0 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [0,0,0,0,0,0|0,1,2]=3 2 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [0,0,0,0,0,0|0,1,0]=1 13 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [0,0,0,0,0,0|0,0,0]=0 14 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,0,0,0,0,0|1,1,0]=2 16 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [0,0,0,0,0,0|1,1,0]=2 21 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [0,0,0,0,0,0|1,1,1]=3 22 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [0,0,0,0,0,0|2,1,0]=3 23 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [0,0,0,0,0,0|2,1,0]=3 24 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [0,0,0,0,0,0|2,1,0]=3 25 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [0,0,0,0,0,0|2,1,0]=3 26 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [0,0,0,0,0,0|1,1,0]=2 28 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [0,0,0,0,0,0|2,0,1]=3 30 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [0,0,0,0,0,0|1,1,0]=2 32 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [0,0,0,0,0,0|2,0,1]=3 34 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [0,0,0,0,0,0|1,1,1]=3 35 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [0,0,0,0,0,0|2,1,0]=3 36 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [0,0,0,0,0,0|1,1,0]=2 37 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [0,0,0,0,0,0|2,0,1]=3 39 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [1,0,0,0,0,0|0,0,2]=3 41 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [1,0,0,0,0,0|0,0,2]=3 42 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,0,0,0,0,0|1,0,2]=4 43 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [1,0,0,0,0,0|1,0,2]=4 44 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,0,0,0,0,0|0,0,0]=1 45 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,0,0,0,0,0|1,0,0]=2 46 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,0,0,0,0,0|1,0,0]=2 47 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [1,0,0,0,0,0|1,0,0]=2 49 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,0,0,0,0,0|1,0,0]=2 56 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [1,0,0,0,0,0|1,0,1]=3 59 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [1,0,0,0,0,0|1,0,0]=2 63 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [1,0,0,0,0,0|1,0,1]=3 67 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [1,0,0,0,0,0|1,0,0]=2 72 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [1,0,0,0,0,0|1,0,2]=4 73 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [1,0,0,0,0,0|1,0,1]=3 76 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [1,0,0,0,0,0|1,0,0]=2 77 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [1,0,0,0,0,0|1,0,0]=2 81 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [1,0,0,0,0,0|0,0,1]=2 82 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [1,0,0,0,0,0|1,0,1]=3 83 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [1,0,0,0,0,0|1,0,2]=4 84 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [1,0,0,0,0,0|1,0,0]=2 85 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [1,0,0,0,0,0|1,0,0]=2 86 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [1,0,0,0,0,0|1,0,0]=2 87 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [1,0,0,0,0,0|1,0,0]=2 88 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [1,0,0,0,0,0|0,1,0]=2 89 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [1,0,0,0,0,0|0,0,0]=1 90 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [1,0,0,0,0,0|1,1,0]=3 92 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [1,0,0,0,0,0|2,0,0]=3 97 B8R1.5 CC1=CN=CC=[N+]1[O-] CNP0547202.0 [1,0,0,0,0,0|2,1,0]=4 98 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [1,0,0,0,0,0|1,1,0]=3 99 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [1,0,0,0,0,0|3,0,0]=4 100 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.5 N=C1C=CNC=C1N CNP0546227.0 [1,0,0,0,0,0|3,0,0]=4 102 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [1,0,0,0,0,0|2,0,0]=3 104 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [1,0,0,0,0,0|1,1,0]=3 105 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [1,0,0,0,0,0|1,0,0]=2 106 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [1,0,0,0,0,0|3,0,0]=4 108 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [1,0,0,0,0,0|1,1,0]=3 109 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [1,0,0,0,0,0|1,1,1]=4 110 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [1,0,0,0,0,0|2,1,0]=4 111 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [1,0,0,0,0,0|2,1,0]=4 112 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [1,0,0,0,0,0|2,1,0]=4 113 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [1,0,0,0,0,0|2,1,0]=4 114 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [1,0,0,0,0,0|1,1,0]=3 115 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [1,0,0,0,0,0|1,1,0]=3 116 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [1,0,0,0,0,0|1,1,0]=3 117 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [1,0,0,0,0,0|2,1,0]=4 118 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [1,0,0,0,0,0|2,1,0]=4 119 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [1,0,0,0,0,0|2,1,0]=4 120 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [1,0,0,0,0,0|2,0,1]=4 121 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [1,0,0,0,0,0|1,1,0]=3 122 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [1,0,0,0,0,0|1,0,0]=2 123 B8R1.5 [O-]N1C=CC=CC1=S CNP0491195.0 [1,0,0,0,0,0|2,0,1]=4 124 B8R1.5 [O-]N1C=CC=CC1=S CNP0532331.0 [1,0,0,0,0,0|2,0,1]=4 125 B8R1.5 [O-][N+]1=CC=CC=C1S CNP0592307.0 [1,0,0,0,0,0|2,0,0]=3 126 B10R1.2 C#[N+]C1=CC=CC(=C1O)N CNP0440267.0 [0,1,0,0,0,0|1,1,1]=4 127 B10R1.2 CC1=CC=CC(=C1C)C#N CNP0139053.0 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.2 CCC1=C(C(=O)C=CO1)O CNP0197022.0 [0,1,0,0,0,0|1,1,0]=3 130 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [0,1,0,0,0,0|0,1,0]=2 132 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [0,1,0,0,0,0|0,1,0]=2 133 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.2 COC1=CC=CC(=C1N)C CNP0448107.0 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [0,1,0,0,0,0|1,1,0]=3 136 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [0,1,0,0,0,0|1,1,0]=3 137 B10R1.2 COC1=CC=CC(=O)C1=O CNP0358042.0 [0,1,0,0,0,0|1,1,0]=3 138 B10R1.2 COC1=COC=C(C1=O)O CNP0275843.0 [0,1,0,0,0,0|2,1,0]=4 139 B10R1.2 O=C1C=COC(=C1O)CO CNP0298786.0 [0,1,0,0,0,0|2,1,0]=4 140 B10R1.2 O=CC1=CC=CC(=C1O)O CNP0104242.0 [0,1,0,0,0,0|1,1,1]=4 141 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [0,1,0,0,0,0|1,1,0]=3 142 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [0,1,0,0,0,0|1,1,0]=3 143 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [0,1,0,0,0,0|1,0,1]=3 144 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [0,1,0,0,0,0|0,1,1]=3 145 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [0,1,0,0,0,0|1,0,2]=4 146 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [0,1,0,0,0,0|1,0,1]=3 147 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [0,1,0,0,0,0|2,0,1]=4 148 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [0,1,0,0,0,0|0,1,0]=2 151 B10R1.4 CCCC1=NC=CN=C1C CNP0076160.0 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [0,1,0,0,0,0|1,0,0]=2 153 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [0,1,0,0,0,0|1,0,0]=2 155 B10R1.4 CSSC1=CC=CC=[N+]1[O-] CNP0574687.0 [0,1,0,0,0,0|2,1,0]=4 156 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [0,1,0,0,0,0|0,1,1]=3 157 B10R1.4 N#CC[N+]1=CC=CC=C1Br CNP0534465.0 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [0,1,0,0,0,0|0,1,0]=2 160 B10R1.4 NNC=C1C=CC=CC1=O CNP0076151.0 [0,1,0,0,0,0|1,1,1]=4 161 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [0,1,0,0,0,0|1,1,1]=4 162 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [0,1,0,0,0,0|0,1,0]=2 163 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [0,1,0,0,0,0|1,1,1]=4 165 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [0,1,0,0,0,0|1,1,0]=3 166 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [0,1,0,0,0,0|0,1,0]=2 168 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [0,1,0,0,0,0|0,1,0]=2 170 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [0,1,0,0,0,0|0,1,0]=2 171 B10R1.20 CCC1=NC=CN=C1CC CNP0079931.0 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.20 CCC1=NC=CN=C1OC CNP0002552.0 [0,1,0,0,0,0|2,1,0]=4 173 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [0,1,0,0,0,0|1,1,0]=3 174 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [0,1,0,0,0,0|1,1,0]=3 175 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [0,1,0,0,0,0|1,1,0]=3 176 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [0,1,0,0,0,0|1,1,0]=3 177 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [0,1,0,0,0,0|1,1,0]=3 178 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [0,1,0,0,0,0|1,1,0]=3 179 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [0,1,0,0,0,0|1,1,0]=3 180 B10R1.20 COC1=CC=NC=C1C#N CNP0112876.0 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.20 N#CC1=CC=CC=C1CBr CNP0046063.0 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.20 O=CC1=CC=CC=C1C=O CNP0478589.0 [0,1,0,0,0,0|1,1,1]=4 183 B10R1.20 SCC1=CC=CC=C1CS CNP0028178.0 [0,1,0,0,0,0|1,0,0]=2 184 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [0,1,0,0,0,0|1,0,2]=4 185 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [0,1,0,0,0,0|0,1,2]=4 186 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [0,1,0,0,0,0|2,0,1]=4 189 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [0,1,0,0,0,0|1,1,1]=4 194 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [0,1,0,0,0,0|0,1,0]=2 196 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [0,1,0,0,0,0|0,1,0]=2 197 B10R1.25 CCC1=CN=C(N=C1O)O CNP0514605.0 [0,1,0,0,0,0|2,1,0]=4 198 B10R1.25 CCC1=NC=C(N=C1C)C CNP0193103.0 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.25 CCN1C=CC(=O)NC1=O CNP0137903.0 [0,1,0,0,0,0|2,1,0]=4 200 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [0,1,0,0,0,0|1,1,0]=3 207 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [0,1,0,0,0,0|1,1,0]=3 208 B10R1.25 COC1=CC=[N+](C=C1C)[O-] CNP0606691.0 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [0,1,0,0,0,0|1,1,1]=4 210 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [0,1,0,0,0,0|1,1,1]=4 211 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [0,1,0,0,0,0|1,0,2]=4 213 B10R1.30 CC1=CC=C(C(=C1)C#N)C CNP0233289.0 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.30 CC1=CC=C(C(=C1)C#N)Cl CNP0033668.0 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.30 CC1=CC=[N+](C=C1CO)[O-] CNP0579255.0 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [0,1,0,0,0,0|1,0,0]=2 219 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [0,1,0,0,0,0|1,0,0]=2 220 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [0,1,0,0,0,0|0,1,0]=2 221 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [0,1,0,0,0,0|0,1,0]=2 222 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [0,1,0,0,0,0|0,1,0]=2 223 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [0,1,0,0,0,0|1,1,0]=3 224 B10R1.30 CCC1=NC(=CN=C1C)C CNP0404153.0 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.30 CCN1C=C(C=CC1=O)Br CNP0062545.0 [0,1,0,0,0,0|1,1,0]=3 226 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [0,1,0,0,0,0|2,0,0]=3 227 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [0,1,0,0,0,0|1,1,0]=3 229 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [0,1,0,0,0,0|1,1,0]=3 230 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [0,1,0,0,0,0|1,1,0]=3 231 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [0,1,0,0,0,0|1,1,0]=3 232 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [0,1,0,0,0,0|1,1,1]=4 233 B10R1.30 O=C1C=C(C(=CO1)O)CO CNP0349514.0 [0,1,0,0,0,0|2,1,0]=4 234 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [0,1,0,0,0,0|1,1,0]=3 235 B10R1.30 O=C1OC=C(C=C1CO)O CNP0541420.0 [0,1,0,0,0,0|2,1,0]=4 236 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [0,1,0,0,0,0|1,1,1]=4 237 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [0,1,0,0,0,0|1,1,0]=3 239 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,1,0,0,0,0|1,0,1]=3 240 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,1,0,0,0,0|1,0,1]=3 241 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,1,0,0,0,0|1,0,1]=3 242 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,1,0,0,0,0|0,1,1]=3 243 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [0,1,0,0,0,0|0,1,0]=2 247 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [0,1,0,0,0,0|0,0,0]=1 248 B10R1.61 CC1=C(C=COC1)C(C)C CNP0183194.0 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.61 CC1=C(OCC=C1)C(C)C CNP0344214.0 [0,1,0,0,0,0|2,0,1]=4 250 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [0,1,0,0,0,0|1,1,0]=3 254 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,1,0,0,0,0|2,0,1]=4 255 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,1,0,0,0,0|2,0,1]=4 256 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,1,0,0,0,0|1,1,1]=4 257 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [0,1,0,0,0,0|3,0,0]=4 259 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,1,0,0,0,0|2,0,1]=4 260 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,1,0,0,0,0|1,1,1]=4 261 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,1,0,0,0,0|1,0,1]=3 262 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,1,0,0,0,0|1,1,1]=4 263 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,1,0,0,0,0|1,1,1]=4 264 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,1,0,0,0,0|1,1,1]=4 265 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,1,0,0,0,0|1,1,1]=4 266 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,1,0,0,0,0|1,1,1]=4 267 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,1,0,0,0,0|1,0,2]=4 268 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [0,1,0,0,0,0|2,1,0]=4 269 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [0,1,0,0,0,0|2,1,0]=4 270 B10R1.245 CC1=CC=CC(=C1C#N)C CNP0139271.0 [0,1,0,0,0,0|2,0,1]=4 271 B10R1.245 CC1=CC=CC(=C1C=O)C CNP0561651.0 [0,1,0,0,0,0|2,0,1]=4 272 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [0,1,0,0,0,0|1,1,1]=4 273 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [0,1,0,0,0,0|1,1,0]=3 274 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [0,1,0,0,0,0|1,0,0]=2 275 B10R1.245 CCN1C(=CC=NC1=O)N CNP0527262.0 [0,1,0,0,0,0|2,1,0]=4 276 B10R1.245 CNC1=C(C=CC=C1C)C CNP0282095.0 [0,1,0,0,0,0|2,0,0]=3 277 B10R1.245 COC1=C(C=CC=C1Br)Br CNP0017925.0 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.245 COC1=C(C=CC=C1Cl)Cl CNP0143389.0 [0,1,0,0,0,0|2,0,0]=3 280 B10R1.245 COC1=C(C=CC=C1O)O CNP0193285.0 [0,1,0,0,0,0|1,1,0]=3 281 B10R1.245 COC1=C(NC=CC1=O)C CNP0226695.0 [0,1,0,0,0,0|2,1,0]=4 282 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [0,1,0,0,0,0|2,1,0]=4 283 B10R1.245 N#CC1=C(C=CC=C1Cl)Cl CNP0161827.0 [0,1,0,0,0,0|2,0,1]=4 284 B8R0.4 CCC=CC=CCCO CNP0339953.0 [0,0,1,0,0,0|0,1,2]=4 285 B8R0.4 CCC=CCC=CCO CNP0338368.0 [0,0,1,0,0,0|0,1,2]=4 286 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,0,1,0,0,0|0,1,1]=3 287 B8R0.4 CCCC=CC=CCO CNP0175481.0 [0,0,1,0,0,0|0,1,2]=4 288 B8R0.15 C=C(C)C(=CCC)CC CNP0487408.0 [0,0,1,0,0,0|1,0,2]=4 289 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [0,0,0,1,0,0|2,1,0]=4 290 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [0,0,0,1,0,0|2,0,0]=3 291 B10R2.7 C1=CC2=C(C=N1)SC=C2 CNP0610548.0 [0,0,0,1,0,0|1,0,2]=4 292 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [0,0,0,1,0,0|1,0,1]=3 293 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [0,0,0,1,0,0|1,0,2]=4 294 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [0,0,0,1,0,0|2,0,1]=4 295 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [0,0,0,1,0,0|2,0,1]=4 296 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [0,0,0,1,0,0|2,0,1]=4 297 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [0,0,0,1,0,0|2,0,1]=4 298 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [0,0,0,1,0,0|1,0,0]=2 299 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [0,0,0,1,0,0|2,0,0]=3 300 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [0,0,0,1,0,0|1,0,2]=4 301 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [0,0,0,1,0,0|2,0,1]=4 302 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [0,0,0,1,0,0|1,0,0]=2 303 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [0,0,0,1,0,0|2,0,1]=4 304 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [0,0,0,1,0,0|0,1,2]=4 305 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [0,0,0,1,0,0|1,1,1]=4 306 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [0,0,0,1,0,0|0,1,0]=2 307 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [0,0,0,1,0,0|1,1,0]=3 308 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [0,0,0,1,0,0|0,0,2]=3 309 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [0,0,0,1,0,0|1,0,1]=3 310 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [0,0,0,1,0,0|1,0,0]=2 311 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [0,0,0,1,0,0|1,0,1]=3 312 B10R2.7 C1=CCC2=C(C1)CCC2 CNP0572732.0 [0,0,0,1,0,0|1,0,2]=4 313 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [0,0,0,1,0,0|2,0,0]=3 314 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [0,0,0,1,0,0|1,0,1]=3 315 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,0,0,1,0,0|1,0,0]=2 316 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,0,0,1,0,0|1,0,0]=2 317 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,0,0,1,0,0|2,0,0]=3 318 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,0,0,1,0,0|2,0,0]=3 319 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,0,0,1,0,0|2,0,0]=3 320 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,0,0,1,0,0|2,0,0]=3 321 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,0,0,1,0,0|2,0,1]=4 322 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,0,0,1,0,0|2,0,0]=3 323 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,0,0,1,0,0|2,0,0]=3 324 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,0,0,0,1,0|3,0,0]=4 325 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,0,0,0,1,0|3,0,0]=4 326 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,0,0,0,1,0|0,1,2]=4 327 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,0,0,0,1,0|0,1,2]=4 328 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,0,0,0,1,0|0,1,2]=4 329 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,0,0,0,1,0|3,0,0]=4 330 B10R1.19 CNC1=CC=CC=CC1=O CNP0365343.0 [0,0,0,0,0,1|1,1,0]=3 331 B10R1.19 COC1=CC=CC=CC1=O CNP0338475.0 [0,0,0,0,0,1|1,1,0]=3 332 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,1,0,0,0|0,0,0]=2 333 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,1,0,0,0|0,0,2]=4 334 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,0,1,0,0,0|0,0,2]=4 335 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|1,0,0]=3 336 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,1,0,0,0|0,0,2]=4 337 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,0,1,0,0,0|0,1,0]=3 338 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,0,1,0,0,0|0,0,2]=4 339 B7R0.1 CCC=CC=CCO CNP0332799.0 [1,0,1,0,0,0|0,1,1]=4 340 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,0,1,0,0,0|0,1,1]=4 341 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [1,0,1,0,0,0|1,1,0]=4 342 B7R0.1 O=CC=CC=CCO CNP0296757.0 [1,0,1,0,0,0|1,1,0]=4 343 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [1,0,1,0,0,0|1,0,1]=4 344 B7R0.3 C=CC=CC(C)C=C CNP0076743.0 [1,0,1,0,0,0|1,0,1]=4 345 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [1,0,1,0,0,0|1,1,0]=4 346 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [1,0,1,0,0,0|1,0,1]=4 347 B7R0.12 C=CC(=CCO)CC CNP0076437.0 [1,0,1,0,0,0|1,0,1]=4 348 B7R0.12 C=C[C@@H](/C=C/C)CC CNP0401910.1 [1,0,1,0,0,0|0,0,2]=4 349 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [2,0,0,0,0,0|1,0,0]=3 350 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [2,0,0,0,0,0|0,0,2]=4 351 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|0,0,0]=2 352 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|1,0,0]=3 353 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [2,0,0,0,0,0|0,0,2]=4 354 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|1,0,0]=3 355 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [2,0,0,0,0,0|1,0,0]=3 356 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [2,0,0,0,0,0|2,0,0]=4 357 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [2,0,0,0,0,0|0,0,2]=4 358 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [2,0,0,0,0,0|2,0,0]=4 359 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [2,0,0,0,0,0|1,0,1]=4 360 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [2,0,0,0,0,0|1,0,1]=4 361 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [2,0,0,0,0,0|1,0,0]=3 362 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [2,0,0,0,0,0|2,0,0]=4 363 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [2,0,0,0,0,0|1,0,0]=3 364 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [2,0,0,0,0,0|1,0,0]=3 365 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [2,0,0,0,0,0|2,0,0]=4 366 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [2,0,0,0,0,0|2,0,0]=4 367 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [2,0,0,0,0,0|1,0,0]=3 368 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|2,0,0]=4 369 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [2,0,0,0,0,0|2,0,0]=4 370 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [2,0,0,0,0,0|2,0,0]=4 371 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [2,0,0,0,0,0|2,0,0]=4 372 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [2,0,0,0,0,0|0,1,1]=4 373 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [2,0,0,0,0,0|1,1,0]=4 374 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [2,0,0,0,0,0|1,1,0]=4 375 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [2,0,0,0,0,0|1,1,0]=4 376 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [2,0,0,0,0,0|1,1,0]=4 377 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [2,0,0,0,0,0|0,1,0]=3 378 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|1,1,0]=4 379 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [2,0,0,0,0,0|1,1,0]=4 380 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [2,0,0,0,0,0|1,1,0]=4 381 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [2,0,0,0,0,0|0,0,0]=2 382 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|1,0,0]=3 383 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,1,1,0,0,0|1,1,0]=4 384 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [0,1,1,0,0,0|0,1,1]=4 385 B9R0.2 CCCC=CC=CC(=O)N CNP0194584.0 [0,1,1,0,0,0|0,1,1]=4 386 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [0,1,1,0,0,0|0,1,1]=4 387 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [0,1,1,0,0,0|1,0,1]=4 388 B9R0.45 CCC=CCC=CCC=O CNP0146228.0 [0,1,1,0,0,0|0,1,1]=4 389 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [0,1,1,0,0,0|0,1,1]=4 390 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,1,1,0,0,0|0,1,1]=4 391 B9R0.46 CCC(=O)C=CC=CCO CNP0451824.0 [0,1,1,0,0,0|0,1,1]=4 392 B9R0.43 CC=C(C=CC(=O)N)CC CNP0192720.0 [0,1,1,0,0,0|2,0,0]=4 393 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [1,1,0,0,0,0|0,0,2]=4 394 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [1,1,0,0,0,0|0,0,2]=4 395 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [1,1,0,0,0,0|1,0,1]=4 396 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [1,1,0,0,0,0|1,0,1]=4 397 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [1,1,0,0,0,0|1,0,0]=3 398 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [1,1,0,0,0,0|0,0,0]=2 401 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [1,1,0,0,0,0|0,0,0]=2 402 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [1,1,0,0,0,0|0,0,0]=2 403 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [1,1,0,0,0,0|0,0,0]=2 404 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [1,1,0,0,0,0|1,0,0]=3 405 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [1,1,0,0,0,0|1,0,0]=3 406 B9R1.1 CCC1=CN=C(C=N1)C CNP0183380.0 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [1,1,0,0,0,0|1,0,0]=3 409 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [1,1,0,0,0,0|1,0,0]=3 410 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [1,1,0,0,0,0|1,0,1]=4 414 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [1,1,0,0,0,0|1,0,1]=4 415 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [1,1,0,0,0,0|1,0,1]=4 418 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [1,1,0,0,0,0|1,0,0]=3 419 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [1,1,0,0,0,0|1,0,1]=4 420 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [1,1,0,0,0,0|1,0,0]=3 422 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [1,1,0,0,0,0|1,0,0]=3 423 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [1,1,0,0,0,0|1,0,1]=4 426 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,1,0,0,0,0|1,0,1]=4 427 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,1,0,0,0,0|1,0,0]=3 428 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,1,0,0,0,0|1,0,0]=3 429 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,1,0,0,0,0|0,0,0]=2 430 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,1,0,0,0,0|0,0,0]=2 431 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [1,1,0,0,0,0|2,0,0]=4 437 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,1,0,0,0,0|1,0,0]=3 438 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,1,0,0,0,0|1,0,0]=3 439 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,1,0,0,0,0|1,0,0]=3 440 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [1,1,0,0,0,0|1,0,1]=4 442 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [1,1,0,0,0,0|1,0,1]=4 443 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,1,0,0,0,0|1,0,1]=4 445 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,1,0,0,0,0|1,0,1]=4 446 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,1,0,0,0,0|1,0,0]=3 447 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,1,0,0,0,0|1,0,0]=3 448 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,1,0,0,0,0|0,0,1]=3 449 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,1,0,0,0,0|1,0,1]=4 450 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,1,0,0,0,0|0,0,1]=3 451 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,1,0,0,0,0|1,0,1]=4 452 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,1,0,0,0,0|1,0,1]=4 453 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,1,0,0,0,0|1,0,1]=4 454 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,1,0,0,0,0|0,0,0]=2 455 B9R1.6 CC(C)C1=CC=CN=C1 CNP0157310.0 [1,1,0,0,0,0|1,0,0]=3 456 B9R1.6 CC(C)C1=CCC=CC1 CNP0531274.0 [1,1,0,0,0,0|0,0,2]=4 457 B9R1.6 CC(C)C1=CN=CC=N1 CNP0293152.0 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.6 CC(O)C1=CN=CC=N1 CNP0588053.0 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.6 CN(C)C1=CC=NC=C1 CNP0362397.0 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,1,0,0,0,0|0,0,0]=2 462 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,1,0,0,0,0|0,0,0]=2 463 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,1,0,0,0,0|0,0,0]=2 464 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,1,0,0,0,0|0,0,0]=2 465 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,1,0,0,0,0|1,0,1]=4 467 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,1,0,0,0,0|1,0,1]=4 468 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,1,0,0,0,0|1,0,1]=4 469 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,1,0,0,0,0|1,0,1]=4 470 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,1,0,0,0,0|1,0,1]=4 471 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,1,0,0,0,0|1,0,1]=4 472 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,1,0,0,0,0|1,0,1]=4 473 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,1,0,0,0,0|0,0,1]=3 479 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,1,0,0,0,0|0,0,2]=4 480 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,1,0,0,0,0|0,0,2]=4 481 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,1,0,0,0,0|0,0,1]=3 482 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,1,0,0,0,0|1,0,1]=4 483 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,1,0,0,0,0|0,0,0]=2 484 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [1,1,0,0,0,0|1,0,0]=3 485 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [1,1,0,0,0,0|1,0,0]=3 486 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [1,1,0,0,0,0|1,0,0]=3 487 B9R1.8 CCCC1=CN=CC=N1 CNP0247099.0 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,1,0,0,0,0|0,0,0]=2 489 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,1,0,0,0,0|0,0,0]=2 490 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [1,1,0,0,0,0|1,0,0]=3 491 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,1,0,0,0,0|0,0,0]=2 492 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,1,0,0,0,0|0,0,0]=2 493 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,1,0,0,0,0|0,0,0]=2 494 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,1,0,0,0,0|1,0,0]=3 495 B9R1.8 CSSC1=CC=CC=N1 CNP0352994.0 [1,1,0,0,0,0|2,0,0]=4 496 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,1,0,0,0,0|0,0,1]=3 497 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,1,0,0,0,0|1,0,1]=4 498 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,1,0,0,0,0|0,0,1]=3 499 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,1,0,0,0,0|0,0,0]=2 500 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,1,0,0,0,0|1,0,0]=3 501 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,1,0,0,0,0|0,0,1]=3 502 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,1,0,0,0,0|1,0,1]=4 503 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,1,0,0,0,0|1,0,1]=4 504 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,1,0,0,0,0|1,0,1]=4 505 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,1,0,0,0,0|0,0,0]=2 506 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,1,0,0,0,0|1,0,1]=4 507 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,1,0,0,0,0|1,0,0]=3 508 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,1,0,0,0,0|1,0,1]=4 509 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,1,0,0,0,0|0,0,0]=2 510 B9R1.8 SCCC1=CN=CC=N1 CNP0194292.0 [1,1,0,0,0,0|2,0,0]=4 511 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [1,1,0,0,0,0|1,0,1]=4 512 B9R1.3 C=C1C=COC(=C1O)C CNP0335368.0 [1,1,0,0,0,0|1,1,0]=4 513 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [1,1,0,0,0,0|1,1,0]=4 514 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [1,1,0,0,0,0|1,1,0]=4 515 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [1,1,0,0,0,0|1,1,0]=4 516 B9R1.3 CC1=C(C=CC=C1Br)O CNP0597127.0 [1,1,0,0,0,0|0,1,0]=3 517 B9R1.3 CC1=C(C=CC=C1Cl)N CNP0102945.0 [1,1,0,0,0,0|1,0,0]=3 518 B9R1.3 CC1=C(C=CC=C1N)N CNP0199822.0 [1,1,0,0,0,0|1,0,0]=3 519 B9R1.3 CC1=C(C=CC=C1O)O CNP0572969.0 [1,1,0,0,0,0|0,1,0]=3 520 B9R1.3 CC1=C(C=COC1=O)O CNP0206261.0 [1,1,0,0,0,0|1,1,0]=4 521 B9R1.3 CC1=C(OC=CC1=O)O CNP0163753.0 [1,1,0,0,0,0|1,1,0]=4 522 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [1,1,0,0,0,0|1,0,0]=3 524 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [1,1,0,0,0,0|0,1,0]=3 525 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [1,1,0,0,0,0|1,0,0]=3 526 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [1,1,0,0,0,0|1,0,0]=3 527 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [1,1,0,0,0,0|0,1,0]=3 528 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [1,1,0,0,0,0|0,1,0]=3 529 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [1,1,0,0,0,0|0,0,0]=2 530 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [1,1,0,0,0,0|0,1,0]=3 531 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [1,1,0,0,0,0|2,0,0]=4 532 B9R1.3 CC1=CN=CC(=C1C)C CNP0297347.0 [1,1,0,0,0,0|2,0,0]=4 533 B9R1.3 NC1=C(C=CC=C1Cl)Cl CNP0029750.0 [1,1,0,0,0,0|2,0,0]=4 534 B9R1.3 NC1=CC=CC(=C1Cl)Cl CNP0079961.0 [1,1,0,0,0,0|2,0,0]=4 535 B9R1.3 O=C1C=CC=C(C1=O)O CNP0358701.0 [1,1,0,0,0,0|1,1,0]=4 536 B9R1.3 OC1=C(C=CC=C1Br)Br CNP0310547.0 [1,1,0,0,0,0|1,1,0]=4 537 B9R1.3 OC1=C(C=CC=C1Cl)Cl CNP0231789.0 [1,1,0,0,0,0|1,1,0]=4 538 B9R1.3 OC1=CC=CC(=C1Br)Br CNP0592928.0 [1,1,0,0,0,0|1,1,0]=4 539 B9R1.3 OC1=CC=CC(=C1Cl)Cl CNP0060336.0 [1,1,0,0,0,0|1,1,0]=4 540 B9R1.3 OC1=CC=CC(=C1O)O CNP0308187.0 [1,1,0,0,0,0|1,1,0]=4 541 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [1,1,0,0,0,0|2,0,0]=4 542 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [1,1,0,0,0,0|1,0,0]=3 543 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [1,1,0,0,0,0|1,0,0]=3 544 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [1,1,0,0,0,0|1,0,0]=3 545 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [1,1,0,0,0,0|1,0,0]=3 546 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [1,1,0,0,0,0|1,0,0]=3 547 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [1,1,0,0,0,0|1,0,0]=3 548 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [1,1,0,0,0,0|1,0,0]=3 549 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [1,1,0,0,0,0|1,0,0]=3 550 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [1,1,0,0,0,0|0,1,0]=3 551 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [1,1,0,0,0,0|0,1,0]=3 552 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [1,1,0,0,0,0|2,0,0]=4 553 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [1,1,0,0,0,0|1,0,0]=3 557 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [1,1,0,0,0,0|1,0,0]=3 558 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [1,1,0,0,0,0|0,1,0]=3 559 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [1,1,0,0,0,0|1,0,0]=3 560 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [1,1,0,0,0,0|2,0,0]=4 561 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [1,1,0,0,0,0|2,0,0]=4 562 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [1,1,0,0,0,0|1,1,0]=4 563 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [1,1,0,0,0,0|2,0,0]=4 564 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [1,1,0,0,0,0|1,0,0]=3 565 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [1,1,0,0,0,0|2,0,0]=4 566 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [1,1,0,0,0,0|2,0,0]=4 567 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [1,1,0,0,0,0|1,1,0]=4 568 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [1,1,0,0,0,0|1,0,0]=3 569 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [1,1,0,0,0,0|0,1,0]=3 570 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [1,1,0,0,0,0|1,1,0]=4 571 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [1,1,0,0,0,0|2,0,0]=4 572 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [1,1,0,0,0,0|1,1,0]=4 573 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [1,1,0,0,0,0|1,0,0]=3 574 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [1,1,0,0,0,0|1,0,0]=3 575 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [1,1,0,0,0,0|1,0,0]=3 576 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [1,1,0,0,0,0|1,0,0]=3 577 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [1,1,0,0,0,0|1,0,0]=3 578 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [1,1,0,0,0,0|1,0,0]=3 579 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [1,1,0,0,0,0|1,0,0]=3 580 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [1,1,0,0,0,0|0,1,0]=3 581 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [1,1,0,0,0,0|2,0,0]=4 582 B9R1.69 CC1=CNC(=O)C=C1O CNP0017901.0 [1,1,0,0,0,0|1,1,0]=4 583 B9R1.69 C[N+]1=CC(=CC=C1N)I CNP0606794.0 [1,1,0,0,0,0|2,0,0]=4 584 B9R1.69 ClC1=CC=C(C(=C1)Cl)Cl CNP0206286.0 [1,1,0,0,0,0|2,0,0]=4 585 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [1,1,0,0,0,0|1,1,0]=4 586 B9R1.69 NC1=CC(=CC=C1Cl)Cl CNP0040093.0 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [1,1,0,0,0,0|1,1,0]=4 588 B9R1.69 NC1=CC(=CC=C1S)Cl CNP0458275.0 [1,1,0,0,0,0|1,0,0]=3 589 B9R1.69 NC1=CC=C(C(=C1)N)N CNP0131312.0 [1,1,0,0,0,0|2,0,0]=4 590 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [1,1,0,0,0,0|1,1,0]=4 591 B9R1.69 NC1=CC=C(C=C1Br)Br CNP0063783.0 [1,1,0,0,0,0|2,0,0]=4 592 B9R1.69 NC1=CC=C(C=C1Cl)Cl CNP0048955.0 [1,1,0,0,0,0|2,0,0]=4 593 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [1,1,0,0,0,0|1,1,0]=4 594 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [1,1,0,0,0,0|1,1,0]=4 595 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [1,1,0,0,0,0|1,1,0]=4 596 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [1,1,0,0,0,0|2,0,0]=4 597 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [1,1,0,0,0,0|1,1,0]=4 598 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [1,1,0,0,0,0|1,1,0]=4 599 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [1,1,0,0,0,0|1,1,0]=4 600 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [1,1,0,0,0,0|1,1,0]=4 601 B9R1.14 CCC1=CSC=C1CC CNP0002506.0 [0,1,0,0,1,0|2,0,0]=4 602 B9R1.14 CCN1C=CC=C1C=O CNP0138436.0 [0,1,0,0,1,0|1,1,0]=4 603 B9R1.24 CCC1=CC=CC1(C)C CNP0109712.0 [0,1,0,0,1,0|1,0,1]=4 604 B9R1.27 CCC1=C(SC=C1C)C CNP0290870.0 [0,1,0,0,1,0|2,0,0]=4 605 B9R1.27 CCN1C(=O)C=CC1=O CNP0447617.0 [0,1,0,0,1,0|1,1,0]=4 606 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [0,1,0,0,1,0|2,0,0]=4 607 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [0,1,0,0,1,0|2,0,0]=4 608 B11R1.66 COC1=C(C=CC=CC1=O)O CNP0053010.0 [0,1,0,0,0,1|1,1,0]=4 609 B11R1.381 COC1=C(C(=O)C=CC=C1)O CNP0528204.0 [0,1,0,0,0,1|1,1,0]=4 610 B11R1.381 COC1=CC=CC=C(C1=O)O CNP0345100.0 [0,1,0,0,0,1|1,1,0]=4 611 B11R1.8 COC1=CC(=CC(=C1C)O)C CNP0174177.0 [0,2,0,0,0,0|2,0,0]=4 612 B11R1.8 COC1=CC(=CC(=C1C)O)O CNP0262935.0 [0,2,0,0,0,0|2,0,0]=4 613 B11R1.8 COC1=CC(=CC(=C1O)Br)Br CNP0067769.0 [0,2,0,0,0,0|1,1,0]=4 614 B11R1.8 COC1=CC(=CC(=C1O)C)O CNP0140056.0 [0,2,0,0,0,0|1,1,0]=4 615 B11R1.8 COC1=CC(=CC(=C1O)O)C CNP0147274.0 [0,2,0,0,0,0|1,1,0]=4 616 B11R1.8 COC1=CC(=CC(=C1O)O)O CNP0350475.0 [0,2,0,0,0,0|1,1,0]=4 617 B11R1.8 COC1=CC(=O)C=C(C1=O)C CNP0357550.0 [0,2,0,0,0,0|1,1,0]=4 618 B11R1.8 O=C1C=C(C(=O)C(=C1)CO)Cl CNP0274303.0 [0,2,0,0,0,0|1,1,0]=4 619 B11R1.8 OCC1=CC(=CC(=C1O)Br)O CNP0073176.0 [0,2,0,0,0,0|1,1,0]=4 620 B11R1.8 OCC1=CC(=CC(=C1O)Cl)O CNP0321775.0 [0,2,0,0,0,0|1,1,0]=4 621 B11R1.8 OCC1=CC(=CC(=C1O)O)O CNP0551970.0 [0,2,0,0,0,0|1,1,0]=4 622 B11R1.13 C=CCC1=CC=CC(=C1O)C CNP0326275.0 [0,2,0,0,0,0|0,1,1]=4 623 B11R1.13 C=CCC1=CC=CC(=C1O)O CNP0228309.0 [0,2,0,0,0,0|0,1,1]=4 624 B11R1.13 CCCC1=CC=CC(=C1C)C CNP0310285.0 [0,2,0,0,0,0|1,0,0]=3 625 B11R1.13 CCCC1=CC=CC(=C1O)O CNP0519779.0 [0,2,0,0,0,0|0,1,0]=3 626 B11R1.13 CCOC1=CC=CC(=C1C)C CNP0186598.0 [0,2,0,0,0,0|1,0,0]=3 627 B11R1.13 CCOC1=CC=CC(=C1C)O CNP0350443.0 [0,2,0,0,0,0|1,0,0]=3 628 B11R1.72 CCC1=C(C(=O)C=CC1=O)C CNP0115905.0 [0,2,0,0,0,0|0,1,0]=3 629 B11R1.72 CCC1=C(C=CC(=C1C)O)O CNP0216521.0 [0,2,0,0,0,0|0,1,0]=3 630 B11R1.72 COC1=C(C(=O)C=CC1=O)C CNP0331227.0 [0,2,0,0,0,0|1,1,0]=4 631 B11R1.72 COC1=C(C=CC(=C1C)C)C CNP0076001.0 [0,2,0,0,0,0|2,0,0]=4 632 B11R1.72 COC1=C(C=CC(=C1C)O)O CNP0104161.0 [0,2,0,0,0,0|1,1,0]=4 633 B11R1.159 C=C(C)C1=CC=CC(=C1C)O CNP0547009.0 [0,2,0,0,0,0|1,0,1]=4 634 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [0,2,0,0,0,0|0,1,1]=4 635 B11R1.159 CC(C)C1=CC=CC(=C1O)O CNP0066936.0 [0,2,0,0,0,0|0,1,0]=3 636 B11R1.159 CC1=C(C=CC=C1C(C)C)O CNP0487698.0 [0,2,0,0,0,0|1,0,0]=3 637 B11R1.159 CC1=CC=CC(=C1N)C(C)C CNP0611703.0 [0,2,0,0,0,0|1,0,0]=3 638 B11R1.265 COC1=CC=CC(=C1C=O)C CNP0303374.0 [0,2,0,0,0,0|1,1,0]=4 639 B11R1.265 COC1=CC=CC(=C1OC)O CNP0219911.0 [0,2,0,0,0,0|1,1,0]=4 640 B11R1.265 [2H]C1=CC=CC(=C1OC)OC CNP0522094.0 [0,2,0,0,0,0|1,1,0]=4 641 B11R1.267 C=CC1=CC=CC(=C1O)OC CNP0519392.0 [0,2,0,0,0,0|1,1,0]=4 642 B11R1.267 CCC1=CC=CC(=C1N)CC CNP0066984.0 [0,2,0,0,0,0|1,0,0]=3 643 B11R1.267 CCC1=CC=CC(=C1O)OC CNP0598934.0 [0,2,0,0,0,0|0,1,0]=3 644 B11R1.267 COC1=CC=CC(=C1C)OC CNP0500612.0 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.267 COC1=CC=CC(=C1O)C=O CNP0274414.0 [0,2,0,0,0,0|1,1,0]=4 646 B11R1.267 COC1=CC=CC(=C1O)OC CNP0421772.0 [0,2,0,0,0,0|1,1,0]=4 647 B11R1.278 CCC1=CC=C(C(=C1O)C)C CNP0328437.0 [0,2,0,0,0,0|0,1,0]=3 648 B11R1.278 COC1=CC=C(C(=C1Br)C)Cl CNP0611848.0 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.278 COC1=CC=C(C(=C1C)C)Br CNP0059488.0 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.278 COC1=CC=C(C(=O)C1=O)C CNP0534932.0 [0,2,0,0,0,0|1,1,0]=4 651 B11R1.17 C=CCOC1=CC=CC=C1O CNP0343485.0 [0,2,0,0,0,0|0,1,1]=4 652 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [0,2,0,0,0,0|1,0,1]=4 653 B11R1.17 CC1=CC=CC=C1CSC#N CNP0032875.0 [0,2,0,0,0,0|1,0,1]=4 654 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [0,2,0,0,0,0|0,1,0]=3 656 B11R1.17 CCCOC1=CC=CC=C1O CNP0327850.0 [0,2,0,0,0,0|0,1,0]=3 657 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [0,2,0,0,0,0|0,1,0]=3 658 B11R1.17 N#CCCC1=CC=CC=C1O CNP0332973.0 [0,2,0,0,0,0|0,1,0]=3 659 B11R1.17 N#CCCN1C=CC=CC1=O CNP0136265.0 [0,2,0,0,0,0|1,1,0]=4 660 B11R1.17 OCCCC1=CC=CC=C1O CNP0519688.0 [0,2,0,0,0,0|0,1,0]=3 661 B11R1.41 C=CC1=CN=CC=C1CCO CNP0267884.0 [0,2,0,0,0,0|2,0,0]=4 662 B11R1.41 CCC1=CC=CC=C1N=C=S CNP0612019.0 [0,2,0,0,0,0|0,0,1]=3 663 B11R1.41 CCOC1=CC=CC=C1C=O CNP0187800.0 [0,2,0,0,0,0|0,1,0]=3 664 B11R1.41 CCOC1=CC=CC=C1OC CNP0003445.0 [0,2,0,0,0,0|0,1,0]=3 665 B11R1.41 COC1=CC=CC=C1CCO CNP0135812.0 [0,2,0,0,0,0|0,1,0]=3 666 B11R1.41 O=CCC1=CC=CC=C1N=O CNP0200074.0 [0,2,0,0,0,0|0,1,1]=4 667 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [0,2,0,0,0,0|0,1,1]=4 668 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [0,2,0,0,0,0|0,1,1]=4 669 B11R1.81 CCCC1=CC=C(C=C1C)C CNP0112480.0 [0,2,0,0,0,0|1,0,0]=3 670 B11R1.81 CCCC1=CC=C(C=C1O)C CNP0518001.0 [0,2,0,0,0,0|0,1,0]=3 671 B11R1.81 CCOC1=CC=C(C=C1Br)Br CNP0017924.0 [0,2,0,0,0,0|1,0,0]=3 672 B11R1.81 CNCC1=CC=C(C=C1O)Cl CNP0445122.0 [0,2,0,0,0,0|0,1,0]=3 673 B11R1.81 N#CCC1=CC=C(C=C1O)O CNP0137512.0 [0,2,0,0,0,0|0,1,1]=4 674 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [0,2,0,0,0,0|0,1,0]=3 675 B11R1.86 CC(=O)C[N+]1=CC=CC=C1Br CNP0514161.0 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.86 CC(=O)C[N+]1=CC=CC=C1N CNP0557788.0 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,2,0,0,0,0|1,0,1]=4 678 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,2,0,0,0,0|1,0,1]=4 679 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,2,0,0,0,0|1,0,1]=4 680 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,2,0,0,0,0|0,1,1]=4 681 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,2,0,0,0,0|1,0,1]=4 682 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,2,0,0,0,0|1,0,1]=4 683 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [0,2,0,0,0,0|0,1,0]=3 684 B11R1.86 CC(C)OC1=CC=CC=C1O CNP0590959.0 [0,2,0,0,0,0|0,1,0]=3 685 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,2,0,0,0,0|1,0,1]=4 686 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,2,0,0,0,0|0,1,1]=4 687 B11R1.182 C=CCC1=CC(=CC=C1O)C CNP0574196.0 [0,2,0,0,0,0|0,1,1]=4 688 B11R1.182 CCCC1=CC(=CC=C1C)C CNP0284162.0 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.182 CCCC1=CC(=O)C=CC1=O CNP0227837.0 [0,2,0,0,0,0|0,1,0]=3 690 B11R1.182 CCOC1=CC(=CC=C1C)C CNP0288250.0 [0,2,0,0,0,0|1,0,0]=3 691 B11R1.182 CCOC1=CC(=O)C=CC1=O CNP0125200.0 [0,2,0,0,0,0|0,1,0]=3 692 B11R1.182 COCC1=CC(=CC=C1O)O CNP0113294.0 [0,2,0,0,0,0|0,1,0]=3 693 B11R1.222 CC(=NO)C1=CC=CC=C1N CNP0306135.0 [0,2,0,0,0,0|1,0,1]=4 694 B11R1.222 CCC(=O)C1=CC=CC=C1N CNP0041241.0 [0,2,0,0,0,0|1,0,0]=3 695 B11R1.222 CCC(C)C1=CC=CC=C1O CNP0038393.0 [0,2,0,0,0,0|0,1,0]=3 696 B11R1.222 COC(=O)C1=CC=CC=C1I CNP0211185.0 [0,2,0,0,0,0|1,0,1]=4 697 B11R1.222 COC(=O)C1=CC=CC=C1N CNP0163520.0 [0,2,0,0,0,0|1,0,1]=4 698 B11R1.222 COC(=O)C1=CC=CC=C1O CNP0320906.0 [0,2,0,0,0,0|0,1,1]=4 699 B11R1.222 [11CH3]OC(=O)C1=CC=CC=C1O CNP0584467.0 [0,2,0,0,0,0|0,1,1]=4 700 B11R1.605 CCCC1=C(C=CC=C1C)C CNP0181300.0 [0,2,0,0,0,0|1,0,0]=3 701 B11R1.605 CCCC1=C(C=CC=C1O)C CNP0602938.0 [0,2,0,0,0,0|0,1,0]=3 702 B11R1.605 CCOC1=C(C=CC=C1C)C CNP0305995.0 [0,2,0,0,0,0|1,0,0]=3 703 B11R1.37 C=CC1=CC=C(C=C1OC)O CNP0611852.0 [0,2,0,0,0,0|2,0,0]=4 704 B11R1.37 CCC1=CC=C(C=C1CC)C CNP0183897.0 [0,2,0,0,0,0|1,0,0]=3 705 B11R1.37 CCC1=CC=C(C=C1CC)O CNP0155765.0 [0,2,0,0,0,0|1,0,0]=3 706 B11R1.37 CCC1=CC=C(C=C1CO)C CNP0299444.0 [0,2,0,0,0,0|0,1,0]=3 707 B11R1.37 COC1=CC(=CC=C1C=O)O CNP0328475.0 [0,2,0,0,0,0|1,1,0]=4 708 B11R1.37 COC1=CC(=O)C=CC1=[N+]=[N-] CNP0510276.0 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.37 COC1=CC=C(C=C1C=O)O CNP0214934.0 [0,2,0,0,0,0|1,1,0]=4 710 B11R1.37 COC1=CC=C(C=C1OC)C CNP0142648.0 [0,2,0,0,0,0|1,1,0]=4 711 B11R1.37 COC1=CC=C(C=C1OC)I CNP0034495.0 [0,2,0,0,0,0|1,1,0]=4 712 B11R1.37 COC1=CC=C(C=C1OC)O CNP0220201.0 [0,2,0,0,0,0|1,1,0]=4 713 B11R1.53 C=C(C)C1=CC=CC=C1CO CNP0577541.0 [0,2,0,0,0,0|0,1,1]=4 714 B11R1.53 C=C(C)C1=CC=CC=C1OC CNP0134279.0 [0,2,0,0,0,0|0,1,1]=4 715 B11R1.53 CC(=O)C1=CC=CC=C1NO CNP0493046.0 [0,2,0,0,0,0|0,1,1]=4 716 B11R1.53 CC(C)C1=CC=CC=C1C=O CNP0492852.0 [0,2,0,0,0,0|0,1,0]=3 717 B11R1.53 CC(O)C1=CC=CC=C1CO CNP0540507.0 [0,2,0,0,0,0|0,1,0]=3 718 B11R1.53 CCC1=NC=CC=C1C(=O)N CNP0233596.0 [0,2,0,0,0,0|1,1,0]=4 719 B11R1.53 CN(C)C1=CC=CC=C1CO CNP0418258.0 [0,2,0,0,0,0|1,1,0]=4 720 B11R1.53 CNC1=CC=CC=C1C(=O)N CNP0211327.0 [0,2,0,0,0,0|1,1,0]=4 721 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [0,2,0,0,0,0|1,1,0]=4 722 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [0,2,0,0,0,0|1,1,0]=4 723 B11R1.53 COC1=CC=CC=C1C(C)C CNP0578061.0 [0,2,0,0,0,0|0,1,0]=3 724 B11R1.53 COC1=CC=CC=C1N(C)C CNP0375184.0 [0,2,0,0,0,0|1,1,0]=4 725 B11R1.53 CSC1=NC=CN=C1C(C)C CNP0083248.0 [0,2,0,0,0,0|2,0,0]=4 726 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [0,2,0,0,0,0|1,1,0]=4 727 B11R1.53 O=[N+]([O-])C1=CC=CC=C1SCl CNP0516221.0 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,2,0,0,0,0|1,0,1]=4 729 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,2,0,0,0,0|1,0,1]=4 730 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,2,0,0,0,0|0,1,1]=4 731 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,2,0,0,0,0|0,1,1]=4 732 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,2,0,0,0,0|0,1,1]=4 733 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [0,2,0,0,0,0|1,0,0]=3 734 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [0,2,0,0,0,0|1,0,0]=3 735 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [0,2,0,0,0,0|0,1,0]=3 736 B11R1.277 CC1=CC(=C(C=C1C)CO)C CNP0612014.0 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.277 CCC1=CC(=C(C=C1C)C)C CNP0561211.0 [0,2,0,0,0,0|1,0,0]=3 738 B11R1.277 CCC1=CC(=C(C=C1O)C)C CNP0088843.0 [0,2,0,0,0,0|0,1,0]=3 739 B11R1.277 CCC1=CC(=O)C(=CC1=O)C CNP0227006.0 [0,2,0,0,0,0|0,1,0]=3 740 B11R1.277 COC1=CC(=C(C=C1C)Br)C CNP0408849.0 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.277 COC1=CC(=C(C=C1C)C)C CNP0537102.0 [0,2,0,0,0,0|2,0,0]=4 742 B11R1.277 COC1=CC(=C(C=C1O)C)O CNP0167756.0 [0,2,0,0,0,0|1,1,0]=4 743 B11R1.277 COC1=CC(=O)C(=CC1=O)C CNP0269462.0 [0,2,0,0,0,0|1,1,0]=4 744 B11R1.277 OCC1=CC(=C(C=C1O)Cl)O CNP0329388.0 [0,2,0,0,0,0|1,1,0]=4 745 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [0,2,0,0,0,0|1,1,0]=4 746 B11R1.279 CCC1=CC=C(C(=C1)C)CC CNP0174684.0 [0,2,0,0,0,0|1,0,0]=3 747 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [0,2,0,0,0,0|1,1,0]=4 748 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [0,2,0,0,0,0|2,0,0]=4 752 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [0,2,0,0,0,0|1,1,0]=4 753 B11R1.279 COC1=CC=C(C=C1Br)C=O CNP0185743.0 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.279 COC1=CC=C(C=C1C)C=O CNP0009035.0 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.279 COC1=CC=C(C=C1Cl)C=O CNP0247895.0 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [0,2,0,0,0,0|1,1,0]=4 759 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [0,2,0,0,0,0|1,1,0]=4 760 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [0,2,0,0,0,0|1,1,0]=4 761 B11R1.279 NCC1=CC=C(C(=C1)O)CO CNP0119562.0 [0,2,0,0,0,0|1,1,0]=4 762 B11R1.464 CCC1=C(C=C(C=C1C)C)C CNP0246344.0 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.464 CCC1=C(C=C(C=C1C)O)C CNP0365832.0 [0,2,0,0,0,0|1,0,0]=3 764 B11R1.464 CCC1=C(C=C(C=C1Cl)C)C CNP0233565.0 [0,2,0,0,0,0|1,0,0]=3 765 B11R1.464 CCC1=C(C=C(N=C1Cl)C)Cl CNP0188033.0 [0,2,0,0,0,0|2,0,0]=4 766 B11R1.464 CCC1=C(C=C(OC1=O)C)O CNP0431819.0 [0,2,0,0,0,0|1,1,0]=4 767 B11R1.464 COC1=C(C=C(C=C1Br)Br)Br CNP0126610.0 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.464 COC1=C(C=C(C=C1Br)Br)O CNP0097750.0 [0,2,0,0,0,0|1,1,0]=4 769 B11R1.464 COC1=C(C=C(C=C1Br)O)Br CNP0178459.0 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.464 COC1=C(C=C(C=C1C)C)C CNP0565570.0 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.464 COC1=C(C=C(C=C1Cl)Cl)Cl CNP0178727.0 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.464 COC1=C(C=C(C=C1O)O)O CNP0224483.0 [0,2,0,0,0,0|1,1,0]=4 773 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,2,0,0,0,0|1,0,1]=4 774 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [0,2,0,0,0,0|0,1,1]=4 775 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,2,0,0,0,0|0,1,1]=4 776 B11R1.167 CC1=CC=C(C(=C1)C(C)C)C CNP0319974.0 [0,2,0,0,0,0|1,0,0]=3 777 B11R1.167 CC1=CC=C(C(=C1)C(C)C)O CNP0297378.0 [0,2,0,0,0,0|0,1,0]=3 778 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [0,2,0,0,0,0|1,1,0]=4 779 B11R1.280 C=CC1=CC=C(C(=C1)OC)O CNP0357819.0 [0,2,0,0,0,0|1,1,0]=4 780 B11R1.280 CCC1=CC(=NO)C=CC1=O CNP0188606.0 [0,2,0,0,0,0|0,1,0]=3 781 B11R1.280 CCC1=CC=C(C(=C1)CC)C CNP0134602.0 [0,2,0,0,0,0|1,0,0]=3 782 B11R1.280 CCC1=CC=C(C(=C1)OC)C CNP0257657.0 [0,2,0,0,0,0|2,0,0]=4 783 B11R1.280 CCC1=CC=C(C(=C1)OC)O CNP0401902.0 [0,2,0,0,0,0|1,1,0]=4 784 B11R1.280 COC1=CC(=CC=C1Cl)C=O CNP0146169.0 [0,2,0,0,0,0|2,0,0]=4 785 B11R1.280 COC1=CC(=CC=C1O)C#N CNP0252520.0 [0,2,0,0,0,0|1,1,0]=4 786 B11R1.280 COC1=CC(=CC=C1O)C=O CNP0270199.0 [0,2,0,0,0,0|1,1,0]=4 787 B11R1.280 COC1=CC(=CC=C1O)CN CNP0052909.0 [0,2,0,0,0,0|1,1,0]=4 788 B11R1.280 COC1=CC(=CC=C1O)CO CNP0268270.0 [0,2,0,0,0,0|1,1,0]=4 789 B11R1.280 COC1=CC(=CC=C1O)OO CNP0508207.0 [0,2,0,0,0,0|1,1,0]=4 790 B11R1.280 COC1=CC=C(C(=C1)OC)Br CNP0018842.0 [0,2,0,0,0,0|2,0,0]=4 791 B11R1.280 COC1=CC=C(C(=C1)OC)O CNP0124974.0 [0,2,0,0,0,0|1,1,0]=4 792 B11R1.87 CC(C)(C)C1=CC=CC=C1O CNP0079851.0 [0,2,0,0,0,0|0,1,0]=3 793 B11R1.87 CC(C)(C)C1=NC=CC=C1O CNP0517568.0 [0,2,0,0,0,0|1,1,0]=4 794 B11R1.87 C[P@@](=O)(O)C1=CC=CC=C1O CNP0454510.1 [0,2,0,0,0,0|1,1,0]=4 795 B11R1.156 C=C(C)C1=C(C=CC=C1O)C CNP0547985.0 [0,2,0,0,0,0|0,1,1]=4 796 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [0,2,0,0,0,0|0,1,1]=4 797 B11R1.156 CC(=O)C1=C(C=CC=C1O)O CNP0132108.0 [0,2,0,0,0,0|0,1,1]=4 798 B9R1.50 C=C1C=CC=CCCC1 CNP0503411.0 [0,0,1,1,0,0|1,0,1]=4 799 B9R1.11 CCC(=O)C1=CC=CN1 CNP0311419.0 [0,0,1,1,0,0|2,0,0]=4 800 B9R1.11 CCC(=O)C1=CC=CO1 CNP0230679.0 [0,0,1,1,0,0|1,1,0]=4 801 B9R1.11 CCC(=O)C1=CC=CS1 CNP0274968.0 [0,0,1,1,0,0|1,0,0]=3 802 B9R1.11 CCC(=O)C1=NC=CS1 CNP0135536.0 [0,0,1,1,0,0|2,0,0]=4 803 B9R1.103 C1=CC=CSC=CC=C1 CNP0542373.0 [0,0,1,1,0,0|0,0,2]=4 804 B9R1.21 CCC1=CNC(=C1)C=O CNP0109135.0 [0,0,1,1,0,0|2,0,0]=4 805 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,1,0,0|0,0,0]=2 806 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [1,0,0,1,0,0|0,0,2]=4 807 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [0,1,0,1,0,0|1,0,1]=4 808 B11R2.106 CC1=CC=CC2=C1C=CC2 CNP0382837.0 [0,1,0,1,0,0|1,0,1]=4 809 B11R2.106 CC1=CC=CC2=C1CCC2 CNP0306723.0 [0,1,0,1,0,0|1,0,0]=3 810 B11R2.106 NC1=CC=CC2=C1OCO2 CNP0040687.0 [0,1,0,1,0,0|1,1,0]=4 811 B11R2.106 OC1=CC=CC2=C1CCC2 CNP0204315.0 [0,1,0,1,0,0|0,1,0]=3 812 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [0,1,0,1,0,0|1,0,1]=4 813 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [0,1,0,1,0,0|0,1,1]=4 814 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [0,1,0,1,0,0|0,0,1]=3 815 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [0,1,0,1,0,0|0,1,1]=4 816 B11R2.10 CC1=NC2=CC=CC=C2S1 CNP0308312.0 [0,1,0,1,0,0|0,0,1]=3 817 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 CNP0247446.2 [0,1,0,1,0,0|1,0,0]=3 818 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 CNP0247446.1 [0,1,0,1,0,0|1,0,0]=3 819 B11R2.10 NC1=NC2=CC=CC=C2S1 CNP0256238.0 [0,1,0,1,0,0|1,0,1]=4 820 B11R2.10 NC1N=C2C=CC=CC2=N1 CNP0551508.0 [0,1,0,1,0,0|2,0,0]=4 821 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [0,1,0,1,0,0|1,0,1]=4 822 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,1,0,1,0,0|0,1,1]=4 823 B11R2.10 O=C1NC2=CC=CC=C2S1 CNP0569879.0 [0,1,0,1,0,0|1,0,1]=4 824 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [0,1,0,1,0,0|1,0,1]=4 825 B11R2.10 OC1=NC2=CC=CC=C2S1 CNP0172585.0 [0,1,0,1,0,0|1,0,1]=4 826 B11R2.10 S=C1NC2=CC=CC=C2S1 CNP0144165.0 [0,1,0,1,0,0|1,0,1]=4 827 B11R2.10 SC1=NC2=CC=CC=C2S1 CNP0527049.0 [0,1,0,1,0,0|1,0,1]=4 828 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [0,1,0,1,0,0|1,0,0]=3 829 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [0,1,0,1,0,0|1,0,1]=4 830 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [0,1,0,1,0,0|0,1,1]=4 831 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [0,1,0,1,0,0|1,0,0]=3 832 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [0,1,0,1,0,0|1,0,0]=3 833 B11R2.20 C1=CC=C2NCCCC2=C1 CNP0160283.0 [0,1,0,1,0,0|1,0,0]=3 834 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [0,1,0,1,0,0|0,1,0]=3 835 B11R2.20 C1=CN=C2CCCCC2=C1 CNP0031411.0 [0,1,0,1,0,0|2,0,0]=4 836 B11R2.55 CC1=CC=CC=C1C2CO2 CNP0595816.0 [0,1,0,1,0,0|1,0,0]=3 837 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [0,1,0,1,0,0|1,0,1]=4 838 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [0,1,0,1,0,0|1,0,1]=4 839 B11R2.988 N#C[C@@H]1CC2=CC=CC=C12 CNP0391601.2 [0,1,0,1,0,0|1,0,1]=4 840 B11R2.988 N#C[C@H]1CC2=CC=CC=C12 CNP0391601.1 [0,1,0,1,0,0|1,0,1]=4 841 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [0,1,0,1,0,0|0,0,2]=4 842 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [0,1,0,1,0,0|1,0,1]=4 843 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [0,1,0,1,0,0|1,0,1]=4 844 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [0,1,0,1,0,0|0,0,1]=3 845 B11R2.1 CN1N=NC2=CC=CC=C12 CNP0059083.0 [0,1,0,1,0,0|2,0,0]=4 846 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [0,1,0,1,0,0|1,0,0]=3 847 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [0,1,0,1,0,0|1,0,0]=3 848 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [0,1,0,1,0,0|1,0,0]=3 849 B11R2.1 C[C@H]1CCC2=CC=NC=C12 CNP0192635.1 [0,1,0,1,0,0|2,0,0]=4 850 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [0,1,0,1,0,0|2,0,0]=4 851 B11R2.1 NC1=NSC2=CC=CC=C12 CNP0506740.0 [0,1,0,1,0,0|1,0,1]=4 852 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [0,1,0,1,0,0|2,0,0]=4 853 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [0,1,0,1,0,0|0,1,0]=3 854 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [0,1,0,1,0,0|1,0,1]=4 855 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [0,1,0,1,0,0|0,1,1]=4 856 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [0,1,0,1,0,0|1,1,0]=4 857 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [0,1,0,1,0,0|1,0,1]=4 858 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [0,1,0,1,0,0|1,1,0]=4 859 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [0,1,0,1,0,0|1,1,0]=4 860 B11R2.54 O=C1C2=CC=CC=C2[C@@H]1Cl CNP0371537.2 [0,1,0,1,0,0|1,1,0]=4 861 B11R2.54 O=C1C2=CC=CC=C2[C@H]1Cl CNP0371537.1 [0,1,0,1,0,0|1,1,0]=4 862 B11R2.36 BrC1=CC=C2CC=CC2=C1 CNP0185507.0 [0,1,0,1,0,0|1,0,1]=4 863 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [0,1,0,1,0,0|1,0,0]=3 864 B11R2.36 CC1=CC=C2CCCC2=N1 CNP0269261.0 [0,1,0,1,0,0|2,0,0]=4 865 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [0,1,0,1,0,0|1,0,1]=4 866 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [0,1,0,1,0,0|1,0,0]=3 867 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [0,1,0,1,0,0|1,0,0]=3 868 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [0,1,0,1,0,0|0,1,0]=3 869 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [0,1,0,1,0,0|1,1,0]=4 870 B11R2.610 CC1=CC(=C2CCC2=C1)C CNP0050950.0 [0,1,0,1,0,0|1,0,0]=3 871 B11R2.59 CC1(CC2=CC=CC=C12)C CNP0056719.0 [0,1,0,1,0,0|1,0,0]=3 872 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [0,1,0,1,0,0|1,0,0]=3 873 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [0,1,0,1,0,0|1,0,0]=3 874 B11R2.59 ClC1(CC2=CC=CC=C12)Cl CNP0229981.0 [0,1,0,1,0,0|2,0,0]=4 875 B11R2.468 O=C1CC2=CC=CC(=C12)Br CNP0327870.0 [0,1,0,1,0,0|1,0,1]=4 876 B11R2.468 O=C1CC2=CC=CC(=C12)Cl CNP0193006.0 [0,1,0,1,0,0|1,0,1]=4 877 B7R1.1 CCC1=CC=CO1 CNP0402547.0 [1,0,0,0,1,0|1,0,0]=3 878 B7R1.1 CCC1=CC=CS1 CNP0405107.0 [1,0,0,0,1,0|1,0,0]=3 879 B7R1.1 CCC1=COC=C1 CNP0136418.0 [1,0,0,0,1,0|1,0,0]=3 880 B7R1.1 CCC1=CSC=C1 CNP0267198.0 [1,0,0,0,1,0|1,0,0]=3 881 B7R1.1 CCC1=NC=CS1 CNP0206637.0 [1,0,0,0,1,0|2,0,0]=4 882 B7R1.1 CCN1C=CC=C1 CNP0076212.0 [1,0,0,0,1,0|1,0,0]=3 883 B7R1.1 COC1=CC=CN1 CNP0098587.0 [1,0,0,0,1,0|2,0,0]=4 884 B7R1.1 COC1=COC=C1 CNP0503708.0 [1,0,0,0,1,0|2,0,0]=4 885 B7R1.1 CSC1=CSC=C1 CNP0003154.0 [1,0,0,0,1,0|2,0,0]=4 886 B7R1.1 OCC1=CC=CO1 CNP0152361.0 [1,0,0,0,1,0|2,0,0]=4 887 B7R1.1 OCC1=CC=CS1 CNP0037393.0 [1,0,0,0,1,0|2,0,0]=4 888 B7R1.1 OCC1=COC=C1 CNP0248845.0 [1,0,0,0,1,0|2,0,0]=4 889 B7R1.1 OCC1=CSC=C1 CNP0002403.0 [1,0,0,0,1,0|2,0,0]=4 890 B7R1.1 SCC1=CC=CO1 CNP0246335.0 [1,0,0,0,1,0|2,0,0]=4 891 B7R1.1 SCC1=CC=CS1 CNP0040483.0 [1,0,0,0,1,0|2,0,0]=4 892 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [1,0,0,0,1,0|1,0,0]=3 893 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [1,0,0,0,1,0|1,0,0]=3 894 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,0,0,0,1,0|2,0,0]=4 895 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [1,0,0,0,1,0|2,0,0]=4 896 B7R1.4 CC1=CSC=C1C CNP0084292.0 [1,0,0,0,1,0|2,0,0]=4 897 B7R1.4 CN1C=CN=C1S CNP0605467.0 [1,0,0,0,1,0|2,0,0]=4