0 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.30 CC1=CC=C(C(=C1)C#N)C CNP0233289.0 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.30 CC1=CC=C(C(=C1)C#N)Cl CNP0033668.0 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.30 CCC1=NC(=CN=C1C)C CNP0404153.0 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.30 CCN1C=C(C=CC1=O)Br CNP0062545.0 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.30 CN1C=CC(=O)C(=C1)C#N CNP0196141.0 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.30 CN=C1NC(=NC=C1O)O CNP0566412.0 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [0,0,0,0,0,0|0,0,0]=0 18 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [0,0,0,0,0,0|1,0,0]=1 19 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [0,0,0,0,0,0|1,0,1]=2 20 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [0,0,0,0,0,0|1,0,1]=2 21 B10R1.30 COC1=CC(=O)OC[C@@H]1O CNP0353859.2 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.30 COC1=CC(=O)OC[C@H]1O CNP0353859.1 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.30 COC1=NC(=CN=C1C)C CNP0001523.0 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.30 CSC1=NC(=CN=C1C)C CNP0353191.0 [0,0,0,0,0,0|3,1,0]=4 25 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.30 O=C1C=C(C(=CO1)O)CO CNP0349514.0 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.2 CC1=CC=NC(=C1)C#N CNP0068473.0 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,0,0,0,0,0|0,0,0]=1 48 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,0,0,0,0,0|1,0,0]=2 49 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.2 COC1=NC=CC(=N1)N CNP0207965.0 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [1,0,0,0,0,0|2,1,0]=4 54 B9R1.2 C[N+]1=CC=CC(=C1)C#N CNP0552740.0 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,0,0,0,0,0|1,1,0]=3 74 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,0,0,0,0,0|1,0,0]=2 78 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,0,0,0,0,0|1,0,0]=2 79 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,0,0,0,0,0|0,0,0]=1 80 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [1,0,0,0,0,0|0,0,2]=3 81 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [1,0,0,0,0,0|1,0,0]=2 82 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [1,0,0,0,0,0|1,0,1]=3 83 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [1,0,0,0,0,0|1,0,1]=3 84 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,0,0,0,0,0|1,0,0]=2 85 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,0,0,0,0,0|0,1,0]=2 87 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [1,0,0,0,0,0|2,0,0]=3 106 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [1,0,0,0,0,0|1,0,0]=2 107 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [1,0,0,0,0,0|1,0,1]=3 108 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [1,0,0,0,0,0|1,0,1]=3 109 B9R1.69 CC1=CC(C=CC1O)O CNP0455439.0 [1,0,0,0,0,0|1,0,2]=4 110 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [1,0,0,0,0,0|1,0,0]=2 113 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [1,0,0,0,0,0|1,0,0]=2 114 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [1,0,0,0,0,0|1,0,0]=2 115 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [1,0,0,0,0,0|1,0,0]=2 116 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [1,0,0,0,0,0|0,0,0]=1 117 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [1,0,0,0,0,0|2,0,0]=3 118 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [1,0,0,0,0,0|2,0,0]=3 120 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [1,0,0,0,0,0|1,0,0]=2 121 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [1,0,0,0,0,0|2,0,0]=3 124 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [1,0,0,0,0,0|1,0,0]=2 126 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [1,0,0,0,0,0|1,1,0]=3 127 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [1,0,0,0,0,0|1,0,0]=2 128 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [1,0,0,0,0,0|0,0,0]=1 129 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.69 CC1=CNC(=O)C=C1O CNP0017901.0 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.69 C[N+]1=CC(=CC=C1N)I CNP0606794.0 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.69 ClC1=CC=C(C(=C1)Cl)Cl CNP0206286.0 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [1,0,0,0,0,0|1,0,1]=3 147 B9R1.69 NC1=CC(=CC=C1Cl)Cl CNP0040093.0 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.69 NC1=CC(=CC=C1S)Cl CNP0458275.0 [1,0,0,0,0,0|2,1,0]=4 150 B9R1.69 NC1=CC=C(C(=C1)N)N CNP0131312.0 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.69 NC1=CC=C(C=C1Br)Br CNP0063783.0 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.69 NC1=CC=C(C=C1Cl)Cl CNP0048955.0 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.69 O=C1C=C(C(=CN1)Cl)O CNP0569686.0 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [1,0,0,0,0,0|1,0,1]=3 156 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [1,0,0,0,0,0|1,0,0]=2 161 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.69 OC1=NC=C(C(=N1)O)O CNP0090439.0 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.69 OC1C=CC(=CC1O)Br CNP0083764.0 [1,0,0,0,0,0|1,0,2]=4 165 B9R1.69 OC1C=CC(=CC1O)Cl CNP0158763.0 [1,0,0,0,0,0|1,0,2]=4 166 B11R1.8 COC1=C(C(=O)OC(=C1)C)C CNP0157461.0 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.8 COC1=CC(=CC(=C1C)O)C CNP0174177.0 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.8 COC1=CC(=CC(=C1C)O)O CNP0262935.0 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.8 COC1=CC(=CC(=C1O)Br)Br CNP0067769.0 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.8 COC1=CC(=CC(=C1O)C)O CNP0140056.0 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.8 COC1=CC(=CC(=C1O)O)C CNP0147274.0 [0,1,0,0,0,0|0,0,0]=1 172 B11R1.8 COC1=CC(=CC(=C1O)O)O CNP0350475.0 [0,1,0,0,0,0|1,0,0]=2 173 B11R1.8 COC1=CC(=O)C=C(C1=O)C CNP0357550.0 [0,1,0,0,0,0|1,0,1]=3 174 B11R1.8 N#CC1=CC(=CC(=C1O)Br)Br CNP0275601.0 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.8 O=CC1=CC(=CC(=C1O)Br)Br CNP0248962.0 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.8 OCC1=CC(=CC(=C1O)Br)O CNP0073176.0 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.8 OCC1=CC(=CC(=C1O)Cl)O CNP0321775.0 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.8 OCC1=CC(=CC(=C1O)O)O CNP0551970.0 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.37 C=CC1=CC=C(C=C1OC)O CNP0611852.0 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.37 CCC1=CC=C(C=C1CC)C CNP0183897.0 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.37 CCC1=CC=C(C=C1CC)O CNP0155765.0 [0,1,0,0,0,0|3,0,0]=4 182 B11R1.37 CCC1=CC=C(C=C1CO)C CNP0299444.0 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.37 COC1=C(CN(C=C1)C)OC CNP0265801.0 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.37 COC1=CC(=CC=C1C=O)O CNP0328475.0 [0,1,0,0,0,0|1,0,1]=3 185 B11R1.37 COC1=CC(=O)C=CC1=[N+]=[N-] CNP0510276.0 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.37 COC1=CC=C(C=C1C=O)O CNP0214934.0 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.37 COC1=CC=C(C=C1OC)C CNP0142648.0 [0,1,0,0,0,0|0,0,0]=1 188 B11R1.37 COC1=CC=C(C=C1OC)I CNP0034495.0 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.37 COC1=CC=C(C=C1OC)O CNP0220201.0 [0,1,0,0,0,0|1,0,0]=2 190 B11R1.37 COC1=CCN(C=C1OC)C CNP0568941.0 [0,1,0,0,0,0|1,0,1]=3 191 B11R1.72 C=CC1=C(C=CC(=C1C)O)O CNP0119904.0 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.72 CC1=CC=C(C(=C1C)C=O)C CNP0300217.0 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.72 CCC1=C(C(=O)C=CC1=O)C CNP0115905.0 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.72 CCC1=C(C=CC(=C1C)O)O CNP0216521.0 [0,1,0,0,0,0|2,0,0]=3 195 B11R1.72 CN1C=CC(=C(C1=O)C#N)O CNP0365874.0 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.72 COC1=C(C(=O)C=CC1=O)C CNP0331227.0 [0,1,0,0,0,0|1,0,1]=3 197 B11R1.72 COC1=C(C=CC(=C1C)C)C CNP0076001.0 [0,1,0,0,0,0|1,0,0]=2 198 B11R1.72 COC1=C(C=CC(=C1C)O)O CNP0104161.0 [0,1,0,0,0,0|1,0,0]=2 199 B11R1.72 O=CC1=C(C=CC(=C1O)O)O CNP0278067.0 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.167 CC(=O)C1=CC(=CC=C1N)O CNP0207419.0 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.167 CC(=O)C1=CC(=CC=C1O)C CNP0189333.0 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.167 CC(=O)C1=CC(=CC=C1O)O CNP0226762.0 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.167 CC1=CC=C(C(=C1)C(=O)N)C CNP0373420.0 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.167 CC1=CC=C(C(=C1)C(C)C)C CNP0319974.0 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.167 CC1=CC=C(C(=C1)C(C)C)O CNP0297378.0 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])C CNP0535896.0 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])N CNP0566135.0 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.167 CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0600136.0 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)O CNP0079833.0 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)Cl CNP0485748.0 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.167 O=[N+]([O-])C1=CC(=CC=C1O)O CNP0527393.0 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.167 OC1=CC=C(C(=C1)C(O)Cl)O CNP0519910.0 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.182 C=CCC1=CC(=CC=C1O)C CNP0574196.0 [0,1,0,0,0,0|1,0,1]=3 216 B11R1.182 CCCC1=CC(=CC=C1C)C CNP0284162.0 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.182 CCCC1=CC(=O)C=CC1=O CNP0227837.0 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.182 CCOC1=CC(=CC=C1C)C CNP0288250.0 [0,1,0,0,0,0|1,0,0]=2 219 B11R1.182 CCOC1=CC(=O)C=CC1=O CNP0125200.0 [0,1,0,0,0,0|1,0,1]=3 220 B11R1.182 COCC1=CC(=CC=C1O)O CNP0113294.0 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.277 CC1=CC(=C(C=C1C)C=O)C CNP0085942.0 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.277 CC1=CC(=C(C=C1C)CO)C CNP0612014.0 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.277 CC1=CC(=C(C=C1O)C)N=O CNP0314907.0 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.277 CC1=CC(=NO)C(=CC1=O)C CNP0294852.0 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.277 CCC1=CC(=C(C=C1C)C)C CNP0561211.0 [0,1,0,0,0,0|2,0,0]=3 226 B11R1.277 CCC1=CC(=C(C=C1O)C)C CNP0088843.0 [0,1,0,0,0,0|1,0,0]=2 227 B11R1.277 CCC1=CC(=O)C(=CC1=O)C CNP0227006.0 [0,1,0,0,0,0|2,0,1]=4 228 B11R1.277 COC1=CC(=C(C=C1C)Br)C CNP0408849.0 [0,1,0,0,0,0|1,0,0]=2 229 B11R1.277 COC1=CC(=C(C=C1C)C)C CNP0537102.0 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.277 COC1=CC(=C(C=C1O)C)O CNP0167756.0 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.277 COC1=CC(=O)C(=CC1=O)C CNP0269462.0 [0,1,0,0,0,0|1,0,1]=3 232 B11R1.277 O=CC1=CC(=C(C=C1O)O)O CNP0294137.0 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.277 OCC1=CC(=C(C=C1O)Cl)O CNP0329388.0 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.280 C=CC1=CC=C(C(=C1)OC)O CNP0357819.0 [0,1,0,0,0,0|0,0,1]=2 235 B11R1.280 CCC1=CC(=NO)C=CC1=O CNP0188606.0 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.280 CCC1=CC=C(C(=C1)CC)C CNP0134602.0 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.280 CCC1=CC=C(C(=C1)OC)C CNP0257657.0 [0,1,0,0,0,0|1,0,0]=2 238 B11R1.280 CCC1=CC=C(C(=C1)OC)O CNP0401902.0 [0,1,0,0,0,0|0,0,0]=1 239 B11R1.280 COC1=CC(=CC=C1Cl)C=O CNP0146169.0 [0,1,0,0,0,0|1,0,1]=3 240 B11R1.280 COC1=CC(=CC=C1O)C#N CNP0252520.0 [0,1,0,0,0,0|0,0,1]=2 241 B11R1.280 COC1=CC(=CC=C1O)C=O CNP0270199.0 [0,1,0,0,0,0|0,0,1]=2 242 B11R1.280 COC1=CC(=CC=C1O)CN CNP0052909.0 [0,1,0,0,0,0|0,0,0]=1 243 B11R1.280 COC1=CC(=CC=C1O)CO CNP0268270.0 [0,1,0,0,0,0|0,0,0]=1 244 B11R1.280 COC1=CC(=CC=C1O)OO CNP0508207.0 [0,1,0,0,0,0|1,0,0]=2 245 B11R1.280 COC1=CC=C(C(=C1)C=O)O CNP0269274.0 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.280 COC1=CC=C(C(=C1)OC)Br CNP0018842.0 [0,1,0,0,0,0|1,0,0]=2 247 B11R1.280 COC1=CC=C(C(=C1)OC)O CNP0124974.0 [0,1,0,0,0,0|0,0,0]=1 248 B11R1.280 COC1=CC=C(C(=N1)OC)N CNP0606366.0 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.280 O=C1C=CC(=CC1=NO)CO CNP0510804.0 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.280 O=CC1=CC=C(C(=C1)C=O)O CNP0277701.0 [0,1,0,0,0,0|2,0,1]=4 251 B11R1.280 O=CC1=CC=C(C(=C1)N=O)O CNP0283266.0 [0,1,0,0,0,0|2,0,1]=4 252 B11R1.280 OCC1=CC(=NO)C(C=C1)O CNP0608822.0 [0,1,0,0,0,0|2,0,1]=4 253 B9R0.8 CC=CC=C(C)C(=CC)C CNP0284746.0 [0,0,1,0,0,0|2,0,1]=4 254 B9R0.39 COC(=CC(=O)O)C(=O)O CNP0187597.0 [0,0,1,0,0,0|3,0,0]=4 255 B9R0.48 CC=CC(=CC=C(C)C)C CNP0423070.0 [0,0,1,0,0,0|2,0,1]=4 256 B11R2.36 CC1=CC2=C(C=N1)N=NO2 CNP0000867.0 [0,0,0,1,0,0|3,0,0]=4 257 B11R2.36 CC1=CC2=C(C=N1)ON=N2 CNP0370559.0 [0,0,0,1,0,0|3,0,0]=4 258 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [0,0,0,1,0,0|2,0,1]=4 259 B11R2.36 CC1=CC=C2CCCC2=C1 CNP0170611.0 [0,0,0,1,0,0|2,0,0]=3 260 B11R2.36 CC1=CC=C2CCCC2=N1 CNP0269261.0 [0,0,0,1,0,0|3,0,0]=4 261 B11R2.36 CC1=CC=C2N=CNC2=C1 CNP0512184.0 [0,0,0,1,0,0|2,0,1]=4 262 B11R2.36 CC1=CC=C2N=NOC2=N1 CNP0152363.0 [0,0,0,1,0,0|3,0,0]=4 263 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [0,0,0,1,0,0|2,0,1]=4 264 B11R2.36 CC1=CC=C2ON=NC2=N1 CNP0000850.0 [0,0,0,1,0,0|3,0,0]=4 265 B11R2.36 CC1=CN=C2N=NOC2=C1 CNP0000928.0 [0,0,0,1,0,0|3,0,0]=4 266 B11R2.36 CC1=CN=C2ON=NC2=C1 CNP0000926.0 [0,0,0,1,0,0|3,0,0]=4 267 B11R2.36 N=C1C=CC2=NNOC2=C1 CNP0000847.0 [0,0,0,1,0,0|3,0,0]=4 268 B11R2.36 NC1=CC=C2N=NOC2=C1 CNP0114153.0 [0,0,0,1,0,0|3,0,0]=4 269 B11R2.36 NC1=CC=C2ON=NC2=C1 CNP0001261.0 [0,0,0,1,0,0|3,0,0]=4 270 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [0,0,0,1,0,0|2,0,1]=4 271 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [0,0,0,1,0,0|3,0,0]=4 272 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [0,0,0,1,0,0|3,0,0]=4 273 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [0,0,0,1,0,0|2,0,1]=4 274 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [0,0,0,1,0,0|2,0,0]=3 275 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [0,0,0,1,0,0|1,0,0]=2 276 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,0,0,1,0,0|3,0,0]=4 277 B9R1.22 COC1=CC(=O)O[C@H]1O CNP0399896.1 [0,0,0,0,1,0|2,0,1]=4 278 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [0,0,0,0,1,0|2,1,0]=4 279 B9R1.27 CCC1=C(SC=C1C)C CNP0290870.0 [0,0,0,0,1,0|3,0,0]=4 280 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [0,0,0,0,1,0|0,0,3]=4 281 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [1,0,1,0,0,0|1,0,0]=3 282 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [1,0,1,0,0,0|2,0,0]=4 283 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [1,0,1,0,0,0|0,0,2]=4 284 B8R0.19 CC=C(C)C=C(C)CO CNP0307713.0 [1,0,1,0,0,0|0,0,2]=4 285 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [1,0,1,0,0,0|1,0,1]=4 286 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,0,1,0,0,0|2,0,0]=4 287 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [2,0,0,0,0,0|1,0,1]=4 288 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [2,0,0,0,0,0|1,0,1]=4 289 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [2,0,0,0,0,0|1,0,0]=3 290 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [2,0,0,0,0,0|2,0,0]=4 293 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [2,0,0,0,0,0|1,0,0]=3 294 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [2,0,0,0,0,0|0,0,0]=2 295 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [2,0,0,0,0,0|1,0,0]=3 296 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [2,0,0,0,0,0|1,0,0]=3 297 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [2,0,0,0,0,0|0,0,1]=3 298 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [2,0,0,0,0,0|0,1,0]=3 300 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [2,0,0,0,0,0|1,0,0]=3 305 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [2,0,0,0,0,0|1,0,1]=4 312 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [2,0,0,0,0,0|1,0,0]=3 313 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [2,0,0,0,0,0|1,0,1]=4 314 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [2,0,0,0,0,0|1,0,1]=4 315 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [2,0,0,0,0,0|1,0,0]=3 316 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [2,0,0,0,0,0|0,0,0]=2 317 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [2,0,0,0,0,0|1,0,0]=3 318 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [2,0,0,0,0,0|1,0,0]=3 319 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [2,0,0,0,0,0|0,0,0]=2 320 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [2,0,0,0,0,0|1,0,0]=3 322 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [2,0,0,0,0,0|1,0,1]=4 324 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [2,0,0,0,0,0|1,0,0]=3 325 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [2,0,0,0,0,0|0,0,2]=4 328 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [2,0,0,0,0,0|1,0,0]=3 329 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [2,0,0,0,0,0|1,0,0]=3 330 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [2,0,0,0,0,0|1,0,0]=3 335 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [2,0,0,0,0,0|1,0,0]=3 336 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [2,0,0,0,0,0|1,0,0]=3 337 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [2,0,0,0,0,0|1,0,1]=4 338 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [2,0,0,0,0,0|1,0,1]=4 339 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [2,0,0,0,0,0|1,0,0]=3 340 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [2,0,0,0,0,0|1,0,0]=3 341 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [2,0,0,0,0,0|1,0,0]=3 342 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [2,0,0,0,0,0|1,0,0]=3 343 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [2,0,0,0,0,0|0,0,0]=2 344 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [2,0,0,0,0,0|0,1,0]=3 345 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [2,0,0,0,0,0|1,0,1]=4 347 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [2,0,0,0,0,0|1,0,0]=3 353 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [2,0,0,0,0,0|2,0,0]=4 354 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [2,0,0,0,0,0|2,0,0]=4 355 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [2,0,0,0,0,0|1,0,0]=3 357 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [2,0,0,0,0,0|1,1,0]=4 358 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [2,0,0,0,0,0|0,0,2]=4 359 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [2,0,0,0,0,0|0,0,2]=4 360 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [2,0,0,0,0,0|1,0,1]=4 361 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [2,0,0,0,0,0|1,0,1]=4 362 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [2,0,0,0,0,0|1,0,1]=4 363 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [2,0,0,0,0,0|1,0,1]=4 364 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [2,0,0,0,0,0|1,0,0]=3 365 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [2,0,0,0,0,0|1,0,0]=3 366 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [2,0,0,0,0,0|0,0,0]=2 367 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [2,0,0,0,0,0|1,0,0]=3 369 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [2,0,0,0,0,0|1,0,0]=3 370 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [2,0,0,0,0,0|1,1,0]=4 371 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [2,0,0,0,0,0|0,0,0]=2 372 B8R1.5 O[C@@H]1C=CC=C[C@@H]1O CNP0314922.2 [2,0,0,0,0,0|0,0,2]=4 373 B8R1.5 O[C@@H]1C=CC=C[C@H]1O CNP0314922.1 [2,0,0,0,0,0|0,0,2]=4 374 B8R1.5 O[C@H]1C=CC=C[C@@H]1O CNP0314922.3 [2,0,0,0,0,0|0,0,2]=4 375 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [2,0,0,0,0,0|1,0,0]=3 376 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [2,0,0,0,0,0|2,0,0]=4 377 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [2,0,0,0,0,0|0,0,2]=4 378 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [2,0,0,0,0,0|1,0,0]=3 379 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [2,0,0,0,0,0|1,0,0]=3 380 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [2,0,0,0,0,0|1,0,0]=3 381 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [2,0,0,0,0,0|1,0,0]=3 382 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [2,0,0,0,0,0|0,0,0]=2 383 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [2,0,0,0,0,0|0,1,0]=3 384 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [2,0,0,0,0,0|2,0,0]=4 385 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [2,0,0,0,0,0|1,0,0]=3 386 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [2,0,0,0,0,0|2,0,0]=4 387 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [2,0,0,0,0,0|2,0,0]=4 388 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [2,0,0,0,0,0|1,0,0]=3 389 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [2,0,0,0,0,0|2,0,0]=4 390 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [2,0,0,0,0,0|1,0,1]=4 391 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [2,0,0,0,0,0|2,0,0]=4 392 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [2,0,0,0,0,0|2,0,0]=4 393 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [2,0,0,0,0,0|2,0,0]=4 394 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [2,0,0,0,0,0|2,0,0]=4 395 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [2,0,0,0,0,0|2,0,0]=4 396 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [2,0,0,0,0,0|1,0,0]=3 397 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [2,0,0,0,0,0|2,0,0]=4 398 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [2,0,0,0,0,0|1,0,1]=4 399 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [2,0,0,0,0,0|1,0,0]=3 400 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [2,0,0,0,0,0|1,0,0]=3 401 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [2,0,0,0,0,0|1,0,0]=3 402 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [2,0,0,0,0,0|1,0,0]=3 403 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [2,0,0,0,0,0|1,0,0]=3 404 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [2,0,0,0,0,0|2,0,0]=4 405 B10R0.83 COC(=O)C(=CC=CC=O)O CNP0452921.0 [0,1,1,0,0,0|1,0,1]=4 406 B10R1.2 CC1=CC=CC(=C1C)C#N CNP0139053.0 [1,1,0,0,0,0|2,0,0]=4 407 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [1,1,0,0,0,0|0,0,0]=2 412 B10R1.2 COC1=CC=CC(=C1N)C CNP0448107.0 [1,1,0,0,0,0|0,0,0]=2 413 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.2 COC1=CC=CC(=O)C1=O CNP0358042.0 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.2 COC1=COC=C(C1=O)O CNP0275843.0 [1,1,0,0,0,0|2,0,0]=4 417 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.8 C#CC1=CC(=CC(=C1)C)C CNP0069485.0 [1,1,0,0,0,0|1,0,1]=4 419 B10R1.8 C=CC1=CC(=CC(=C1)C)C CNP0039391.0 [1,1,0,0,0,0|1,0,1]=4 420 B10R1.8 CC1=CC(=CC(=C1)C#N)C CNP0079258.0 [1,1,0,0,0,0|2,0,0]=4 421 B10R1.8 CC1=CC(=CC(=C1)C=O)C CNP0196447.0 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.8 CC1=CC(=CC(=C1)C=O)O CNP0067641.0 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.8 CC1=CC(=CC(=C1)CO)C CNP0300262.0 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.8 CC1=CC(=CC(=C1)NN)C CNP0042212.0 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.8 CCC1=CC(=CC(=C1)C)C CNP0504620.0 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.8 CCC1=CC(=CC(=C1)O)C CNP0307978.0 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.8 CCC1=CC(=CC(=N1)C)C CNP0160210.0 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.8 CCC1=CC(=NC(=C1)C)C CNP0234681.0 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.8 COC1=CC(=CC(=C1)C)C CNP0153704.0 [1,1,0,0,0,0|0,0,0]=2 430 B10R1.8 COC1=CC(=CC(=C1)Cl)Cl CNP0017966.0 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.8 COC1=CC(=CC(=C1)O)C CNP0325489.0 [1,1,0,0,0,0|0,0,0]=2 432 B10R1.8 COC1=CC(=CC(=C1)O)O CNP0081787.0 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.8 COC1=CC(=O)OC(=C1)C CNP0494967.0 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.10 CC1=CC=CC(=C1)CC#N CNP0583461.0 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.10 CC1=CC=CC(=C1)N=C=O CNP0086215.0 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [1,1,0,0,0,0|1,0,0]=3 440 B10R1.10 CCOC1=CN=CC(=N1)C CNP0002519.0 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.113 C=C(C)C1=CC=NC(=C1)C CNP0589096.0 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [1,1,0,0,0,0|2,0,0]=4 446 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [1,1,0,0,0,0|2,0,0]=4 448 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [1,1,0,0,0,0|2,0,0]=4 451 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [1,1,0,0,0,0|2,0,0]=4 452 B10R1.113 CC1=CC(=CC=N1)C(C)C CNP0586055.0 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.113 CC1=CC(=CC=N1)N(C)C CNP0436330.0 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [1,1,0,0,0,0|1,0,0]=3 460 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.172 CCC1=CC=CC(=C1)C#N CNP0142603.0 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.172 CCC1=CC=CC(=C1)CC CNP0328428.0 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.172 CCC1=CC=CC(=C1)CO CNP0495646.0 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.172 COC1=CC=CC(=C1)C#N CNP0199473.0 [1,1,0,0,0,0|0,0,1]=3 468 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [1,1,0,0,0,0|0,0,1]=3 469 B10R1.172 COC1=CC=CC(=C1)CO CNP0345399.0 [1,1,0,0,0,0|0,0,0]=2 470 B10R1.172 COC1=CC=CC(=C1)OC CNP0283758.0 [1,1,0,0,0,0|0,0,0]=2 471 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [1,1,0,0,0,0|2,0,0]=4 476 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [1,1,0,0,0,0|2,0,0]=4 477 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [1,1,0,0,0,0|1,0,0]=3 479 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [1,1,0,0,0,0|2,0,0]=4 480 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [1,1,0,0,0,0|2,0,0]=4 481 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [1,1,0,0,0,0|0,0,0]=2 483 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [1,1,0,0,0,0|0,0,0]=2 484 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [1,1,0,0,0,0|0,0,0]=2 485 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [1,1,0,0,0,0|1,0,0]=3 486 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [1,1,0,0,0,0|1,0,0]=3 488 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [1,1,0,0,0,0|1,0,1]=4 490 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [1,1,0,0,0,0|2,0,0]=4 492 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [1,1,0,0,0,0|1,0,0]=3 495 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [1,1,0,0,0,0|2,0,0]=4 500 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [1,1,0,0,0,0|1,0,0]=3 501 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [1,1,0,0,0,0|1,0,0]=3 505 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [1,1,0,0,0,0|1,0,0]=3 507 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [1,1,0,0,0,0|0,0,1]=3 508 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [1,1,0,0,0,0|1,0,0]=3 509 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [1,1,0,0,0,0|0,0,0]=2 511 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [1,1,0,0,0,0|0,0,0]=2 512 B10R1.20 COC1=CC=NC=C1C#N CNP0112876.0 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [1,1,0,0,0,0|1,0,0]=3 517 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [1,1,0,0,0,0|1,0,0]=3 521 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [1,1,0,0,0,0|1,0,0]=3 523 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [1,1,0,0,0,0|1,0,0]=3 524 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [1,1,0,0,0,0|0,0,0]=2 525 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [1,1,0,0,0,0|0,0,0]=2 526 B10R1.25 COC1=CC=[N+](C=C1C)[O-] CNP0606691.0 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [1,1,0,0,0,0|2,0,0]=4 531 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [1,1,0,0,0,0|1,0,0]=3 534 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [1,1,0,0,0,0|1,1,0]=4 535 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [1,1,0,0,0,0|1,0,0]=3 537 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [1,1,0,0,0,0|2,0,0]=4 541 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.245 CNC1=C(C=CC=C1C)C CNP0282095.0 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.245 COC1=C(C=CC=C1Br)Br CNP0017925.0 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.245 COC1=C(C=CC=C1Cl)Cl CNP0143389.0 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.245 COC1=C(C=CC=C1O)O CNP0193285.0 [1,1,0,0,0,0|0,0,0]=2 552 B10R1.245 COC1=C(NC=CC1=O)C CNP0226695.0 [1,1,0,0,0,0|1,0,1]=4 553 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.22 CC1=C(C=C(C=C1O)O)O CNP0270802.0 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Cl CNP0179139.0 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.22 CC1=CC(=C(C(=C1)Br)N)Cl CNP0063027.0 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.22 CC1=CC(=C(C(=C1)Br)N)N CNP0039347.0 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.22 CC1=CC(=C(C(=C1)Br)O)Br CNP0242146.0 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CNP0375454.0 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.22 CC1=CC(=C(C(=C1)C)N)C CNP0072418.0 [1,1,0,0,0,0|1,0,0]=3 561 B10R1.22 CC1=CC(=C(C(=C1)C)O)C CNP0321032.0 [1,1,0,0,0,0|0,0,0]=2 562 B10R1.22 CC1=CC(=C(C(=C1)Cl)Br)Cl CNP0296853.0 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.22 CC1=CC(=C(C(=C1)Cl)N)N CNP0097451.0 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.22 CC1=CC(=C(C(=C1)N)C)C CNP0027884.0 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.22 CC1=CC(=C(C(=C1)O)C)C CNP0281157.0 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.22 CC1=CC(=C(C(=C1)O)C)O CNP0156178.0 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.22 CC1=CC(=C(C(=C1)O)Cl)O CNP0171455.0 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.22 CC1=CC(=C(C(=C1)O)O)C CNP0386654.0 [1,1,0,0,0,0|0,0,0]=2 569 B10R1.22 CC1=CC(=C(C(=C1)O)O)O CNP0266425.0 [1,1,0,0,0,0|0,0,0]=2 570 B10R1.22 CC1=CC(=C(C(=N1)C)C)C CNP0182494.0 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.22 CC1=CC(=C(C(=O)O1)C)O CNP0371588.0 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.22 CC1=CC(=CC(=C1C)C)N CNP0214882.0 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.22 CC1=CC(=CC(=C1C)C)O CNP0208232.0 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.22 CC1=CC(=CC(=C1C)O)O CNP0138651.0 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.22 CC1=CC(=CC(=C1Cl)C)O CNP0229378.0 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.22 CC1=CC(=CC(=C1Cl)O)O CNP0283107.0 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.22 CC1=CC(=CC(=C1N)C)I CNP0086270.0 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.22 CC1=CC(=CC(=C1O)C)O CNP0107250.0 [1,1,0,0,0,0|1,0,0]=3 579 B10R1.22 CC1=CC(=CC(=C1O)O)O CNP0249116.0 [1,1,0,0,0,0|1,0,0]=3 580 B10R1.22 CC1=CC(=O)C=C(C1=O)C CNP0081563.0 [1,1,0,0,0,0|1,0,1]=4 581 B10R1.22 CC1=CC(=O)C=C(C1=O)O CNP0106705.0 [1,1,0,0,0,0|1,0,1]=4 582 B10R1.22 CC1=CC(=[N+](C(=C1)C)[O-])C CNP0516353.0 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.22 NC1=CC(=C(C(=C1)O)O)N CNP0223457.0 [1,1,0,0,0,0|1,0,0]=3 584 B10R1.22 NC1=CC(=O)C=C(C1=O)O CNP0072657.0 [1,1,0,0,0,0|1,0,1]=4 585 B10R1.22 O=C1C=C(C(=O)C(=C1)O)O CNP0322998.0 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.22 OC1=C(C=C(C=C1Br)Br)Br CNP0415243.0 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.22 OC1=C(C=C(C=C1Br)Br)Cl CNP0017890.0 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Br CNP0371629.0 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Cl CNP0322036.0 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.22 OC1=C(C=C(C=C1Cl)I)Cl CNP0173173.0 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.22 OC1=CC(=C(C(=C1)Br)Br)O CNP0224842.0 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.22 OC1=CC(=C(C(=C1)Br)O)Br CNP0113606.0 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.22 OC1=CC(=C(C(=C1)Cl)O)Cl CNP0083796.0 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.22 OC1=CC(=C(C(=C1)I)O)I CNP0313558.0 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.22 OC1=CC(=C(C(=C1)O)Br)O CNP0173865.0 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.22 OC1=CC(=C(C(=C1)O)Cl)O CNP0254438.0 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.22 OC1=CC(=C(C(=C1)O)I)O CNP0053849.0 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.22 OC1=CC(=C(C(=C1)O)O)O CNP0134222.0 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.22 OC1=CC(=CC(=C1O)Br)Br CNP0081702.0 [1,1,0,0,0,0|1,0,0]=3 600 B10R1.22 OC1=CC(=CC(=C1O)Cl)Cl CNP0598413.0 [1,1,0,0,0,0|1,0,0]=3 601 B10R1.118 CC1=C(C=C(C(=C1)C)C)C CNP0218764.0 [1,1,0,0,0,0|1,0,0]=3 602 B10R1.118 CC1=CC(=C(C=C1Br)C)Br CNP0024349.0 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.118 CC1=CC(=C(C=C1C)N)N CNP0106845.0 [1,1,0,0,0,0|2,0,0]=4 604 B10R1.118 CC1=CC(=C(C=C1C)O)C CNP0242109.0 [1,1,0,0,0,0|0,0,0]=2 605 B10R1.118 CC1=CC(=C(C=C1Cl)C)Cl CNP0062326.0 [1,1,0,0,0,0|2,0,0]=4 606 B10R1.118 CC1=CC(=C(C=C1O)C)O CNP0533659.0 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.118 CC1=CC(=C(N=C1C)C)C CNP0272756.0 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.118 CC1=CC(=O)C(=CC1=O)C CNP0221747.0 [1,1,0,0,0,0|1,0,1]=4 609 B10R1.118 CC1=CC(=O)C(=CC1=O)O CNP0288982.0 [1,1,0,0,0,0|0,0,1]=3 610 B10R1.118 CC1=CN(C(=O)N=C1O)C CNP0516273.0 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.118 O=C1C=C(C(=O)C=C1O)O CNP0327645.0 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.118 OC1=C(C=C(C(=C1)O)O)O CNP0611719.0 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.118 OC1=CC(=C(C=C1Cl)O)Cl CNP0067457.0 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.118 OC1=CC(=C(C=C1O)Br)Br CNP0556999.0 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.119 CC1=C(C(=O)C(=CO1)C)O CNP0126465.0 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.119 CC1=C(C(=O)C(=CO1)O)O CNP0249032.0 [1,1,0,0,0,0|1,0,1]=4 617 B10R1.119 CC1=C(C(=O)C=CC1=O)C CNP0252044.0 [1,1,0,0,0,0|1,0,1]=4 618 B10R1.119 CC1=C(C(=O)C=CC1=O)O CNP0304817.0 [1,1,0,0,0,0|1,0,1]=4 619 B10R1.119 CC1=C(C(=O)C=CN1C)O CNP0409474.0 [1,1,0,0,0,0|1,0,1]=4 620 B10R1.119 CC1=C(C=CC(=C1C)O)N CNP0562106.0 [1,1,0,0,0,0|1,0,0]=3 621 B10R1.119 CC1=C(C=CC(=C1C)O)O CNP0119775.0 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.119 CC1=C(C=CC(=C1O)O)O CNP0354287.0 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.119 CC1=CC=C(C(=C1C)C)C CNP0376974.0 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.119 CC1=CC=C(C(=C1C)O)O CNP0352924.0 [1,1,0,0,0,0|0,0,0]=2 626 B10R1.119 CC1=CC=C(C(=C1Cl)C)S CNP0345116.0 [1,1,0,0,0,0|0,1,0]=3 627 B10R1.119 CC1=CC=C(C(=C1O)C)O CNP0142427.0 [1,1,0,0,0,0|0,0,0]=2 628 B10R1.119 CC1=CC=C(C(=C1O)O)C CNP0183636.0 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.119 CC1=CN=C(C(=C1C)C)C CNP0265742.0 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.119 CC1=CN=C(N(C1=O)C)O CNP0559149.0 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.119 O=C1C=CC(=O)C(=C1O)O CNP0263917.0 [1,1,0,0,0,0|1,0,1]=4 632 B10R1.119 OC1=C(C=CC(=C1O)Cl)Cl CNP0043594.0 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.119 OC1=CC=C(C(=C1Br)Br)Br CNP0133044.0 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.119 OC1=CC=C(C(=C1Br)O)Br CNP0192123.0 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.119 OC1=CC=C(C(=C1O)O)O CNP0189021.0 [1,1,0,0,0,0|1,0,0]=3 636 B12R1.704 COC1=C(C=CC=C(C1=O)C)O CNP0443458.0 [0,1,0,0,0,1|0,0,0]=2 637 B12R1.14 COC1=C(C(=O)N(C(=C1)O)C)O CNP0278685.0 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.14 COC1=CC(=C(C(=C1C)C)O)C CNP0572680.0 [0,2,0,0,0,0|1,0,0]=3 639 B12R1.14 COC1=CC(=C(C(=C1Cl)C)Cl)O CNP0130539.0 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.14 COC1=CC(=C(C(=C1Cl)O)Cl)C CNP0513062.0 [0,2,0,0,0,0|1,0,0]=3 641 B12R1.14 COC1=CC(=C(C(=C1O)Cl)Cl)Cl CNP0263801.0 [0,2,0,0,0,0|1,0,0]=3 642 B12R1.14 COC1=CC(=C(C(=C1O)O)C)O CNP0250808.0 [0,2,0,0,0,0|1,0,0]=3 643 B12R1.14 COC1=CC(=O)C(=C(C1=O)C)Cl CNP0348389.0 [0,2,0,0,0,0|1,0,1]=4 644 B12R1.14 COC1=CC(=O)C(=C(C1=O)C)O CNP0164479.0 [0,2,0,0,0,0|1,0,1]=4 645 B12R1.14 COC1=CC(=O)C(=C(C1=O)O)C CNP0188138.0 [0,2,0,0,0,0|1,0,1]=4 646 B12R1.14 COC1=CC(=O)N(C(=C1O)[O])C CNP0537826.0 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.40 CCOC1=CC(=O)C=C(C1=O)C CNP0216915.0 [0,2,0,0,0,0|1,0,1]=4 648 B12R1.40 COCC1=CC(=CC(=C1O)Cl)O CNP0216728.0 [0,2,0,0,0,0|1,0,0]=3 649 B12R1.234 COC1=CC(=CC(=C1C=O)C)O CNP0131937.0 [0,2,0,0,0,0|1,0,1]=4 650 B12R1.235 CC1=CC(=C(C(=C1)CCl)O)C=O CNP0066874.0 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.235 CC1=CC(=C(C(=C1)CO)O)C=O CNP0030692.0 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.235 CCC1=CC(=O)C=C(C1=O)OC CNP0105786.0 [0,2,0,0,0,0|1,0,1]=4 653 B12R1.235 CCC1=NC(=CC(=C1O)CBr)C CNP0116065.0 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.235 COC1=CC(=CC(=C1C)OC)C CNP0424423.0 [0,2,0,0,0,0|1,0,0]=3 655 B12R1.235 COC1=CC(=CC(=C1Cl)OC)C CNP0310875.0 [0,2,0,0,0,0|1,0,0]=3 656 B12R1.235 COC1=CC(=CC(=C1O)C=O)Br CNP0519100.0 [0,2,0,0,0,0|1,0,0]=3 657 B12R1.235 COC1=CC(=CC(=C1O)OC)C CNP0111116.0 [0,2,0,0,0,0|0,0,0]=2 658 B12R1.235 COC1=CC(=CC(=C1O)OC)O CNP0396396.0 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.235 COC1=CC(=O)C=C(C1=O)CO CNP0360843.0 [0,2,0,0,0,0|1,0,1]=4 660 B12R1.235 COC1=CC(=O)C=C(C1=O)OC CNP0209741.0 [0,2,0,0,0,0|1,0,1]=4 661 B12R1.300 CCC1=CC(=C(C(=C1)OC)O)C CNP0518382.0 [0,2,0,0,0,0|0,0,0]=2 662 B12R1.300 CCC1=CC(=C(C(=O)O1)C)OC CNP0292133.0 [0,2,0,0,0,0|2,0,0]=4 663 B12R1.300 COC1=C(C(=O)OC(=C1)CO)C CNP0354954.0 [0,2,0,0,0,0|2,0,0]=4 664 B12R1.300 COC1=CC(=C(C(=C1)OC)C)O CNP0284366.0 [0,2,0,0,0,0|1,0,0]=3 665 B12R1.300 COC1=CC(=CC(=C1O)Br)C=O CNP0317155.0 [0,2,0,0,0,0|0,0,1]=3 666 B12R1.300 COC1=CC(=CC(=C1O)I)C=O CNP0268105.0 [0,2,0,0,0,0|0,0,1]=3 667 B12R1.300 COC1=CC(=CC(=C1O)O)C=O CNP0377931.0 [0,2,0,0,0,0|0,0,1]=3 668 B12R1.300 O=CC1=CC(=CC(=C1O)O)CO CNP0095333.0 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.705 CCC1=C(C(=O)C=C(C1=O)O)O CNP0131476.0 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.705 COC1=C(C(=CC(=C1Br)C)O)O CNP0356282.0 [0,2,0,0,0,0|0,0,0]=2 671 B12R1.705 COC1=C(C(=CC(=C1C)C)C)C CNP0611967.0 [0,2,0,0,0,0|1,0,0]=3 672 B12R1.705 COC1=C(C(=CC(=C1C)O)O)C CNP0563660.0 [0,2,0,0,0,0|2,0,0]=4 673 B12R1.705 COC1=C(C(=CC(=C1Cl)C)O)O CNP0368464.0 [0,2,0,0,0,0|0,0,0]=2 674 B12R1.705 COC1=C(C(=CC(=C1Cl)O)C)O CNP0113771.0 [0,2,0,0,0,0|1,0,0]=3 675 B12R1.705 COC1=C(C(=O)C=C(C1=O)C)C CNP0209703.0 [0,2,0,0,0,0|1,0,0]=3 676 B12R1.705 COC1=C(C(=O)C=C(C1=O)C)O CNP0171369.0 [0,2,0,0,0,0|0,0,0]=2 677 B12R1.46 COC1=CC=C(C=C1C(C)C)C CNP0102635.0 [0,2,0,0,0,0|1,0,0]=3 678 B12R1.57 C=C(C)C1=CC=C(C=C1OC)C CNP0333087.0 [0,2,0,0,0,0|1,0,0]=3 679 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [0,2,0,0,0,0|0,0,1]=3 680 B12R1.57 COC1=CC(=CC=C1C(=O)C)O CNP0146399.0 [0,2,0,0,0,0|1,0,1]=4 681 B12R1.57 COC1=CC(=CC=C1C(=O)O)O CNP0174648.0 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.57 COC1=CC(=CC=C1C(C)C)C CNP0280563.0 [0,2,0,0,0,0|1,0,0]=3 683 B12R1.57 COC1=CC(=CC=C1[N+](=O)[O-])N CNP0537552.0 [0,2,0,0,0,0|1,0,1]=4 684 B12R1.78 C=CC1=CC=C(C(=C1)OC)OC CNP0198714.0 [0,2,0,0,0,0|0,0,1]=3 685 B12R1.78 C=CC1=CC=C(C=C1OC)OC CNP0270983.0 [0,2,0,0,0,0|1,0,0]=3 686 B12R1.78 CCC1=CC=C(C(=C1)CC)CC CNP0612118.0 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.78 CCC1=CC=C(C(=C1)OC)OC CNP0104859.0 [0,2,0,0,0,0|0,0,0]=2 688 B12R1.78 COC1=CC=C(C(=C1)CN)OC CNP0470145.0 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.78 COC1=CC=C(C(=C1)OC)C#N CNP0189009.0 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.78 COC1=CC=C(C(=C1)OC)C=O CNP0303686.0 [0,2,0,0,0,0|0,0,1]=3 691 B12R1.78 COC1=CC=C(C(=C1)OC)OC CNP0327068.0 [0,2,0,0,0,0|0,0,0]=2 692 B12R1.78 COC1=CC=C(C=C1OC)C=O CNP0216130.0 [0,2,0,0,0,0|0,0,1]=3 693 B12R1.78 COC1=CC=C(C=C1OC)CCl CNP0479327.0 [0,2,0,0,0,0|0,0,0]=2 694 B12R1.78 COC1=CC=C(C=C1OC)CO CNP0202849.0 [0,2,0,0,0,0|0,0,0]=2 695 B12R1.448 COC1=CC(=C(C=C1OC)Br)N CNP0287472.0 [0,2,0,0,0,0|1,0,0]=3 696 B12R1.448 COC1=CC(=C(C=C1OC)Cl)Cl CNP0045278.0 [0,2,0,0,0,0|1,0,0]=3 697 B12R1.448 COC1=CC(=C(C=C1OC)O)C CNP0611541.0 [0,2,0,0,0,0|0,0,0]=2 698 B12R1.652 CCC1=CC=C(C(=C1CC)C)C CNP0108226.0 [0,2,0,0,0,0|2,0,0]=4 699 B12R1.98 CC1=C(C=C(C(=C1C)C=O)O)O CNP0130042.0 [0,2,0,0,0,0|2,0,0]=4 700 B12R1.98 COC1=C(C(=O)C(=CC1=O)C)O CNP0304377.0 [0,2,0,0,0,0|1,0,1]=4 701 B12R1.98 COC1=C(C=C(C(=C1Cl)Cl)Cl)O CNP0329532.0 [0,2,0,0,0,0|1,0,0]=3 702 B12R1.98 COC1=C(C=C(C(=C1Cl)O)Cl)Cl CNP0234871.0 [0,2,0,0,0,0|2,0,0]=4 703 B12R1.98 COC1=C(C=C(C(=C1O)O)C)O CNP0170903.0 [0,2,0,0,0,0|1,0,0]=3 704 B12R1.497 COCC1=C(C=NC(=C1O)C)C CNP0114344.0 [0,2,0,0,0,0|2,0,0]=4 705 B12R1.654 COC1=COC(=C(C1=O)OC)C CNP0194493.0 [0,2,0,0,0,0|2,0,0]=4 706 B12R1.741 COC1=C(C(=O)C=CC1=O)OC CNP0305061.0 [0,2,0,0,0,0|1,0,1]=4 707 B12R1.741 COC1=C(C=CC(=C1C=O)O)O CNP0118964.0 [0,2,0,0,0,0|1,0,0]=3 708 B12R1.894 C=C(C)C1=C(C=CC(=C1C)O)O CNP0482771.0 [0,2,0,0,0,0|2,0,0]=4 709 B12R1.894 CC1=C(C=CC(=C1C(C)C)O)O CNP0551899.0 [0,2,0,0,0,0|2,0,0]=4 710 B12R1.894 CC1=C(C=CC(=C1C(C)O)O)O CNP0125535.0 [0,2,0,0,0,0|2,0,0]=4 711 B12R1.128 CC(C)(C)C1=CC(=CC=C1O)O CNP0392762.0 [0,2,0,0,0,0|2,0,0]=4 712 B12R1.128 CC1=CC=C(C(=N1)C(C)(C)C)O CNP0040970.0 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C CNP0579678.0 [0,2,0,0,0,0|1,0,0]=3 714 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [0,2,0,0,0,0|2,0,0]=4 715 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)C CNP0284124.0 [0,2,0,0,0,0|1,0,0]=3 716 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O CNP0243066.0 [0,2,0,0,0,0|2,0,0]=4 717 B12R1.232 CC1=CC(=C(C=C1C)C(C)C)C CNP0164128.0 [0,2,0,0,0,0|2,0,0]=4 718 B12R1.232 CC1=CC(=C(C=C1O)C(C)C)O CNP0224526.0 [0,2,0,0,0,0|2,0,0]=4 719 B12R1.354 CC(=NO)C1=CC(=CC=C1O)C CNP0288898.0 [0,2,0,0,0,0|1,0,0]=3 720 B12R1.354 CC(=NO)C1=CC(=CC=C1O)Cl CNP0051443.0 [0,2,0,0,0,0|2,0,0]=4 721 B12R1.354 CC(=NO)C1=CC(=CC=C1O)O CNP0327949.0 [0,2,0,0,0,0|2,0,0]=4 722 B12R1.354 CC1=CC=C(C(=C1)C(C)CO)O CNP0507522.0 [0,2,0,0,0,0|1,0,0]=3 723 B12R1.354 CC[C@@H](O)C1=CC(=CC=C1O)C CNP0224091.1 [0,2,0,0,0,0|1,0,0]=3 724 B12R1.354 CC[C@H](O)C1=CC(=CC=C1O)C CNP0224091.2 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.354 CN(N=O)C1=CC(=CC=C1O)O CNP0074187.0 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.354 COC(=O)C1=CC(=CC=C1N)O CNP0205300.0 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.354 COC(=O)C1=CC(=CC=C1O)O CNP0221274.0 [0,2,0,0,0,0|1,0,0]=3 728 B12R1.453 COC1=CC=C(C(=C1)C(=O)C)O CNP0250088.0 [0,2,0,0,0,0|1,0,0]=3 729 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)O CNP0195415.0 [0,2,0,0,0,0|2,0,0]=4 730 B12R1.453 O=[N+]([O-])C1=CC(=CC=C1O)CO CNP0520804.0 [0,2,0,0,0,0|2,0,0]=4 731 B12R1.127 CC(=O)CC1=CC(=CC=C1O)C CNP0405463.0 [0,2,0,0,0,0|1,0,0]=3 732 B12R1.127 CC(=O)NC1=CC(=CC=C1C)C CNP0227044.0 [0,2,0,0,0,0|2,0,0]=4 733 B12R1.127 CC(=O)NC1=CC(=CC=C1Cl)C CNP0333851.0 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.127 CC(=O)NC1=CC(=CC=C1O)O CNP0134433.0 [0,2,0,0,0,0|2,0,0]=4 735 B12R1.127 CC(=O)OC1=CC(=CC=C1C)C CNP0142228.0 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.270 C=CCC1=CC(=CC=C1O)OC CNP0489454.0 [0,2,0,0,0,0|1,0,1]=4 737 B12R1.270 CCOC1=CC(=CC=C1O)C=O CNP0155747.0 [0,2,0,0,0,0|0,0,1]=3 738 B12R1.374 C=CCOC1=CC(=CC=C1N)C CNP0059333.0 [0,2,0,0,0,0|1,0,0]=3 739 B12R1.1123 CCOC1=CC(=O)C(=CC1=O)C CNP0330602.0 [0,2,0,0,0,0|1,0,1]=4 740 B12R1.1123 NCCC1=CC(=C(C=C1O)O)O CNP0204441.0 [0,2,0,0,0,0|2,0,0]=4 741 B12R1.449 COC1=CC(=C(C=C1Br)Br)OC CNP0032286.0 [0,2,0,0,0,0|1,0,0]=3 742 B12R1.449 COC1=CC(=C(C=C1O)Br)C=O CNP0403804.0 [0,2,0,0,0,0|0,0,1]=3 743 B12R1.449 COC1=CC(=C(C=C1O)Cl)C=O CNP0154420.0 [0,2,0,0,0,0|0,0,1]=3 744 B12R1.450 COC1=CC(=C(C=C1C)C=O)C CNP0330103.0 [0,2,0,0,0,0|1,0,0]=3 745 B12R1.450 COC1=CC(=C(C=C1Cl)OC)Cl CNP0157378.0 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.450 COC1=CC(=C(C=C1O)C=O)O CNP0579091.0 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.450 COC1=CC(=C(C=C1O)OC)O CNP0571520.0 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.450 COC1=CC(=O)C(=CC1=O)OC CNP0323230.0 [0,2,0,0,0,0|1,0,1]=4 749 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)C CNP0254908.0 [0,2,0,0,0,0|1,0,0]=3 750 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)O CNP0208361.0 [0,2,0,0,0,0|0,0,0]=2 751 B12R1.56 CC(=O)C1=CC=C(C(=C1)C=O)O CNP0387842.0 [0,2,0,0,0,0|2,0,0]=4 752 B12R1.56 CCC1=CC(=CC=C1O)C(=O)O CNP0121187.0 [0,2,0,0,0,0|1,0,1]=4 753 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [0,2,0,0,0,0|1,0,0]=3 754 B12R1.56 COC1=CC(=CC=C1C)C(=O)O CNP0497367.0 [0,2,0,0,0,0|1,0,1]=4 755 B12R1.56 COC1=CC(=CC=C1C)C(C)C CNP0163527.0 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.56 COC1=CC(=CC=C1N)C(=O)O CNP0018066.0 [0,2,0,0,0,0|1,0,1]=4 757 B12R1.56 COC1=CC(=CC=C1O)C(=O)C CNP0219031.0 [0,2,0,0,0,0|0,0,0]=2 758 B12R1.56 COC1=CC(=CC=C1O)C(=O)N CNP0200127.0 [0,2,0,0,0,0|0,0,1]=3 759 B12R1.56 COC1=CC(=CC=C1O)C(=O)O CNP0122021.0 [0,2,0,0,0,0|0,0,1]=3 760 B12R1.56 COC1=CC(=CC=C1O)C(=O)[O-] CNP0564199.0 [0,2,0,0,0,0|0,0,1]=3 761 B12R1.56 COC1=CC(=CC=C1O)C(C)O CNP0582143.0 [0,2,0,0,0,0|0,0,0]=2 762 B12R1.56 COC1=CC(=CC=C1[O-])C(=O)O CNP0511962.0 [0,2,0,0,0,0|0,0,2]=4 763 B12R1.286 C=CCC1=CC(C(=O)C=C1)OC CNP0552207.0 [0,2,0,0,0,0|0,0,2]=4 764 B12R1.286 C=CCC1=CC=C(C(=C1)OC)O CNP0134292.0 [0,2,0,0,0,0|0,0,0]=2 765 B12R1.286 CC#CC1=CC=C(C(=C1)OC)O CNP0612156.0 [0,2,0,0,0,0|0,0,0]=2 766 B12R1.286 CC=CC1=CC=C(C(=C1)OC)O CNP0315621.0 [0,2,0,0,0,0|0,0,0]=2 767 B12R1.286 CCC1=CC(=CC=C1O)CCN CNP0541887.0 [0,2,0,0,0,0|1,0,0]=3 768 B12R1.286 CCC1=CC(=CC=C1O)NC=O CNP0272770.0 [0,2,0,0,0,0|1,0,1]=4 769 B12R1.286 CCCC1=CC=C(C(=C1)OC)O CNP0321309.0 [0,2,0,0,0,0|0,0,0]=2 770 B12R1.286 COC1=CC(=CC=C1O)C=CO CNP0237756.0 [0,2,0,0,0,0|0,0,1]=3 771 B12R1.286 COC1=CC(=CC=C1O)C=NO CNP0416336.0 [0,2,0,0,0,0|0,0,1]=3 772 B12R1.286 COC1=CC(=CC=C1O)CC=O CNP0262632.0 [0,2,0,0,0,0|0,0,0]=2 773 B12R1.286 COC1=CC(=CC=C1O)CCN CNP0308219.0 [0,2,0,0,0,0|0,0,0]=2 774 B12R1.286 COC1=CC(=CC=C1O)CCO CNP0423217.0 [0,2,0,0,0,0|0,0,0]=2 775 B12R1.286 COCC1=CC=C(C(=C1)OC)O CNP0276003.0 [0,2,0,0,0,0|0,0,0]=2 776 B10R1.19 COC1=CC=CC=CC1=O CNP0338475.0 [0,0,1,1,0,0|0,0,2]=4 777 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [0,0,1,1,0,0|2,0,0]=4 778 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [1,0,0,1,0,0|1,0,0]=3 779 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [1,0,0,1,0,0|2,0,0]=4 780 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [1,0,0,1,0,0|2,0,0]=4 781 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [1,0,0,1,0,0|1,0,1]=4 782 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [1,0,0,1,0,0|1,0,1]=4 783 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [1,0,0,1,0,0|1,0,0]=3 784 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [1,0,0,1,0,0|0,0,0]=2 785 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [1,0,0,1,0,0|0,2,0]=4 786 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [1,0,0,1,0,0|2,0,0]=4 787 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [1,0,0,1,0,0|2,0,0]=4 788 B12R2.246 CC1=CC(=C2CCCC2=C1)C CNP0332105.0 [0,1,0,1,0,0|2,0,0]=4 789 B12R2.246 CC1=CC(=C2CCCC2=C1)O CNP0201391.0 [0,1,0,1,0,0|2,0,0]=4 790 B12R2.246 CC1=CC(=C2OC=CC2=C1)C CNP0283975.0 [0,1,0,1,0,0|1,0,1]=4 791 B12R2.782 CC1=CC(=C2CCC2=C1C)C CNP0055253.0 [0,1,0,1,0,0|2,0,0]=4 792 B12R2.24 CC1=CC=C2CCCCC2=C1 CNP0289026.0 [0,1,0,1,0,0|2,0,0]=4 793 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [0,1,0,1,0,0|2,0,0]=4 794 B12R2.132 CC1=CC=C2C=NN(C2=C1)C CNP0609157.0 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [0,1,0,1,0,0|2,0,0]=4 796 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [0,1,0,1,0,0|2,0,0]=4 797 B12R2.612 CC1=CC=C2C(=C1)OC[C@H]2C CNP0185437.1 [0,1,0,1,0,0|1,0,0]=3 798 B12R2.612 CC1=CC=C2C(=O)CCC2=C1 CNP0313972.0 [0,1,0,1,0,0|1,0,1]=4 799 B12R2.612 O=C1COC2=CC(=CC=C12)O CNP0333641.0 [0,1,0,1,0,0|1,0,1]=4 800 B12R2.612 OC1=CC=C2C(=NOC2=C1)O CNP0334574.0 [0,1,0,1,0,0|2,0,0]=4 801 B12R2.82 CC1=CC=C2CCCC2=C1O CNP0311243.0 [0,1,0,1,0,0|2,0,0]=4 802 B12R2.82 CC1=CC=C2OC=CC2=C1C CNP0353341.0 [0,1,0,1,0,0|1,0,1]=4 803 B12R2.221 CC1=CC=C(C2=C1C=CO2)C CNP0124753.0 [0,1,0,1,0,0|1,0,1]=4 804 B12R2.221 CC1=CC=C(C2=C1CCC2)O CNP0240372.0 [0,1,0,1,0,0|1,0,0]=3 805 B12R2.1225 O=C1OC2=C(C=CC(=C12)O)O CNP0076738.0 [0,1,0,1,0,0|1,0,1]=4 806 B12R2.100 CC1=CC2=C(C=C1C)OC=C2 CNP0161352.0 [0,1,0,1,0,0|1,0,1]=4 807 B12R2.100 CC1=CC2=C(C=C1O)CCC2 CNP0233345.0 [0,1,0,1,0,0|2,0,0]=4 808 B12R2.100 O=C1C=C2OCOC2=CC1=O CNP0358335.0 [0,1,0,1,0,0|1,0,0]=3 809 B12R2.44 C=CC1=CC=C2OCOC2=C1 CNP0179510.0 [0,1,0,1,0,0|0,0,1]=3 810 B12R2.44 COC1=CC=C2C=COC2=C1 CNP0337609.0 [0,1,0,1,0,0|1,0,1]=4 811 B12R2.44 COC1=CC=C2OC=CC2=C1 CNP0295160.0 [0,1,0,1,0,0|1,0,1]=4 812 B12R2.44 N#CC1=CC=C2OCOC2=C1 CNP0231839.0 [0,1,0,1,0,0|0,0,1]=3 813 B12R2.44 O=CC1=CC=C2OCOC2=C1 CNP0179491.0 [0,1,0,1,0,0|0,0,1]=3 814 B12R2.44 O=[14CH]C1=CC=C2OCOC2=C1 CNP0519930.0 [0,1,0,1,0,0|0,0,1]=3 815 B12R2.44 OCC1=CC=C2OC=CC2=C1 CNP0151111.0 [0,1,0,1,0,0|1,0,1]=4 816 B12R2.44 OCC1=CC=C2OCOC2=C1 CNP0392701.0 [0,1,0,1,0,0|0,0,0]=2 817 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [1,0,0,0,1,0|2,0,0]=4 818 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [1,0,0,0,1,0|2,0,0]=4 819 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [1,0,0,0,1,0|2,0,0]=4 820 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [1,0,0,0,1,0|1,1,0]=4 821 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [1,0,0,0,1,0|1,1,0]=4 822 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [1,0,0,0,1,0|1,1,0]=4 823 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [1,0,0,0,1,0|2,0,0]=4 824 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [1,0,0,0,1,0|2,0,0]=4 825 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [1,0,0,0,1,0|1,1,0]=4 826 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [1,0,0,0,1,0|1,0,1]=4 827 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [1,0,0,0,1,0|1,0,0]=3 828 B8R1.50 OC1=COC(=C1O)O CNP0555359.0 [1,0,0,0,1,0|2,0,0]=4 829 B8R1.46 COC1=CC(=O)C1=O CNP0248390.0 [0,0,0,0,2,0|1,0,1]=4