2 CNP0079762.0 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,1,0,1,0,0|1,0,1]=4 626 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,1,0,1,0,0|1,0,1]=4 627 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,1,0,1,0,0|1,0,1]=4 628 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,1,0,1,0,0|0,0,1]=3 629 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,1,0,1,0,0|1,0,1]=4 630 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,1,0,1,0,0|1,0,1]=4 631 B12R2.24 OC1=CC=C2CCCCC2=C1 CNP0031078.0 [0,1,0,1,0,0|1,0,0]=3 632 B12R2.24 OC1=CC=C2CCNCC2=C1 CNP0284580.0 [0,1,0,1,0,0|2,0,0]=4 633 B12R2.24 OC1=CC=C2CNCCC2=C1 CNP0194768.0 [0,1,0,1,0,0|2,0,0]=4 634 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [0,1,0,1,0,0|0,0,2]=4 635 B12R2.24 O[C@H]1CN=C2C=CC=CN2C1 CNP0248864.2 [0,1,0,1,0,0|2,0,0]=4 636 B12R2.24 O[C@H]1C[NH+]=C2C=CC=CN2C1 CNP0545554.1 [0,1,0,1,0,0|2,0,0]=4 637 B12R2.32 CCC1=NC2=CC=CC=C2N1 CNP0080017.0 [0,1,0,1,0,0|1,0,1]=4 638 B12R2.32 CCC1=NC2=CC=CC=C2S1 CNP0002561.0 [0,1,0,1,0,0|0,1,1]=4 639 B12R2.196 CC1=CC=CC2=C1CCC2=O CNP0273734.0 [0,1,0,1,0,0|1,0,1]=4 640 B12R2.196 CC1=CN=CC2=C1CC[C@@H]2C CNP0181590.1 [0,1,0,1,0,0|2,0,0]=4 641 B12R2.196 CC1=CN=CC2=C1CC[C@H]2C CNP0181590.2 [0,1,0,1,0,0|2,0,0]=4 642 B12R2.196 C[C@H]1CCC2=C(C=CC=C12)O CNP0354068.1 [0,1,0,1,0,0|0,0,0]=2 643 B12R2.196 O=C1OCC2=C(C=CC=C12)O CNP0250510.0 [0,1,0,1,0,0|1,0,1]=4 644 B12R2.1 CCC1=CNC2=CC=CC=C12 CNP0424454.0 [0,1,0,1,0,0|1,0,1]=4 645 B12R2.18 C=C1C2=CC=CC=C2OC1O CNP0201067.0 [0,1,0,1,0,0|1,0,1]=4 646 B12R2.18 CC1=C(C2=CC=CC=C2C1)C CNP0191084.0 [0,1,0,1,0,0|1,0,1]=4 647 B12R2.18 CC1=C(C2=CC=CC=C2O1)C CNP0053297.0 [0,1,0,1,0,0|0,0,2]=4 648 B12R2.18 CC1=CC2=CC=CC=C2[C@@H]1O CNP0325411.2 [0,1,0,1,0,0|0,0,2]=4 649 B12R2.18 CC1=CC2=CC=CC=C2[C@H]1O CNP0325411.1 [0,1,0,1,0,0|0,0,2]=4 650 B12R2.18 C[C@@H]1CC2=CC=CC=C2C1=O CNP0054143.2 [0,1,0,1,0,0|0,0,1]=3 651 B12R2.18 C[C@H]1CC2=CC=CC=C2C1=O CNP0054143.1 [0,1,0,1,0,0|0,0,1]=3 652 B12R2.18 N[C@H]1C2=CC=CC=C2C[C@H]1O CNP0455333.1 [0,1,0,1,0,0|2,0,0]=4 653 B12R2.18 O[C@@H]1C2=CC=CC=C2C[C@@H]1O CNP0181785.1 [0,1,0,1,0,0|1,0,0]=3 654 B12R2.18 O[C@H]1CC2=CC=CC=C2[C@@H]1O CNP0181785.2 [0,1,0,1,0,0|1,0,0]=3 655 B12R2.315 COC1=CC=CC2=C1COO2 CNP0298183.0 [0,1,0,1,0,0|2,0,0]=4 656 B12R2.315 COC1=CC=CC2=C1OCO2 CNP0612007.0 [0,1,0,1,0,0|2,0,0]=4 657 B12R2.315 O=CC1=CC=CC2=C1CCC2 CNP0274252.0 [0,1,0,1,0,0|0,0,1]=3 658 B12R2.246 CC1=CC(=C2CCCC2=C1)C CNP0332105.0 [0,1,0,1,0,0|1,0,0]=3 659 B12R2.246 CC1=CC(=C2CCCC2=C1)O CNP0201391.0 [0,1,0,1,0,0|0,0,0]=2 660 B12R2.246 NC1=NC(=C2CCCC2=N1)O CNP0369847.0 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.606 O=C1CC2=CC(=CC=C2O1)O CNP0197068.0 [0,1,0,1,0,0|1,0,1]=4 662 B12R2.606 O=C1CC2=CC=C(C=C2O1)O CNP0517521.0 [0,1,0,1,0,0|1,0,1]=4 663 B12R2.221 CC1=CC=C(C2=C1CCC2)O CNP0240372.0 [0,1,0,1,0,0|0,0,0]=2 664 B12R2.203 C[C@H]1CCC2=CC=CC(=C12)O CNP0249433.1 [0,1,0,1,0,0|0,0,0]=2 665 B12R2.203 O=C1CCC2=CC=CC(=C12)O CNP0573066.0 [0,1,0,1,0,0|0,0,1]=3 666 B12R2.203 O=C1OCC2=CC=CC(=C12)O CNP0160114.0 [0,1,0,1,0,0|1,0,1]=4 667 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,0,1,0|1,0,0]=3 668 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,0,1,0|1,0,0]=3 669 B8R1.8 CCCN1C=CC=C1 CNP0269776.0 [1,0,0,0,1,0|1,0,0]=3 670 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [1,0,0,0,1,0|2,0,0]=4 671 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [1,0,0,0,1,0|2,0,0]=4 672 B8R1.8 OCCC1=CC=CS1 CNP0577450.0 [1,0,0,0,1,0|2,0,0]=4 673 B8R1.8 OCCN1C=CC=C1 CNP0108242.0 [1,0,0,0,1,0|2,0,0]=4