0 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [0,0,0,0,0,0|1,0,2]=3 2 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [0,0,0,0,0,0|1,0,0]=1 6 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [0,0,0,0,0,0|0,0,0]=0 7 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [0,0,0,0,0,0|0,1,0]=1 8 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [0,0,0,0,0,0|1,0,1]=2 10 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [0,0,0,0,0,0|0,0,4]=4 16 B8R1.5 CC1=CN=CC=[N+]1[O-] CNP0547202.0 [0,0,0,0,0,0|2,0,1]=3 17 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [0,0,0,0,0,0|1,0,0]=1 18 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.5 ClC1C=CC=CC1Cl CNP0452239.0 [0,0,0,0,0,0|2,0,2]=4 21 B8R1.5 N=C1C=CNC=C1N CNP0546227.0 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [0,0,0,0,0,0|2,0,0]=2 24 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [0,0,0,0,0,0|1,0,0]=1 25 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [0,0,0,0,0,0|1,1,0]=2 26 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [0,0,0,0,0,0|1,0,1]=2 29 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [0,0,0,0,0,0|1,0,1]=2 30 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [0,0,0,0,0,0|1,0,3]=4 31 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [0,0,0,0,0,0|1,0,3]=4 34 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [0,0,0,0,0,0|2,0,0]=2 35 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [0,0,0,0,0,0|1,0,0]=1 37 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [0,0,0,0,0,0|1,0,0]=1 38 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [0,0,0,0,0,0|1,0,0]=1 39 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [0,0,0,0,0,0|2,0,0]=2 42 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [0,0,0,0,0,0|1,0,0]=1 44 B8R1.5 O[C@@H]1C=CC=C[C@@H]1O CNP0314922.2 [0,0,0,0,0,0|1,0,2]=3 45 B8R1.5 O[C@@H]1C=CC=C[C@H]1O CNP0314922.1 [0,0,0,0,0,0|1,0,2]=3 46 B8R1.5 O[C@H]1C=CC=C[C@@H]1O CNP0314922.3 [0,0,0,0,0,0|1,0,2]=3 47 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [0,0,0,0,0,0|1,0,0]=1 48 B8R1.5 [O-]N1C=CC=CC1=S CNP0491195.0 [0,0,0,0,0,0|2,0,1]=3 49 B8R1.5 [O-]N1C=CC=CC1=S CNP0532331.0 [0,0,0,0,0,0|2,0,1]=3 50 B8R1.5 [O-][N+]1=CC=CC=C1S CNP0592307.0 [0,0,0,0,0,0|2,0,1]=3 51 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [1,0,0,0,0,0|1,0,0]=2 52 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [1,0,0,0,0,0|0,0,2]=3 53 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [1,0,0,0,0,0|0,0,0]=1 54 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [1,0,0,0,0,0|1,0,0]=2 55 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,0,0,0|0,0,2]=3 56 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [1,0,0,0,0,0|1,0,0]=2 57 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [1,0,0,0,0,0|1,0,0]=2 58 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [1,0,0,0,0,0|0,0,2]=3 60 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [1,0,0,0,0,0|1,0,1]=3 62 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [1,0,0,0,0,0|1,0,1]=3 63 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [1,0,0,0,0,0|1,0,0]=2 66 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [1,0,0,0,0,0|1,0,0]=2 67 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.3 N=C1N=CC=CN1 CNP0547270.0 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [1,0,0,0,0,0|1,0,0]=2 71 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [1,0,0,0,0,0|2,0,0]=3 75 B7R1.3 NC1=NC=CC=N1 CNP0050183.0 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [1,0,0,0,0,0|0,0,2]=3 77 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [1,0,0,0,0,0|1,0,1]=3 78 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [1,0,0,0,0,0|1,0,1]=3 79 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [1,0,0,0,0,0|2,0,1]=4 80 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [1,0,0,0,0,0|1,0,1]=3 81 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [1,0,0,0,0,0|1,0,1]=3 82 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [1,0,0,0,0,0|2,0,1]=4 83 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [1,0,0,0,0,0|0,0,0]=1 84 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [1,0,0,0,0,0|1,0,0]=2 85 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [1,0,0,0,0,0|1,0,0]=2 86 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [1,0,0,0,0,0|1,0,0]=2 87 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [1,0,0,0,0,0|1,0,2]=4 88 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [1,0,0,0,0,0|0,1,0]=2 89 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [1,0,0,0,0,0|1,1,0]=3 90 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [0,1,0,0,0,0|1,0,1]=3 91 B9R1.3 C=C1C=COC(=C1O)C CNP0335368.0 [0,1,0,0,0,0|1,0,0]=2 92 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [0,1,0,0,0,0|1,0,0]=2 93 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [0,1,0,0,0,0|1,0,1]=3 95 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,1,0,0,0,0|1,0,2]=4 96 B9R1.3 CC1=C(C=CC=C1Br)O CNP0597127.0 [0,1,0,0,0,0|0,0,0]=1 97 B9R1.3 CC1=C(C=CC=C1Cl)N CNP0102945.0 [0,1,0,0,0,0|1,0,0]=2 98 B9R1.3 CC1=C(C=CC=C1N)N CNP0199822.0 [0,1,0,0,0,0|1,0,0]=2 99 B9R1.3 CC1=C(C=CC=C1O)O CNP0572969.0 [0,1,0,0,0,0|0,0,0]=1 100 B9R1.3 CC1=C(C=COC1=O)O CNP0206261.0 [0,1,0,0,0,0|1,0,0]=2 101 B9R1.3 CC1=C(OC=CC1=O)O CNP0163753.0 [0,1,0,0,0,0|1,0,0]=2 102 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [0,1,0,0,0,0|1,0,0]=2 103 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [0,1,0,0,0,0|1,0,0]=2 104 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [0,1,0,0,0,0|0,0,0]=1 105 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [0,1,0,0,0,0|1,0,0]=2 106 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,1,0,0,0,0|0,0,0]=1 108 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [0,1,0,0,0,0|0,0,0]=1 109 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [0,1,0,0,0,0|0,1,0]=2 110 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [0,1,0,0,0,0|0,0,1]=2 111 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.3 CC1=CN=CC(=C1C)C CNP0297347.0 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.3 CN1C(=CC=NC1=O)N CNP0001922.0 [0,1,0,0,0,0|2,0,1]=4 114 B9R1.3 CN1C(=NC=CC1=O)O CNP0557631.0 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.3 CN1C(=O)C=CNC1=O CNP0086090.0 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.3 CN1C(=O)C=CNC1=S CNP0267461.0 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,1,0,0,0,0|1,0,2]=4 118 B9R1.3 C[N+]1=C(C=CNC1=O)N CNP0512299.0 [0,1,0,0,0,0|2,0,1]=4 119 B9R1.3 NC1=C(C=CC=C1Cl)Cl CNP0029750.0 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.3 NC1=CC=CC(=C1Cl)Cl CNP0079961.0 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.3 O=C1C(=COC=C1O)O CNP0150760.0 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.3 O=C1C=CC=C(C1=O)O CNP0358701.0 [0,1,0,0,0,0|1,0,0]=2 123 B9R1.3 OC1=C(C=CC=C1Br)Br CNP0310547.0 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.3 OC1=C(C=CC=C1Cl)Cl CNP0231789.0 [0,1,0,0,0,0|1,0,0]=2 125 B9R1.3 OC1=CC=CC(=C1Br)Br CNP0592928.0 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.3 OC1=CC=CC(=C1Cl)Cl CNP0060336.0 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.3 OC1=CC=CC(=C1O)O CNP0308187.0 [0,1,0,0,0,0|1,0,0]=2 128 B9R1.3 OC1C=CC=C(C1O)Br CNP0118456.0 [0,1,0,0,0,0|1,0,2]=4 129 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [0,1,0,0,0,0|1,0,0]=2 130 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [0,1,0,0,0,0|0,0,1]=2 131 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [0,1,0,0,0,0|1,0,0]=2 133 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [0,1,0,0,0,0|0,0,1]=2 134 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [0,1,0,0,0,0|1,0,0]=2 135 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [0,1,0,0,0,0|0,0,0]=1 136 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [0,1,0,0,0,0|0,0,1]=2 137 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [0,1,0,0,0,0|1,0,1]=3 138 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [0,1,0,0,0,0|1,0,0]=2 140 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [0,1,0,0,0,0|1,0,0]=2 141 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [0,1,0,0,0,0|1,0,0]=2 142 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [0,1,0,0,0,0|0,0,0]=1 143 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [0,1,0,0,0,0|0,1,0]=2 144 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.15 CCC1=NC=CN=C1C CNP0243820.0 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [0,1,0,0,0,0|0,0,0]=1 149 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [0,1,0,0,0,0|1,0,0]=2 150 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [0,1,0,0,0,0|0,0,0]=1 151 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [0,1,0,0,0,0|0,0,2]=3 152 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [0,1,0,0,0,0|1,0,0]=2 153 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [0,1,0,0,0,0|1,0,1]=3 154 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [0,1,0,0,0,0|1,0,1]=3 155 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [0,1,0,0,0,0|2,0,0]=3 157 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [0,1,0,0,0,0|0,0,0]=1 158 B9R1.15 CSC1=NC=CN=C1C CNP0238636.0 [0,1,0,0,0,0|2,1,0]=4 159 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [0,1,0,0,0,0|1,0,1]=3 160 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [0,1,0,0,0,0|1,0,0]=2 161 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [0,1,0,0,0,0|0,0,0]=1 162 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [0,1,0,0,0,0|1,0,2]=4 164 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [0,1,0,0,0,0|1,0,1]=3 165 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [0,1,0,0,0,0|0,0,1]=2 166 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [0,1,0,0,0,0|1,0,0]=2 167 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [0,1,0,0,0,0|0,0,0]=1 168 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [0,1,0,0,0,0|1,0,0]=2 169 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [0,1,0,0,0,0|1,0,0]=2 170 B9R1.69 C=C1C=C[C@@H](C(=C1)Cl)Cl CNP0546368.1 [0,1,0,0,0,0|2,0,1]=4 171 B9R1.69 CC1=C(NC(=O)N=C1)N CNP0315727.0 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [0,1,0,0,0,0|1,0,0]=2 174 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [0,1,0,0,0,0|1,0,0]=2 175 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [0,1,0,0,0,0|1,0,0]=2 177 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [0,1,0,0,0,0|1,0,0]=2 178 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [0,1,0,0,0,0|1,0,0]=2 179 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [0,1,0,0,0,0|1,0,0]=2 180 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [0,1,0,0,0,0|1,0,0]=2 181 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [0,1,0,0,0,0|0,0,0]=1 182 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [0,1,0,0,0,0|2,0,0]=3 183 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [0,1,0,0,0,0|0,0,1]=2 184 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,1,0,0,0,0|1,0,2]=4 185 B9R1.69 CC1=CC(C=CC1O)O CNP0455439.0 [0,1,0,0,0,0|0,0,2]=3 186 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [0,1,0,0,0,0|1,0,0]=2 189 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [0,1,0,0,0,0|1,0,0]=2 190 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [0,1,0,0,0,0|1,0,0]=2 191 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [0,1,0,0,0,0|1,0,0]=2 192 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,1,0,0,0,0|0,0,0]=1 193 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [0,1,0,0,0,0|1,0,0]=2 194 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [0,1,0,0,0,0|1,0,0]=2 197 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [0,1,0,0,0,0|1,0,0]=2 199 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [0,1,0,0,0,0|1,0,0]=2 202 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [0,1,0,0,0,0|1,1,0]=3 203 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [0,1,0,0,0,0|0,0,0]=1 204 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [0,1,0,0,0,0|1,0,0]=2 205 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [0,1,0,0,0,0|1,0,0]=2 207 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [0,1,0,0,0,0|1,0,0]=2 209 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [0,1,0,0,0,0|1,0,0]=2 210 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [0,1,0,0,0,0|1,0,0]=2 211 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [0,1,0,0,0,0|1,0,0]=2 212 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [0,1,0,0,0,0|1,0,0]=2 213 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [0,1,0,0,0,0|1,0,0]=2 214 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [0,1,0,0,0,0|1,0,0]=2 215 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [0,1,0,0,0,0|0,0,0]=1 216 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.69 CC1=CN=C(C(=O)N1)C CNP0598520.0 [0,1,0,0,0,0|2,0,1]=4 220 B9R1.69 CC1=CN=C(N=C1O)O CNP0517257.0 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.69 CC1=CN=[11C](N=C1O)O CNP0546373.0 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.69 CC1=CNC(=O)C=C1O CNP0017901.0 [0,1,0,0,0,0|1,0,0]=2 223 B9R1.69 CC1=CNC(=O)N=C1N CNP0513326.0 [0,1,0,0,0,0|3,0,0]=4 224 B9R1.69 CC1=CNC(=O)NC1=O CNP0143365.0 [0,1,0,0,0,0|2,0,1]=4 225 B9R1.69 CC1=C[N+](=C(C=N1)C)[O-] CNP0514079.0 [0,1,0,0,0,0|2,0,1]=4 226 B9R1.69 CC1=C[N+](=CC=[N+]1[O-])[O-] CNP0596721.0 [0,1,0,0,0,0|2,0,1]=4 227 B9R1.69 CC1=NC=C(C(=N1)N)C CNP0518359.0 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.69 CN1C=CC(=NC1=O)N CNP0579381.0 [0,1,0,0,0,0|2,0,1]=4 229 B9R1.69 CN1C=CC(=NC1=O)O CNP0514957.0 [0,1,0,0,0,0|2,0,1]=4 230 B9R1.69 CN1C=CC(=O)NC1=O CNP0199194.0 [0,1,0,0,0,0|2,0,1]=4 231 B9R1.69 CN1C=CC(=O)NC1=S CNP0157783.0 [0,1,0,0,0,0|2,1,0]=4 232 B9R1.69 C[C@@H]1CC(=O)C=CC1=O CNP0273693.1 [0,1,0,0,0,0|0,0,3]=4 233 B9R1.69 C[C@@H]1OC(=O)C=C[C@H]1O CNP0277618.1 [0,1,0,0,0,0|1,0,2]=4 234 B9R1.69 C[C@H]1OC(=O)C=C[C@@H]1O CNP0277618.2 [0,1,0,0,0,0|1,0,2]=4 235 B9R1.69 C[C@H]1OC(=O)C=C[C@H]1O CNP0277618.3 [0,1,0,0,0,0|1,0,2]=4 236 B9R1.69 C[N+]1=CC(=CC=C1N)I CNP0606794.0 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.69 ClC1=CC=C(C(=C1)Cl)Cl CNP0206286.0 [0,1,0,0,0,0|2,0,0]=3 238 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [0,1,0,0,0,0|1,0,0]=2 239 B9R1.69 NC1=CC(=CC=C1Cl)Cl CNP0040093.0 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [0,1,0,0,0,0|1,0,0]=2 241 B9R1.69 NC1=CC(=CC=C1S)Cl CNP0458275.0 [0,1,0,0,0,0|1,1,0]=3 242 B9R1.69 NC1=CC=C(C(=C1)N)N CNP0131312.0 [0,1,0,0,0,0|2,0,0]=3 243 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [0,1,0,0,0,0|1,0,0]=2 244 B9R1.69 NC1=CC=C(C=C1Br)Br CNP0063783.0 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.69 NC1=CC=C(C=C1Cl)Cl CNP0048955.0 [0,1,0,0,0,0|2,0,0]=3 246 B9R1.69 NC1=NC=C(C=C1Br)Br CNP0105917.0 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.69 O=C1C=C(C(=CN1)Cl)O CNP0569686.0 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [0,1,0,0,0,0|1,0,0]=2 249 B9R1.69 O=C1C=CN(C(=O)N1)O CNP0212690.0 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.69 O=C1NC=C(C(=O)N1)O CNP0573977.0 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [0,1,0,0,0,0|1,0,0]=2 252 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [0,1,0,0,0,0|1,0,0]=2 253 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [0,1,0,0,0,0|2,0,0]=3 254 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [0,1,0,0,0,0|1,0,0]=2 255 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [0,1,0,0,0,0|1,0,0]=2 256 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [0,1,0,0,0,0|1,0,0]=2 257 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [0,1,0,0,0,0|1,0,0]=2 258 B9R1.69 OC1=NC=C(C(=N1)O)O CNP0090439.0 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.69 OC1C=CC(=CC1O)Br CNP0083764.0 [0,1,0,0,0,0|1,0,2]=4 260 B9R1.69 OC1C=CC(=CC1O)Cl CNP0158763.0 [0,1,0,0,0,0|1,0,2]=4 261 B7R0.1 C=CC=CC=CCC CNP0261432.0 [0,0,1,0,0,0|1,0,1]=3 262 B7R0.1 C=CC=CCC=CC CNP0290357.0 [0,0,1,0,0,0|1,0,1]=3 263 B7R0.1 CC=CC=CC=CC CNP0185443.0 [0,0,1,0,0,0|1,0,0]=2 264 B7R0.1 CC=CC=CCCC CNP0275494.0 [0,0,1,0,0,0|1,0,2]=4 265 B7R0.1 CC=CCC=CCO CNP0168622.0 [0,0,1,0,0,0|0,0,2]=3 266 B7R0.1 CC=CCCC=CC CNP0082120.0 [0,0,1,0,0,0|1,0,2]=4 267 B7R0.1 CC=CSSC=CC CNP0204440.0 [0,0,1,0,0,0|3,0,0]=4 268 B7R0.1 CCC=CC=CC=O CNP0276667.0 [0,0,1,0,0,0|0,0,2]=3 269 B7R0.1 CCC=CC=CCC CNP0546897.0 [0,0,1,0,0,0|1,0,2]=4 270 B7R0.1 CCC=CC=CCO CNP0332799.0 [0,0,1,0,0,0|0,0,2]=3 271 B7R0.1 CCCC=CC=CO CNP0524724.0 [0,0,1,0,0,0|0,0,2]=3 272 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [0,0,1,0,0,0|1,0,1]=3 273 B7R0.1 O=CC=CC=CCO CNP0296757.0 [0,0,1,0,0,0|1,0,1]=3 274 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [0,0,1,0,0,0|1,0,1]=3 275 B7R0.3 C=CC=CC(C)C=C CNP0076743.0 [0,0,1,0,0,0|1,0,1]=3 276 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [0,0,1,0,0,0|1,0,2]=4 277 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [0,0,1,0,0,0|1,0,2]=4 278 B7R0.5 C=C=CC(=O)C(=O)O CNP0083854.0 [0,0,1,0,0,0|2,0,1]=4 279 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [0,0,1,0,0,0|2,0,0]=3 280 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [0,0,1,0,0,0|1,0,2]=4 281 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [0,0,1,0,0,0|2,0,1]=4 282 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [0,0,1,0,0,0|1,0,2]=4 283 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [0,0,1,0,0,0|2,0,1]=4 284 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [0,0,1,0,0,0|1,0,2]=4 285 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [0,0,1,0,0,0|1,0,2]=4 286 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [0,0,1,0,0,0|1,0,2]=4 287 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [0,0,0,1,0,0|1,0,0]=2 288 B9R2.50 C1=CCC2=C(C1)CC2 CNP0258047.0 [0,0,0,1,0,0|1,0,2]=4 289 B9R2.109 BrC1=CC=CC2C1O2 CNP0107193.0 [0,0,0,1,0,0|1,0,2]=4 290 B7R1.4 BrC1=C(NC=C1)Br CNP0316890.0 [0,0,0,0,1,0|3,0,0]=4 291 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,0,0,0,1,0|1,1,0]=3 292 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [0,0,0,0,1,0|1,1,0]=3 293 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,0,0,0,1,0|2,0,0]=3 294 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [0,0,0,0,1,0|3,0,0]=4 295 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,0,0,0,1,0|2,0,0]=3 296 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [0,0,0,0,1,0|3,0,0]=4 297 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,0,1,0|0,0,3]=4 298 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,0,1,0|1,0,2]=4 299 B7R1.4 CC1=CN=CN1C CNP0283331.0 [0,0,0,0,1,0|3,0,0]=4 300 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,0,0,0,1,0|2,0,0]=3 301 B7R1.4 CC1=NC=CN1C CNP0511652.0 [0,0,0,0,1,0|3,0,0]=4 302 B7R1.4 CN1C=CN=C1N CNP0308541.0 [0,0,0,0,1,0|3,0,0]=4 303 B7R1.4 CN1C=CN=C1S CNP0605467.0 [0,0,0,0,1,0|2,1,0]=4 304 B7R1.4 CN1C=CNC1=S CNP0156475.0 [0,0,0,0,1,0|2,1,0]=4 305 B7R1.4 CN1C=NC=C1Cl CNP0048393.0 [0,0,0,0,1,0|3,0,0]=4 306 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,0,1,0|1,0,2]=4 307 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,0,1,0|1,0,2]=4 308 B7R1.4 O=C1CCC=C1O CNP0104225.0 [0,0,0,0,1,0|1,0,2]=4 309 B7R1.4 O=C1OCC=C1O CNP0541078.0 [0,0,0,0,1,0|2,0,1]=4 310 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [0,0,0,0,1,0|2,0,0]=3 311 B9R1.5 O=C1C=CC=CC=C1O CNP0148494.0 [0,0,0,0,0,1|1,0,0]=2 312 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,0,0,0,0,1|1,0,0]=2 313 B6R0.6 C=CC#CC=CC CNP0360102.0 [1,0,1,0,0,0|0,0,2]=4 314 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,1,0,0,0|0,0,0]=2 315 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,1,0,0,0|0,0,2]=4 316 B6R0.6 C=CCCC=CC CNP0426808.0 [1,0,1,0,0,0|0,0,2]=4 317 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,1,0,0,0|0,0,1]=3 318 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,1,0,0,0|0,0,2]=4 319 B6R0.6 CC=CC=CCO CNP0292375.0 [1,0,1,0,0,0|0,0,1]=3 320 B6R0.6 CC=COC=CC CNP0612224.0 [1,0,1,0,0,0|1,0,1]=4 321 B6R0.6 CC=CSC=CC CNP0002507.0 [1,0,1,0,0,0|1,0,1]=4 322 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [1,0,1,0,0,0|0,0,0]=2 323 B6R0.1 C=CC=C(C)CO CNP0191364.0 [1,0,1,0,0,0|0,0,1]=3 324 B6R0.1 CC(=CC=O)CO CNP0083852.0 [1,0,1,0,0,0|1,0,1]=4 325 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,0,1,0,0,0|0,0,2]=4 326 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,0,1,0,0,0|1,0,0]=3 327 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,1,0,0,0|0,0,2]=4 328 B6R0.3 C=CC(=O)C(=O)O CNP0593167.0 [1,0,1,0,0,0|2,0,0]=4 329 B6R0.3 CC=C(C)C(=O)O CNP0238363.0 [1,0,1,0,0,0|1,0,1]=4 330 B6R1.1 C1=CC=CC=C1 CNP0140642.0 [2,0,0,0,0,0|0,0,0]=2 331 B6R1.1 C1=CC=NC=C1 CNP0160377.0 [2,0,0,0,0,0|1,0,0]=3 332 B6R1.1 C1=CC=[GeH]C=C1 CNP0610073.0 [2,0,0,0,0,0|0,1,0]=3 333 B6R1.1 C1=CCC=CC1 CNP0508932.0 [2,0,0,0,0,0|0,0,2]=4 334 B6R1.1 C1=CCCC=C1 CNP0267898.0 [2,0,0,0,0,0|0,0,2]=4 335 B6R1.1 C1=CCNC=C1 CNP0081217.0 [2,0,0,0,0,0|1,0,1]=4 336 B6R1.1 C1=CCOC=C1 CNP0513975.0 [2,0,0,0,0,0|1,0,1]=4 337 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [2,0,0,0,0,0|1,0,1]=4 338 B6R1.1 C1=CN=CC=N1 CNP0190332.0 [2,0,0,0,0,0|2,0,0]=4 339 B6R1.1 C1=CN=CN=C1 CNP0415803.0 [2,0,0,0,0,0|2,0,0]=4 340 B6R1.1 C1=CSSC=C1 CNP0509445.0 [2,0,0,0,0,0|2,0,0]=4 341 B6R1.1 [C]1=CC=CC=C1 CNP0517520.0 [2,0,0,0,0,0|0,0,1]=3 342 B8R0.4 C=CCC=CC=CC=O CNP0394181.0 [0,1,1,0,0,0|0,0,2]=4 343 B8R0.4 CC=CC=CCCCO CNP0492923.0 [0,1,1,0,0,0|0,0,2]=4 344 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [0,1,1,0,0,0|0,0,2]=4 345 B8R0.4 CC=CCCC=CCO CNP0076887.0 [0,1,1,0,0,0|0,0,2]=4 346 B8R0.4 CCC=CC=CCCO CNP0339953.0 [0,1,1,0,0,0|0,0,2]=4 347 B8R0.4 CCC=CCC=CCO CNP0338368.0 [0,1,1,0,0,0|0,0,2]=4 348 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,1,1,0,0,0|0,0,2]=4 349 B8R0.4 CCCC=CC=CCO CNP0175481.0 [0,1,1,0,0,0|0,0,2]=4 350 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [0,1,1,0,0,0|1,0,1]=4 351 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,1,1,0,0,0|2,0,0]=4 352 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [0,1,1,0,0,0|0,0,2]=4 353 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,1,1,0,0,0|1,0,0]=3 354 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,1,1,0,0,0|0,0,2]=4 355 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,1,1,0,0,0|0,0,2]=4 356 B8R0.7 CCC=CC=CC(=O)O CNP0376269.0 [0,1,1,0,0,0|0,0,1]=3 357 B8R0.8 C=C/C=C/[C@@H](O)[C@@H](C)O CNP0429194.1 [0,1,1,0,0,0|0,0,2]=4 358 B8R0.8 C=C/C=C\[C@@H](N)C(=O)O CNP0232155.1 [0,1,1,0,0,0|1,0,1]=4 359 B8R0.8 C=CC=CC(N)C(=O)O CNP0232155.0 [0,1,1,0,0,0|1,0,1]=4 360 B8R0.8 CC=CC=C(C)C(=O)O CNP0232532.0 [0,1,1,0,0,0|0,0,1]=3 361 B8R0.9 C=C(O)C=CC(=O)C=O CNP0588260.0 [0,1,1,0,0,0|1,0,1]=4 362 B8R0.9 C=C(O)C=CC(=O)C=O CNP0602025.0 [0,1,1,0,0,0|1,0,1]=4 363 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,1,1,0,0,0|0,0,2]=4 364 B8R0.19 CC=C(C)C=C(C)CO CNP0307713.0 [0,1,1,0,0,0|0,0,2]=4 365 B8R0.2 C=CC(=C(O)C(=O)O)Cl CNP0377725.0 [0,1,1,0,0,0|2,0,0]=4 366 B8R0.23 CC(=CC(=O)N)C(=O)O CNP0166908.0 [0,1,1,0,0,0|2,0,0]=4 367 B8R0.23 CC(=CC(=O)O)C(=O)O CNP0236669.0 [0,1,1,0,0,0|2,0,0]=4 368 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [1,1,0,0,0,0|2,0,0]=4 369 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [1,1,0,0,0,0|0,0,1]=3 370 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [1,1,0,0,0,0|0,0,1]=3 371 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,1,0,0,0,0|1,0,1]=4 372 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [1,1,0,0,0,0|1,0,1]=4 373 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,1,0,0,0,0|0,0,0]=2 374 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,1,0,0,0,0|1,0,0]=3 375 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,1,0,0,0,0|1,0,0]=3 376 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,1,0,0,0,0|2,0,0]=4 377 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [1,1,0,0,0,0|1,0,0]=3 378 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,1,0,0,0,0|0,0,0]=2 379 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,1,0,0,0,0|0,0,0]=2 380 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,1,0,0,0,0|1,0,0]=3 382 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [1,1,0,0,0,0|0,0,1]=3 383 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [1,1,0,0,0,0|2,0,0]=4 384 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,1,0,0,0,0|0,0,0]=2 385 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [1,1,0,0,0,0|2,0,0]=4 386 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [1,1,0,0,0,0|0,0,0]=2 387 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [1,1,0,0,0,0|0,0,1]=3 388 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,1,0,0,0,0|1,0,1]=4 389 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [1,1,0,0,0,0|1,0,1]=4 390 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [1,1,0,0,0,0|1,0,1]=4 391 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [1,1,0,0,0,0|0,0,0]=2 392 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,1,0,0,0,0|1,0,0]=3 393 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [1,1,0,0,0,0|1,0,0]=3 394 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [1,1,0,0,0,0|0,0,0]=2 395 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [1,1,0,0,0,0|0,0,1]=3 396 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,1,0,0,0,0|1,0,1]=4 397 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,1,0,0,0,0|1,0,1]=4 398 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [1,1,0,0,0,0|0,0,1]=3 399 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,1,0,0,0,0|1,0,1]=4 400 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [1,1,0,0,0,0|0,0,0]=2 401 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [1,1,0,0,0,0|0,0,2]=4 402 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [1,1,0,0,0,0|1,0,0]=3 403 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [1,1,0,0,0,0|1,0,0]=3 404 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [1,1,0,0,0,0|0,0,1]=3 405 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [1,1,0,0,0,0|0,0,0]=2 406 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,1,0,0,0,0|1,0,0]=3 407 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,1,0,0,0,0|1,0,0]=3 408 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [1,1,0,0,0,0|2,0,0]=4 409 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [1,1,0,0,0,0|0,0,0]=2 410 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [1,1,0,0,0,0|0,0,0]=2 411 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [1,1,0,0,0,0|1,0,0]=3 412 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [1,1,0,0,0,0|0,0,1]=3 413 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [1,1,0,0,0,0|0,0,0]=2 414 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [1,1,0,0,0,0|0,0,0]=2 415 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [1,1,0,0,0,0|0,0,0]=2 416 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [1,1,0,0,0,0|0,0,0]=2 417 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [1,1,0,0,0,0|0,0,0]=2 418 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [1,1,0,0,0,0|0,0,0]=2 419 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [1,1,0,0,0,0|1,0,0]=3 420 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [1,1,0,0,0,0|1,0,0]=3 421 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [1,1,0,0,0,0|1,0,0]=3 422 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [1,1,0,0,0,0|1,0,0]=3 423 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [1,1,0,0,0,0|1,0,0]=3 424 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [1,1,0,0,0,0|1,0,0]=3 425 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [1,1,0,0,0,0|2,0,0]=4 426 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [1,1,0,0,0,0|1,0,0]=3 427 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [1,1,0,0,0,0|1,0,0]=3 428 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [1,1,0,0,0,0|1,0,0]=3 429 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [1,1,0,0,0,0|1,0,0]=3 430 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [1,1,0,0,0,0|1,0,0]=3 431 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [1,1,0,0,0,0|1,0,0]=3 432 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [1,1,0,0,0,0|0,0,0]=2 433 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [1,1,0,0,0,0|2,0,0]=4 434 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [1,1,0,0,0,0|2,0,0]=4 435 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [1,1,0,0,0,0|2,0,0]=4 436 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [1,1,0,0,0,0|1,0,0]=3 437 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [1,1,0,0,0,0|0,0,1]=3 438 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [1,1,0,0,0,0|0,0,0]=2 439 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [1,1,0,0,0,0|0,0,0]=2 440 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [1,1,0,0,0,0|0,0,0]=2 441 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [1,1,0,0,0,0|0,0,0]=2 442 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [1,1,0,0,0,0|0,0,0]=2 443 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [1,1,0,0,0,0|1,0,0]=3 444 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [1,1,0,0,0,0|2,0,0]=4 445 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [1,1,0,0,0,0|1,0,0]=3 446 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [1,1,0,0,0,0|1,0,0]=3 447 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [1,1,0,0,0,0|1,0,0]=3 448 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [1,1,0,0,0,0|0,0,0]=2 449 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [1,1,0,0,0,0|0,0,0]=2 450 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [1,1,0,0,0,0|0,0,0]=2 451 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [1,1,0,0,0,0|0,0,0]=2 452 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [1,1,0,0,0,0|0,0,0]=2 453 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [1,1,0,0,0,0|1,0,0]=3 454 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [1,1,0,0,0,0|1,0,0]=3 455 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [1,1,0,0,0,0|1,0,0]=3 456 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [1,1,0,0,0,0|1,0,0]=3 457 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [1,1,0,0,0,0|1,0,0]=3 458 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [1,1,0,0,0,0|1,0,0]=3 459 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [1,1,0,0,0,0|2,0,0]=4 460 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [1,1,0,0,0,0|2,0,0]=4 461 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [1,1,0,0,0,0|1,0,0]=3 462 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [1,1,0,0,0,0|0,0,2]=4 463 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [1,1,0,0,0,0|1,0,0]=3 464 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [1,1,0,0,0,0|1,0,0]=3 465 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [1,1,0,0,0,0|2,0,0]=4 466 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [1,1,0,0,0,0|2,0,0]=4 467 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [1,1,0,0,0,0|1,0,0]=3 468 B8R1.4 N=C1C=CN=C(N1)O CNP0571963.0 [1,1,0,0,0,0|2,0,0]=4 469 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [1,1,0,0,0,0|1,0,0]=3 470 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [1,1,0,0,0,0|1,0,0]=3 471 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [1,1,0,0,0,0|0,0,0]=2 472 B8R1.4 NC1=CC=NC(=N1)O CNP0547363.0 [1,1,0,0,0,0|2,0,0]=4 473 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [1,1,0,0,0,0|0,0,0]=2 474 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [1,1,0,0,0,0|0,0,0]=2 475 B8R1.4 OC1=CC=NC(=N1)O CNP0482999.0 [1,1,0,0,0,0|2,0,0]=4 476 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [1,1,0,0,0,0|2,0,0]=4 477 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [1,1,0,0,0,0|2,0,0]=4 478 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [1,1,0,0,0,0|0,0,1]=3 479 B8R1.4 [O-][N+]1=CC=NC(=C1)O CNP0482940.0 [1,1,0,0,0,0|2,0,0]=4 480 B8R1.4 [O]C1=NC=CC(=N1)O CNP0583301.0 [1,1,0,0,0,0|2,0,0]=4 481 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,0,1,0|1,0,1]=4 482 B8R1.11 CN1C=CC=C1C=O CNP0330162.0 [0,1,0,0,1,0|1,0,1]=4 483 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,1,0,0,1,0|1,1,0]=4 484 B8R1.11 NCC1=CON=C1O CNP0204327.0 [0,1,0,0,1,0|2,0,0]=4 485 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,1,0,0,1,0|2,0,0]=4 486 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,0,1,0|2,0,0]=4 487 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,1,0,0,1,0|1,1,0]=4 488 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,0,1,0|1,0,1]=4 489 B8R1.18 CC1=CC(=O)N[C@@H]1O CNP0160164.1 [0,1,0,0,1,0|1,0,1]=4 490 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,0,1,0|1,0,1]=4 491 B8R1.18 CC1=C[C@@H](N=C1O)O CNP0545516.1 [0,1,0,0,1,0|1,0,1]=4 492 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,1,0,0,1,0|1,0,1]=4 493 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,1,0,0,1,0|1,0,1]=4 494 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [0,1,0,0,1,0|0,0,2]=4 495 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,1,0,0,1,0|0,0,2]=4 496 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,1,0,0,1,0|1,0,1]=4 497 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,1,0,0,1,0|1,0,1]=4 498 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,0,1,0|1,0,1]=4 499 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [0,1,0,0,1,0|1,0,0]=3 500 B8R1.50 OC1=COC(=C1O)O CNP0555359.0 [0,1,0,0,1,0|2,0,0]=4 501 B10R1.19 CNC1=CC=CC=CC1=O CNP0365343.0 [0,1,0,0,0,1|0,0,1]=3 502 B10R1.19 COC1=CC=CC=CC1=O CNP0338475.0 [0,1,0,0,0,1|0,0,1]=3 503 B10R1.275 O=C1C(=CC=CC=C1O)O CNP0390803.0 [0,1,0,0,0,1|1,0,0]=3 504 B10R1.275 O=C1C=CC=CC(=C1O)O CNP0516954.0 [0,1,0,0,0,1|1,0,0]=3 505 B10R1.332 CC1=C(C=CC(=O)C=C1)Cl CNP0070609.0 [0,1,0,0,0,1|1,0,0]=3 506 B10R1.2 C#[N+]C1=CC=CC(=C1O)N CNP0440267.0 [0,2,0,0,0,0|0,0,1]=3 507 B10R1.2 CC1=CC=CC(=C1C)C#N CNP0139053.0 [0,2,0,0,0,0|1,0,0]=3 508 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [0,2,0,0,0,0|0,0,1]=3 509 B10R1.2 CCC1=C(C(=O)C=CO1)O CNP0197022.0 [0,2,0,0,0,0|1,0,0]=3 510 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [0,2,0,0,0,0|1,0,0]=3 511 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [0,2,0,0,0,0|0,0,0]=2 512 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [0,2,0,0,0,0|0,0,0]=2 513 B10R1.2 CN1C=CC=C(C1=O)C#N CNP0276733.0 [0,2,0,0,0,0|1,0,1]=4 514 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [0,2,0,0,0,0|0,0,0]=2 515 B10R1.2 COC1=CC=CC(=C1N)C CNP0448107.0 [0,2,0,0,0,0|1,0,0]=3 516 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [0,2,0,0,0,0|0,0,0]=2 517 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [0,2,0,0,0,0|0,0,0]=2 518 B10R1.2 COC1=CC=CC(=O)C1=O CNP0358042.0 [0,2,0,0,0,0|0,0,1]=3 519 B10R1.2 COC1=COC=C(C1=O)O CNP0275843.0 [0,2,0,0,0,0|1,0,1]=4 520 B10R1.2 O=C1C=COC(=C1O)CO CNP0298786.0 [0,2,0,0,0,0|1,0,0]=3 521 B10R1.2 O=CC1=CC=CC(=C1O)O CNP0104242.0 [0,2,0,0,0,0|0,0,1]=3 522 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [0,2,0,0,0,0|0,0,0]=2 523 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [0,2,0,0,0,0|0,0,0]=2 524 B10R1.22 CC1=C(C(=O)NC(=O)N1)O CNP0368070.0 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.22 CC1=C(C=C(C=C1Cl)S)Cl CNP0108382.0 [0,2,0,0,0,0|1,0,0]=3 526 B10R1.22 CC1=C(C=C(C=C1O)O)O CNP0270802.0 [0,2,0,0,0,0|0,0,0]=2 527 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Cl CNP0179139.0 [0,2,0,0,0,0|2,0,0]=4 528 B10R1.22 CC1=CC(=C(C(=C1)Br)N)Cl CNP0063027.0 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.22 CC1=CC(=C(C(=C1)Br)N)N CNP0039347.0 [0,2,0,0,0,0|2,0,0]=4 530 B10R1.22 CC1=CC(=C(C(=C1)Br)O)Br CNP0242146.0 [0,2,0,0,0,0|1,0,0]=3 531 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CNP0375454.0 [0,2,0,0,0,0|1,0,0]=3 532 B10R1.22 CC1=CC(=C(C(=C1)C)N)C CNP0072418.0 [0,2,0,0,0,0|1,0,0]=3 533 B10R1.22 CC1=CC(=C(C(=C1)C)O)C CNP0321032.0 [0,2,0,0,0,0|0,0,0]=2 534 B10R1.22 CC1=CC(=C(C(=C1)Cl)Br)Cl CNP0296853.0 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.22 CC1=CC(=C(C(=C1)Cl)N)N CNP0097451.0 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.22 CC1=CC(=C(C(=C1)N)C)C CNP0027884.0 [0,2,0,0,0,0|1,0,0]=3 537 B10R1.22 CC1=CC(=C(C(=C1)O)C)C CNP0281157.0 [0,2,0,0,0,0|0,0,0]=2 538 B10R1.22 CC1=CC(=C(C(=C1)O)C)O CNP0156178.0 [0,2,0,0,0,0|0,0,0]=2 539 B10R1.22 CC1=CC(=C(C(=C1)O)Cl)O CNP0171455.0 [0,2,0,0,0,0|1,0,0]=3 540 B10R1.22 CC1=CC(=C(C(=C1)O)O)C CNP0386654.0 [0,2,0,0,0,0|0,0,0]=2 541 B10R1.22 CC1=CC(=C(C(=C1)O)O)O CNP0266425.0 [0,2,0,0,0,0|1,0,0]=3 542 B10R1.22 CC1=CC(=C(C(=N1)C)C)C CNP0182494.0 [0,2,0,0,0,0|2,0,0]=4 543 B10R1.22 CC1=CC(=C(C(=O)O1)C)O CNP0371588.0 [0,2,0,0,0,0|1,0,0]=3 544 B10R1.22 CC1=CC(=CC(=C1C)C)N CNP0214882.0 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.22 CC1=CC(=CC(=C1C)C)O CNP0208232.0 [0,2,0,0,0,0|1,0,0]=3 546 B10R1.22 CC1=CC(=CC(=C1C)O)O CNP0138651.0 [0,2,0,0,0,0|0,0,0]=2 547 B10R1.22 CC1=CC(=CC(=C1Cl)C)O CNP0229378.0 [0,2,0,0,0,0|1,0,0]=3 548 B10R1.22 CC1=CC(=CC(=C1Cl)O)O CNP0283107.0 [0,2,0,0,0,0|1,0,0]=3 549 B10R1.22 CC1=CC(=CC(=C1N)C)I CNP0086270.0 [0,2,0,0,0,0|1,0,0]=3 550 B10R1.22 CC1=CC(=CC(=C1O)C)O CNP0107250.0 [0,2,0,0,0,0|0,0,0]=2 551 B10R1.22 CC1=CC(=CC(=C1O)O)O CNP0249116.0 [0,2,0,0,0,0|0,0,0]=2 552 B10R1.22 CC1=CC(=CC(=[N+]1[O-])C)Cl CNP0584434.0 [0,2,0,0,0,0|1,0,1]=4 553 B10R1.22 CC1=CC(=NC(=C1N)Cl)Cl CNP0023634.0 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.22 CC1=CC(=O)C=C(C1=O)C CNP0081563.0 [0,2,0,0,0,0|0,0,1]=3 555 B10R1.22 CC1=CC(=O)C=C(C1=O)O CNP0106705.0 [0,2,0,0,0,0|0,0,1]=3 556 B10R1.22 CC1=CC(=[N+](C(=C1)C)[O-])C CNP0516353.0 [0,2,0,0,0,0|1,0,1]=4 557 B10R1.22 CN1C=C(C=C(C1=O)Br)Br CNP0224301.0 [0,2,0,0,0,0|1,0,1]=4 558 B10R1.22 NC1=C(C=C(C=C1Br)Br)Br CNP0057961.0 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.22 NC1=C(C=C(C=C1Cl)Cl)Cl CNP0036320.0 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.22 NC1=CC(=C(C(=C1)O)O)N CNP0223457.0 [0,2,0,0,0,0|1,0,0]=3 561 B10R1.22 NC1=CC(=O)C=C(C1=O)O CNP0072657.0 [0,2,0,0,0,0|1,0,0]=3 562 B10R1.22 O=C1C=C(C(=O)C(=C1)Br)Br CNP0157909.0 [0,2,0,0,0,0|1,0,1]=4 563 B10R1.22 O=C1C=C(C(=O)C(=C1)O)O CNP0322998.0 [0,2,0,0,0,0|1,0,0]=3 564 B10R1.22 OC1=C(C=C(C=C1Br)Br)Br CNP0415243.0 [0,2,0,0,0,0|1,0,0]=3 565 B10R1.22 OC1=C(C=C(C=C1Br)Br)Cl CNP0017890.0 [0,2,0,0,0,0|1,0,0]=3 566 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Br CNP0371629.0 [0,2,0,0,0,0|1,0,0]=3 567 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Cl CNP0322036.0 [0,2,0,0,0,0|1,0,0]=3 568 B10R1.22 OC1=C(C=C(C=C1Cl)I)Cl CNP0173173.0 [0,2,0,0,0,0|1,0,0]=3 569 B10R1.22 OC1=CC(=C(C(=C1)Br)Br)O CNP0224842.0 [0,2,0,0,0,0|1,0,0]=3 570 B10R1.22 OC1=CC(=C(C(=C1)Br)O)Br CNP0113606.0 [0,2,0,0,0,0|1,0,0]=3 571 B10R1.22 OC1=CC(=C(C(=C1)Cl)O)Cl CNP0083796.0 [0,2,0,0,0,0|1,0,0]=3 572 B10R1.22 OC1=CC(=C(C(=C1)I)O)I CNP0313558.0 [0,2,0,0,0,0|1,0,0]=3 573 B10R1.22 OC1=CC(=C(C(=C1)O)Br)O CNP0173865.0 [0,2,0,0,0,0|1,0,0]=3 574 B10R1.22 OC1=CC(=C(C(=C1)O)Cl)O CNP0254438.0 [0,2,0,0,0,0|1,0,0]=3 575 B10R1.22 OC1=CC(=C(C(=C1)O)I)O CNP0053849.0 [0,2,0,0,0,0|1,0,0]=3 576 B10R1.22 OC1=CC(=C(C(=C1)O)O)O CNP0134222.0 [0,2,0,0,0,0|1,0,0]=3 577 B10R1.22 OC1=CC(=CC(=C1O)Br)Br CNP0081702.0 [0,2,0,0,0,0|1,0,0]=3 578 B10R1.22 OC1=CC(=CC(=C1O)Cl)Cl CNP0598413.0 [0,2,0,0,0,0|1,0,0]=3 579 B10R1.119 CC1=C(C(=O)C(=CO1)C)O CNP0126465.0 [0,2,0,0,0,0|1,0,0]=3 580 B10R1.119 CC1=C(C(=O)C(=CO1)O)O CNP0249032.0 [0,2,0,0,0,0|1,0,0]=3 581 B10R1.119 CC1=C(C(=O)C=CC1=O)C CNP0252044.0 [0,2,0,0,0,0|0,0,1]=3 582 B10R1.119 CC1=C(C(=O)C=CC1=O)O CNP0304817.0 [0,2,0,0,0,0|0,0,0]=2 583 B10R1.119 CC1=C(C(=O)C=CN1C)O CNP0409474.0 [0,2,0,0,0,0|1,0,0]=3 584 B10R1.119 CC1=C(C=CC(=C1C)O)N CNP0562106.0 [0,2,0,0,0,0|0,0,0]=2 585 B10R1.119 CC1=C(C=CC(=C1C)O)O CNP0119775.0 [0,2,0,0,0,0|0,0,0]=2 586 B10R1.119 CC1=C(C=CC(=C1O)O)O CNP0354287.0 [0,2,0,0,0,0|0,0,0]=2 587 B10R1.119 CC1=CC=C(C(=C1C)C)C CNP0376974.0 [0,2,0,0,0,0|1,0,0]=3 588 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [0,2,0,0,0,0|0,0,0]=2 589 B10R1.119 CC1=CC=C(C(=C1C)O)O CNP0352924.0 [0,2,0,0,0,0|0,0,0]=2 590 B10R1.119 CC1=CC=C(C(=C1Cl)C)S CNP0345116.0 [0,2,0,0,0,0|0,1,0]=3 591 B10R1.119 CC1=CC=C(C(=C1O)C)O CNP0142427.0 [0,2,0,0,0,0|0,0,0]=2 592 B10R1.119 CC1=CC=C(C(=C1O)O)C CNP0183636.0 [0,2,0,0,0,0|0,0,0]=2 593 B10R1.119 CC1=CN=C(C(=C1C)C)C CNP0265742.0 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.119 CC1=CN=C(N(C1=O)C)O CNP0559149.0 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)Cl CNP0445745.0 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.119 NC1=CC=C(C(=C1Br)N)Br CNP0090854.0 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.119 O=C1C=CC(=O)C(=C1O)O CNP0263917.0 [0,2,0,0,0,0|1,0,0]=3 598 B10R1.119 OC1=C(C=CC(=C1O)Cl)Cl CNP0043594.0 [0,2,0,0,0,0|1,0,0]=3 599 B10R1.119 OC1=CC=C(C(=C1Br)Br)Br CNP0133044.0 [0,2,0,0,0,0|1,0,0]=3 600 B10R1.119 OC1=CC=C(C(=C1Br)O)Br CNP0192123.0 [0,2,0,0,0,0|1,0,0]=3 601 B10R1.119 OC1=CC=C(C(=C1O)O)O CNP0189021.0 [0,2,0,0,0,0|1,0,0]=3 602 B10R1.245 CC1=CC=CC(=C1C#N)C CNP0139271.0 [0,2,0,0,0,0|1,0,0]=3 603 B10R1.245 CC1=CC=CC(=C1C=O)C CNP0561651.0 [0,2,0,0,0,0|0,0,1]=3 604 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [0,2,0,0,0,0|0,0,1]=3 605 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [0,2,0,0,0,0|0,0,0]=2 606 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [0,2,0,0,0,0|1,0,0]=3 607 B10R1.245 CNC1=C(C=CC=C1C)C CNP0282095.0 [0,2,0,0,0,0|1,0,0]=3 608 B10R1.245 COC1=C(C=CC=C1Br)Br CNP0017925.0 [0,2,0,0,0,0|1,0,0]=3 609 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [0,2,0,0,0,0|0,0,0]=2 610 B10R1.245 COC1=C(C=CC=C1Cl)Cl CNP0143389.0 [0,2,0,0,0,0|1,0,0]=3 611 B10R1.245 COC1=C(C=CC=C1O)O CNP0193285.0 [0,2,0,0,0,0|0,0,0]=2 612 B10R1.245 COC1=C(NC=CC1=O)C CNP0226695.0 [0,2,0,0,0,0|1,0,0]=3 613 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [0,2,0,0,0,0|1,0,0]=3 614 B10R1.245 N#CC1=C(C=CC=C1Cl)Cl CNP0161827.0 [0,2,0,0,0,0|1,0,1]=4 615 B10R1.301 CC1=CC=CC(C1=O)(C)C CNP0077154.0 [0,2,0,0,0,0|0,0,2]=4 616 B10R1.4 C=CCC1=CC=CC=C1C CNP0595117.0 [0,2,0,0,0,0|1,0,0]=3 617 B10R1.4 C=CCC1=CC=CC=C1O CNP0316459.0 [0,2,0,0,0,0|0,0,0]=2 618 B10R1.4 C=COC1=CC=CC=C1C CNP0434355.0 [0,2,0,0,0,0|0,0,0]=2 619 B10R1.4 CC1=CC=CC=C1CC#N CNP0033758.0 [0,2,0,0,0,0|1,0,0]=3 620 B10R1.4 CC1=CC=CC=C1NC=O CNP0055612.0 [0,2,0,0,0,0|0,0,1]=3 621 B10R1.4 CC1=CC=NC=C1C=NO CNP0030608.0 [0,2,0,0,0,0|1,0,0]=3 622 B10R1.4 CCCC1=CC=CC=C1C CNP0143289.0 [0,2,0,0,0,0|1,0,0]=3 623 B10R1.4 CCCC1=CC=CC=C1N CNP0601076.0 [0,2,0,0,0,0|1,0,0]=3 624 B10R1.4 CCCC1=CC=CC=C1O CNP0092348.0 [0,2,0,0,0,0|0,0,0]=2 625 B10R1.4 CCOC1=CC=CC=C1C CNP0253397.0 [0,2,0,0,0,0|0,0,0]=2 626 B10R1.4 CCOC1=NC=CN=C1C CNP0003338.0 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.4 CN1C=CC=CC1=CN=O CNP0450996.0 [0,2,0,0,0,0|1,0,1]=4 628 B10R1.4 CN1C=CCC=C1C=NO CNP0059123.0 [0,2,0,0,0,0|1,0,1]=4 629 B10R1.4 COCC1=CC=CC=C1N CNP0216942.0 [0,2,0,0,0,0|1,0,0]=3 630 B10R1.4 CSSC1=CC=CC=[N+]1[O-] CNP0574687.0 [0,2,0,0,0,0|1,0,1]=4 631 B10R1.4 C[N+]1=CC=CC=C1C=NO CNP0581381.0 [0,2,0,0,0,0|1,0,0]=3 632 B10R1.4 C[N+]1=CC=CC=C1C=N[O-] CNP0545972.0 [0,2,0,0,0,0|1,0,1]=4 633 B10R1.4 N#CCC1=CC=CC=C1O CNP0229755.0 [0,2,0,0,0,0|0,0,0]=2 634 B10R1.4 N#CC[N+]1=CC=CC=C1Br CNP0534465.0 [0,2,0,0,0,0|2,0,0]=4 635 B10R1.4 NC1=CC=CC=C1C=NO CNP0310844.0 [0,2,0,0,0,0|1,0,0]=3 636 B10R1.4 NCCC1=CC=CC=C1O CNP0611654.0 [0,2,0,0,0,0|0,0,0]=2 637 B10R1.4 NNC=C1C=CC=CC1=O CNP0076151.0 [0,2,0,0,0,0|0,0,2]=4 638 B10R1.4 O=CNC1=CC=CC=C1O CNP0482725.0 [0,2,0,0,0,0|0,0,1]=3 639 B10R1.4 OCCC1=CC=CC=C1O CNP0110289.0 [0,2,0,0,0,0|0,0,0]=2 640 B10R1.4 ON=CC1=CC=CC=C1Br CNP0040923.0 [0,2,0,0,0,0|1,0,0]=3 641 B10R1.4 ON=CC1=CC=CC=C1O CNP0177435.0 [0,2,0,0,0,0|0,0,1]=3 642 B10R1.4 [O-][N+]1=CC=CC=C1CCO CNP0558293.0 [0,2,0,0,0,0|1,0,1]=4 643 B10R1.20 C=CC1=CC=CC=C1OC CNP0201512.0 [0,2,0,0,0,0|0,0,1]=3 644 B10R1.20 CCC1=CC=CC=C1C=O CNP0565429.0 [0,2,0,0,0,0|0,0,1]=3 645 B10R1.20 CCC1=CC=CC=C1CC CNP0132869.0 [0,2,0,0,0,0|1,0,0]=3 646 B10R1.20 CCC1=CC=CC=C1CO CNP0418111.0 [0,2,0,0,0,0|0,0,0]=2 647 B10R1.20 CCC1=CC=CC=C1OC CNP0246064.0 [0,2,0,0,0,0|0,0,0]=2 648 B10R1.20 CCC1=NC=CN=C1OC CNP0002552.0 [0,2,0,0,0,0|2,0,0]=4 649 B10R1.20 CNC1=CC=CC=C1C=O CNP0169354.0 [0,2,0,0,0,0|0,0,1]=3 650 B10R1.20 CNC1=CC=CC=C1CO CNP0310287.0 [0,2,0,0,0,0|0,0,0]=2 651 B10R1.20 COC1=CC=CC=C1C=O CNP0183883.0 [0,2,0,0,0,0|0,0,1]=3 652 B10R1.20 COC1=CC=CC=C1CCl CNP0053789.0 [0,2,0,0,0,0|0,0,0]=2 653 B10R1.20 COC1=CC=CC=C1CN CNP0294075.0 [0,2,0,0,0,0|0,0,0]=2 654 B10R1.20 COC1=CC=CC=C1CO CNP0047350.0 [0,2,0,0,0,0|0,0,0]=2 655 B10R1.20 COC1=CC=CC=C1OC CNP0141393.0 [0,2,0,0,0,0|0,0,0]=2 656 B10R1.20 COC1=CC=NC=C1C#N CNP0112876.0 [0,2,0,0,0,0|1,0,1]=4 657 B10R1.20 N#CC1=CC=CC=C1CBr CNP0046063.0 [0,2,0,0,0,0|1,0,0]=3 658 B10R1.20 O=CC1=CC=CC=C1C=O CNP0478589.0 [0,2,0,0,0,0|0,0,2]=4 659 B10R1.20 SCC1=CC=CC=C1CS CNP0028178.0 [0,2,0,0,0,0|0,1,0]=3 660 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [0,2,0,0,0,0|1,0,0]=3 661 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [0,2,0,0,0,0|0,0,1]=3 662 B10R1.25 CC1=CC(=C(C=N1)C#N)C CNP0069171.0 [0,2,0,0,0,0|2,0,0]=4 663 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [0,2,0,0,0,0|0,0,1]=3 664 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [0,2,0,0,0,0|0,0,0]=2 665 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [0,2,0,0,0,0|1,0,0]=3 666 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [0,2,0,0,0,0|0,0,1]=3 667 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [0,2,0,0,0,0|1,0,0]=3 668 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [0,2,0,0,0,0|0,0,0]=2 669 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [0,2,0,0,0,0|1,0,1]=4 670 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [0,2,0,0,0,0|0,0,1]=3 671 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [0,2,0,0,0,0|1,0,0]=3 672 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [0,2,0,0,0,0|0,0,0]=2 673 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [0,2,0,0,0,0|0,0,0]=2 674 B10R1.25 CCC1=CN=C(N=C1O)O CNP0514605.0 [0,2,0,0,0,0|2,0,0]=4 675 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [0,2,0,0,0,0|1,0,0]=3 676 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [0,2,0,0,0,0|0,0,0]=2 677 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [0,2,0,0,0,0|0,0,0]=2 678 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [0,2,0,0,0,0|1,0,0]=3 679 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [0,2,0,0,0,0|1,0,0]=3 680 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [0,2,0,0,0,0|1,0,0]=3 681 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [0,2,0,0,0,0|0,0,0]=2 682 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [0,2,0,0,0,0|0,0,0]=2 683 B10R1.25 COC1=CC=[N+](C=C1C)[O-] CNP0606691.0 [0,2,0,0,0,0|1,0,0]=3 684 B10R1.25 COC1=NC=C(N=C1C)C CNP0234083.0 [0,2,0,0,0,0|2,0,0]=4 685 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [0,2,0,0,0,0|0,0,1]=3 686 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [0,2,0,0,0,0|0,0,1]=3 687 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [0,2,0,0,0,0|1,0,0]=3 688 B10R1.25 OCC1=CN=C(N=C1O)O CNP0334383.0 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [0,2,0,0,0,0|1,0,0]=3 690 B10R1.30 CC1=CC=C(C(=C1)C#N)C CNP0233289.0 [0,2,0,0,0,0|1,0,0]=3 691 B10R1.30 CC1=CC=C(C(=C1)C#N)Cl CNP0033668.0 [0,2,0,0,0,0|1,0,1]=4 692 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [0,2,0,0,0,0|0,0,1]=3 693 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [0,2,0,0,0,0|0,0,0]=2 694 B10R1.30 CC1=CC=[N+](C=C1C#N)[O-] CNP0495146.0 [0,2,0,0,0,0|2,0,0]=4 695 B10R1.30 CC1=CC=[N+](C=C1CO)[O-] CNP0579255.0 [0,2,0,0,0,0|1,0,0]=3 696 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [0,2,0,0,0,0|1,0,0]=3 697 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [0,2,0,0,0,0|1,0,0]=3 698 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [0,2,0,0,0,0|0,0,0]=2 699 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [0,2,0,0,0,0|0,0,0]=2 700 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [0,2,0,0,0,0|0,0,1]=3 701 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [0,2,0,0,0,0|1,0,0]=3 702 B10R1.30 CCN1C=C(C=CC1=O)Br CNP0062545.0 [0,2,0,0,0,0|1,0,1]=4 703 B10R1.30 CN1C=CC(=O)C=C1C#N CNP0198738.0 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.30 CN=C1NC(=NC=C1O)O CNP0566412.0 [0,2,0,0,0,0|2,0,0]=4 705 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [0,2,0,0,0,0|0,0,0]=2 706 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [0,2,0,0,0,0|1,0,0]=3 707 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [0,2,0,0,0,0|0,0,0]=2 708 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [0,2,0,0,0,0|0,0,0]=2 709 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [0,2,0,0,0,0|0,0,1]=3 710 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [0,2,0,0,0,0|0,0,1]=3 711 B10R1.30 COC1=NC(=CN=C1C)C CNP0001523.0 [0,2,0,0,0,0|2,0,0]=4 712 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [0,2,0,0,0,0|0,0,1]=3 713 B10R1.30 O=C1C=C(C(=CO1)O)CO CNP0349514.0 [0,2,0,0,0,0|1,0,0]=3 714 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [0,2,0,0,0,0|0,0,1]=3 715 B10R1.30 O=C1OC=C(C=C1CO)O CNP0541420.0 [0,2,0,0,0,0|1,0,1]=4 716 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [0,2,0,0,0,0|0,0,1]=3 717 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [0,2,0,0,0,0|1,0,0]=3 718 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [0,2,0,0,0,0|0,0,0]=2 719 B10R1.61 C=C(C)C1=CC=CC=C1C CNP0192226.0 [0,2,0,0,0,0|1,0,0]=3 720 B10R1.61 CC(=O)C1=CC=CC=C1C CNP0416088.0 [0,2,0,0,0,0|0,0,1]=3 721 B10R1.61 CC(=O)C1=CC=CC=C1N CNP0264435.0 [0,2,0,0,0,0|1,0,0]=3 722 B10R1.61 CC(=O)C1=CC=CC=C1O CNP0264178.0 [0,2,0,0,0,0|0,0,0]=2 723 B10R1.61 CC(=O)C1=CC=CN=C1C CNP0150212.0 [0,2,0,0,0,0|1,0,1]=4 724 B10R1.61 CC(=O)C1=CC=NC=C1C CNP0324619.0 [0,2,0,0,0,0|1,0,1]=4 725 B10R1.61 CC(=O)C1=CN=CC=C1C CNP0220710.0 [0,2,0,0,0,0|1,0,1]=4 726 B10R1.61 CC(C)C1=CC=CC=C1O CNP0332801.0 [0,2,0,0,0,0|0,0,0]=2 727 B10R1.61 CC(S)C1=CC=CC=C1S CNP0245318.0 [0,2,0,0,0,0|0,1,0]=3 728 B10R1.61 CC1=CC=CC=C1C(=O)Br CNP0054176.0 [0,2,0,0,0,0|0,0,1]=3 729 B10R1.61 CC1=CC=CC=C1C(=O)O CNP0280538.0 [0,2,0,0,0,0|0,0,0]=2 730 B10R1.61 CC1=CC=CC=C1C(C)C CNP0093801.0 [0,2,0,0,0,0|1,0,0]=3 731 B10R1.61 CC1=CC=NC=C1C(=O)N CNP0051605.0 [0,2,0,0,0,0|1,0,1]=4 732 B10R1.61 CC1=CC=NC=C1C(=O)O CNP0477834.0 [0,2,0,0,0,0|1,0,0]=3 733 B10R1.61 CC1=NC=CC=C1C(=O)O CNP0576614.0 [0,2,0,0,0,0|1,0,0]=3 734 B10R1.61 CN(C)C1=CC=CC=C1O CNP0396984.0 [0,2,0,0,0,0|0,0,0]=2 735 B10R1.61 CN1CC=CC=C1C(=O)O CNP0610846.0 [0,2,0,0,0,0|1,0,1]=4 736 B10R1.61 CN1[CH]C=CC=C1C(=O)O CNP0498568.0 [0,2,0,0,0,0|1,0,1]=4 737 B10R1.61 C[N+]1=CC=CC=C1C(=O)[O-] CNP0503158.0 [0,2,0,0,0,0|1,0,1]=4 738 B10R1.61 NC(=O)C1=CC=CC=C1I CNP0049799.0 [0,2,0,0,0,0|1,0,1]=4 739 B10R1.61 NC(=O)C1=CC=CC=C1N CNP0187494.0 [0,2,0,0,0,0|1,0,1]=4 740 B10R1.61 NC(=O)C1=CC=CC=C1O CNP0242708.0 [0,2,0,0,0,0|0,0,1]=3 741 B10R1.61 NC(=O)C1=CN=CC=C1O CNP0172133.0 [0,2,0,0,0,0|1,0,1]=4 742 B10R1.61 NC1=CC=CC=C1C(=O)O CNP0152283.0 [0,2,0,0,0,0|1,0,0]=3 743 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] CNP0571893.0 [0,2,0,0,0,0|1,0,1]=4 744 B10R1.61 O=C(O)C1=CC=CC=C1Cl CNP0083959.0 [0,2,0,0,0,0|1,0,0]=3 745 B10R1.61 O=C(O)C1=CC=CC=C1O CNP0230203.0 [0,2,0,0,0,0|0,0,1]=3 746 B10R1.61 O=C(O)C1=CC=CC=C1S CNP0516861.0 [0,2,0,0,0,0|1,0,0]=3 747 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0501707.0 [0,2,0,0,0,0|1,0,0]=3 748 B10R1.61 O=C(O)C1=CC=CC=C1[O-] CNP0520653.0 [0,2,0,0,0,0|1,0,0]=3 749 B10R1.61 O=C(O)C1=CC=CC=[N+]1[O-] CNP0602908.0 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.61 O=C(O)C1=CC=NC=C1Br CNP0504363.0 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.61 O=C(O)C1=CC=NC=C1O CNP0519260.0 [0,2,0,0,0,0|1,0,1]=4 752 B10R1.61 O=C(O)C1=CN=CC=C1O CNP0530780.0 [0,2,0,0,0,0|1,0,1]=4 753 B10R1.61 O=C(O)C1=CNC=CC1=O CNP0248624.0 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.61 O=C(O)C1=NC=CC=C1O CNP0251430.0 [0,2,0,0,0,0|1,0,1]=4 755 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0487035.0 [0,2,0,0,0,0|0,0,1]=3 756 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0509173.0 [0,2,0,0,0,0|0,0,1]=3 757 B10R1.61 O=C([O-])C1=CC=CC=C1O CNP0521943.0 [0,2,0,0,0,0|0,0,1]=3 758 B10R1.61 O=C([O-])C1=CC=CC=C1[S-] CNP0496001.0 [0,2,0,0,0,0|0,1,1]=4 759 B10R1.61 O=[N+]([O-])C1=CC=CC=C1O CNP0586492.0 [0,2,0,0,0,0|1,0,0]=3 760 B10R1.61 O=[P@@H](O)C1=CC=CC=C1O CNP0441408.1 [0,2,0,0,0,0|1,0,0]=3 761 B10R1.118 BrC1=C(C=C(C(=C1)Br)Br)Br CNP0049506.0 [0,2,0,0,0,0|2,0,0]=4 762 B10R1.118 CC1=C(C=C(C(=C1)C)C)C CNP0218764.0 [0,2,0,0,0,0|1,0,0]=3 763 B10R1.118 CC1=CC(=C(C=C1Br)C)Br CNP0024349.0 [0,2,0,0,0,0|1,0,0]=3 764 B10R1.118 CC1=CC(=C(C=C1C)N)N CNP0106845.0 [0,2,0,0,0,0|1,0,0]=3 765 B10R1.118 CC1=CC(=C(C=C1C)O)C CNP0242109.0 [0,2,0,0,0,0|0,0,0]=2 766 B10R1.118 CC1=CC(=C(C=C1Cl)C)Cl CNP0062326.0 [0,2,0,0,0,0|1,0,0]=3 767 B10R1.118 CC1=CC(=C(C=C1O)C)O CNP0533659.0 [0,2,0,0,0,0|0,0,0]=2 768 B10R1.118 CC1=CC(=C(N=C1C)C)C CNP0272756.0 [0,2,0,0,0,0|2,0,0]=4 769 B10R1.118 CC1=CC(=O)C(=CC1=O)C CNP0221747.0 [0,2,0,0,0,0|0,0,1]=3 770 B10R1.118 CC1=CC(=O)C(=CC1=O)O CNP0288982.0 [0,2,0,0,0,0|0,0,1]=3 771 B10R1.118 CC1=CN(C(=O)N=C1O)C CNP0516273.0 [0,2,0,0,0,0|2,0,0]=4 772 B10R1.118 CN1C=C(C(=N)N=C1O)O CNP0608830.0 [0,2,0,0,0,0|2,0,0]=4 773 B10R1.118 O=C1C=C(C(=O)C=C1O)O CNP0327645.0 [0,2,0,0,0,0|1,0,0]=3 774 B10R1.118 OC1=C(C=C(C(=C1)O)O)O CNP0611719.0 [0,2,0,0,0,0|1,0,0]=3 775 B10R1.118 OC1=CC(=C(C=C1Cl)O)Cl CNP0067457.0 [0,2,0,0,0,0|1,0,0]=3 776 B10R1.118 OC1=CC(=C(C=C1O)Br)Br CNP0556999.0 [0,2,0,0,0,0|1,0,0]=3 777 B10R1.118 OC1=NC(=C(C=C1Cl)Cl)Cl CNP0363725.0 [0,2,0,0,0,0|2,0,0]=4 778 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [0,2,0,0,0,0|1,0,0]=3 779 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [0,2,0,0,0,0|1,0,0]=3 780 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [0,2,0,0,0,0|1,0,0]=3 781 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [0,2,0,0,0,0|0,0,0]=2 782 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [0,2,0,0,0,0|0,0,1]=3 783 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [0,2,0,0,0,0|1,0,0]=3 784 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [0,2,0,0,0,0|1,0,0]=3 785 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [0,2,0,0,0,0|1,0,0]=3 786 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [0,2,0,0,0,0|0,0,0]=2 787 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [0,2,0,0,0,0|0,0,0]=2 788 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [0,2,0,0,0,0|1,0,0]=3 789 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [0,2,0,0,0,0|2,0,0]=4 790 B10R1.176 CN1C=C(C=CC1=O)C#N CNP0276736.0 [0,2,0,0,0,0|1,0,1]=4 791 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [0,2,0,0,0,0|1,0,0]=3 792 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [0,2,0,0,0,0|1,0,0]=3 793 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [0,2,0,0,0,0|0,0,0]=2 794 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [0,2,0,0,0,0|2,0,0]=4 795 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [0,2,0,0,0,0|1,0,0]=3 796 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [0,2,0,0,0,0|1,0,0]=3 797 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [0,2,0,0,0,0|1,0,0]=3 798 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [0,2,0,0,0,0|1,0,0]=3 799 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [0,2,0,0,0,0|1,0,0]=3 800 B10R1.176 O=C1C=C(OC=C1O)CO CNP0328434.0 [0,2,0,0,0,0|2,0,0]=4 801 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [0,2,0,0,0,0|1,0,0]=3 802 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [0,2,0,0,0,0|2,0,0]=4 803 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [0,2,0,0,0,0|1,0,0]=3 804 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [0,2,0,0,0,0|1,0,0]=3 805 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [0,2,0,0,0,0|1,0,0]=3 806 B8R1.8 C=CCC1=CC=CO1 CNP0320251.0 [0,0,1,1,0,0|0,0,2]=4 807 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,0,1,1,0,0|0,0,0]=2 808 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,0,1,1,0,0|0,0,2]=4 809 B8R1.8 COCC1=CC=CO1 CNP0352777.0 [0,0,1,1,0,0|1,0,1]=4 810 B8R1.8 CSCC1=CC=CO1 CNP0210832.0 [0,0,1,1,0,0|1,0,1]=4 811 B8R1.8 O=CCC1=CC=CO1 CNP0576959.0 [0,0,1,1,0,0|1,0,1]=4 812 B8R1.8 ON=CC1=CC=CN1 CNP0104313.0 [0,0,1,1,0,0|2,0,0]=4 813 B8R1.8 ON=CC1=CC=CS1 CNP0079213.0 [0,0,1,1,0,0|2,0,0]=4 814 B8R1.22 O=C1C=CC=CC=C1 CNP0609083.0 [0,0,1,1,0,0|0,0,2]=4 815 B8R1.49 C1=CC=CC=CC=C1 CNP0580614.0 [0,0,1,1,0,0|1,0,1]=4 816 B8R1.49 C1=CCC=CCC=C1 CNP0540029.0 [0,0,1,1,0,0|1,0,1]=4 817 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,0,1,1,0,0|1,0,1]=4 818 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,0,1,1,0,0|1,0,0]=3 819 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,0,1,1,0,0|0,0,2]=4 820 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,0,1,1,0,0|1,0,1]=4 821 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [0,0,1,1,0,0|2,0,0]=4 822 B8R1.7 CC(=C1C=CC=C1)C CNP0510887.0 [0,0,1,1,0,0|1,0,1]=4 823 B8R1.7 CC(=O)C1=CC=CN1 CNP0200282.0 [0,0,1,1,0,0|2,0,0]=4 824 B8R1.7 CC(=O)C1=CC=CO1 CNP0350272.0 [0,0,1,1,0,0|1,0,0]=3 825 B8R1.7 CC(=O)C1=CC=CS1 CNP0328607.0 [0,0,1,1,0,0|1,1,0]=4 826 B8R1.7 CC(=O)C1=NC=CO1 CNP0002710.0 [0,0,1,1,0,0|2,0,0]=4 827 B8R1.7 CC(C)C1=CC=CO1 CNP0319919.0 [0,0,1,1,0,0|0,0,2]=4 828 B8R1.7 CC(O)C1=CC=CO1 CNP0421357.0 [0,0,1,1,0,0|1,0,1]=4 829 B8R1.7 CC(S)C1=CC=CO1 CNP0002637.0 [0,0,1,1,0,0|1,0,1]=4 830 B8R1.7 NC(=O)C1=CC=CO1 CNP0268469.0 [0,0,1,1,0,0|2,0,0]=4 831 B8R1.7 O=C(O)C1=CC=CN1 CNP0331002.0 [0,0,1,1,0,0|2,0,0]=4 832 B8R1.7 O=C(O)C1=CC=CO1 CNP0264313.0 [0,0,1,1,0,0|2,0,0]=4 833 B8R2.25 C1=CC2OC2C=C1 CNP0472206.0 [1,0,0,1,0,0|0,0,2]=4 834 B8R2.25 C1=CC=C2CC2=C1 CNP0076757.0 [1,0,0,1,0,0|0,0,0]=2 835 B10R2.7 B1OC2=CC=CC=C2O1 CNP0578277.0 [0,1,0,1,0,0|1,0,0]=3 836 B10R2.7 C1=CC2=C(C=N1)CCC2 CNP0185623.0 [0,1,0,1,0,0|2,0,0]=4 837 B10R2.7 C1=CC2=CC=CC=C2C1 CNP0274708.0 [0,1,0,1,0,0|1,0,0]=3 838 B10R2.7 C1=CC2=CC=CC=C2[N]1 CNP0479391.0 [0,1,0,1,0,0|1,0,1]=4 839 B10R2.7 C1=CC2=COC=C2C=C1 CNP0531832.0 [0,1,0,1,0,0|0,0,1]=3 840 B10R2.7 C1=CC2=CON=C2C=C1 CNP0552561.0 [0,1,0,1,0,0|0,0,1]=3 841 B10R2.7 C1=CC2=CSC=C2C=C1 CNP0596171.0 [0,1,0,1,0,0|0,1,1]=4 842 B10R2.7 C1=CC2=NC=CC=C2C1 CNP0512703.0 [0,1,0,1,0,0|2,0,0]=4 843 B10R2.7 C1=CC=C2CCCC2=C1 CNP0252618.0 [0,1,0,1,0,0|1,0,0]=3 844 B10R2.7 C1=CC=C2COCC2=C1 CNP0243831.0 [0,1,0,1,0,0|0,0,0]=2 845 B10R2.7 C1=CC=C2NC=CC2=C1 CNP0118430.0 [0,1,0,1,0,0|1,0,1]=4 846 B10R2.7 C1=CC=C2NC=NC2=C1 CNP0449067.0 [0,1,0,1,0,0|1,0,1]=4 847 B10R2.7 C1=CC=C2NCCC2=C1 CNP0077169.0 [0,1,0,1,0,0|1,0,0]=3 848 B10R2.7 C1=CC=C2NN=CC2=C1 CNP0438721.0 [0,1,0,1,0,0|1,0,1]=4 849 B10R2.7 C1=CC=C2OC=CC2=C1 CNP0281508.0 [0,1,0,1,0,0|0,0,1]=3 850 B10R2.7 C1=CC=C2OC=NC2=C1 CNP0417737.0 [0,1,0,1,0,0|0,0,1]=3 851 B10R2.7 C1=CC=C2OCCC2=C1 CNP0256577.0 [0,1,0,1,0,0|0,0,0]=2 852 B10R2.7 C1=CC=C2OCOC2=C1 CNP0530999.0 [0,1,0,1,0,0|0,0,0]=2 853 B10R2.7 C1=CC=C2SC=CC2=C1 CNP0172612.0 [0,1,0,1,0,0|0,1,1]=4 854 B10R2.7 C1=CC=C2SC=NC2=C1 CNP0300295.0 [0,1,0,1,0,0|0,1,1]=4 855 B10R2.7 C1=CC=C2SCSC2=C1 CNP0075064.0 [0,1,0,1,0,0|0,1,0]=3 856 B10R2.7 C1=CC=C2SN=CC2=C1 CNP0551467.0 [0,1,0,1,0,0|0,1,1]=4 857 B10R2.7 C1=CN=C2CCCC2=C1 CNP0189817.0 [0,1,0,1,0,0|2,0,0]=4 858 B10R2.7 C1=NC2=CC=CC=C2C1 CNP0265847.0 [0,1,0,1,0,0|1,0,0]=3 859 B10R2.320 C[C@@H]1CC2=CC=CC=C12 CNP0061060.1 [0,1,0,1,0,0|1,0,0]=3 860 B10R2.320 C[C@H]1CC2=CC=CC=C12 CNP0061060.2 [0,1,0,1,0,0|1,0,0]=3 861 B10R2.320 Cl[C@@H]1CC2=CC=CC=C12 CNP0059667.1 [0,1,0,1,0,0|1,0,0]=3 862 B10R2.320 Cl[C@H]1CC2=CC=CC=C12 CNP0059667.2 [0,1,0,1,0,0|1,0,0]=3 863 B10R2.320 N[C@@H]1CC2=CC=CC=C12 CNP0460995.2 [0,1,0,1,0,0|1,0,0]=3 864 B10R2.320 N[C@H]1CC2=CC=CC=C12 CNP0460995.1 [0,1,0,1,0,0|1,0,0]=3 865 B10R2.320 O=C1CC2=CC=CC=C12 CNP0099578.0 [0,1,0,1,0,0|0,0,1]=3 866 B10R2.320 O[C@@H]1CC2=CC=CC=C12 CNP0043883.1 [0,1,0,1,0,0|0,0,0]=2 867 B10R2.320 O[C@H]1CC2=CC=CC=C12 CNP0043883.2 [0,1,0,1,0,0|0,0,0]=2 868 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,1,0|1,0,1]=4 869 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,1,0|1,0,0]=3 870 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,1,0|1,0,0]=3 871 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,1,0|1,0,0]=3 872 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,0,1,0|2,0,0]=4 873 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,1,0|2,0,0]=4 874 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,1,0|1,0,0]=3 875 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,0,1,0|2,0,0]=4 876 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,0,1,0|2,0,0]=4 877 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,1,0|1,0,0]=3 878 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,1,0|1,0,0]=3 879 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,0,1,0|2,0,0]=4 880 B6R1.2 CC1=NC=CS1 CNP0611676.0 [1,0,0,0,1,0|2,0,0]=4 881 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,1,0|1,0,0]=3 882 B6R1.2 CN1C=CN=C1 CNP0492624.0 [1,0,0,0,1,0|2,0,0]=4 883 B6R1.2 NN1C=CC=C1 CNP0148646.0 [1,0,0,0,1,0|2,0,0]=4 884 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,1,0|1,0,0]=3 885 B6R1.2 OC1=CON=C1 CNP0302207.0 [1,0,0,0,1,0|2,0,0]=4 886 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,1,0|1,1,0]=4 887 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,1,0|1,1,0]=4 888 B10R1.77 CC1=CC=CC=CC(=O)O1 CNP0427584.0 [0,0,0,0,0,2|0,0,1]=3