0 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.3 C=C1C=COC(=C1O)C CNP0335368.0 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,0,0,0,0,0|2,0,2]=4 6 B9R1.3 CC1=C(C=CC=C1Br)O CNP0597127.0 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.3 CC1=C(C=CC=C1Cl)N CNP0102945.0 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.3 CC1=C(C=CC=C1N)N CNP0199822.0 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.3 CC1=C(C=CC=C1O)O CNP0572969.0 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.3 CC1=C(C=COC1=O)O CNP0206261.0 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.3 CC1=C(OC=CC1=O)O CNP0163753.0 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,0,0,0,0,0|0,0,0]=0 18 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [0,0,0,0,0,0|0,1,0]=1 20 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [0,0,0,0,0,0|1,0,1]=2 21 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.3 CC1=CN=CC(=C1C)C CNP0297347.0 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.3 NC1=C(C=CC=C1Cl)Cl CNP0029750.0 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.3 NC1=CC=CC(=C1Cl)Cl CNP0079961.0 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.3 O=C1C(=COC=C1O)O CNP0150760.0 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.3 O=C1C=CC=C(C1=O)O CNP0358701.0 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.3 OC1=C(C=CC=C1Br)Br CNP0310547.0 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.3 OC1=C(C=CC=C1Cl)Cl CNP0231789.0 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.3 OC1=CC=CC(=C1Br)Br CNP0592928.0 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.3 OC1=CC=CC(=C1Cl)Cl CNP0060336.0 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.3 OC1=CC=CC(=C1O)O CNP0308187.0 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.3 OC1C=CC=C(C1O)Br CNP0118456.0 [0,0,0,0,0,0|2,0,2]=4 34 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [1,0,0,0,0,0|0,0,0]=1 40 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [1,0,0,0,0,0|1,0,0]=2 41 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [1,0,0,0,0,0|1,0,0]=2 43 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [1,0,0,0,0,0|1,0,0]=2 45 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [1,0,0,0,0,0|0,0,2]=3 53 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [1,0,0,0,0,0|1,0,1]=3 65 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [1,0,0,0,0,0|1,0,2]=4 66 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [1,0,0,0,0,0|1,0,0]=2 67 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [1,0,0,0,0,0|1,0,0]=2 68 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [1,0,0,0,0,0|0,0,0]=1 71 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [1,0,0,0,0,0|0,1,0]=2 72 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [1,0,0,0,0,0|1,0,1]=3 74 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.5 CC1=CN=CC=[N+]1[O-] CNP0547202.0 [1,0,0,0,0,0|2,0,1]=4 80 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [1,0,0,0,0,0|1,0,0]=2 81 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.5 N=C1C=CNC=C1N CNP0546227.0 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [1,0,0,0,0,0|1,0,0]=2 87 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [1,0,0,0,0,0|1,1,0]=3 88 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [1,0,0,0,0,0|1,0,1]=3 91 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [1,0,0,0,0,0|1,0,1]=3 92 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [1,0,0,0,0,0|1,0,0]=2 97 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [1,0,0,0,0,0|1,0,0]=2 98 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [1,0,0,0,0,0|1,0,0]=2 99 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [1,0,0,0,0,0|1,0,0]=2 104 B8R1.5 O[C@@H]1C=CC=C[C@@H]1O CNP0314922.2 [1,0,0,0,0,0|1,0,2]=4 105 B8R1.5 O[C@@H]1C=CC=C[C@H]1O CNP0314922.1 [1,0,0,0,0,0|1,0,2]=4 106 B8R1.5 O[C@H]1C=CC=C[C@@H]1O CNP0314922.3 [1,0,0,0,0,0|1,0,2]=4 107 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [1,0,0,0,0,0|1,0,0]=2 108 B8R1.5 [O-]N1C=CC=CC1=S CNP0491195.0 [1,0,0,0,0,0|2,0,1]=4 109 B8R1.5 [O-]N1C=CC=CC1=S CNP0532331.0 [1,0,0,0,0,0|2,0,1]=4 110 B8R1.5 [O-][N+]1=CC=CC=C1S CNP0592307.0 [1,0,0,0,0,0|2,0,1]=4 111 B10R1.2 C#[N+]C1=CC=CC(=C1O)N CNP0440267.0 [0,1,0,0,0,0|1,0,1]=3 112 B10R1.2 CC1=CC=CC(=C1C)C#N CNP0139053.0 [0,1,0,0,0,0|1,0,1]=3 113 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [0,1,0,0,0,0|1,0,1]=3 114 B10R1.2 CCC1=C(C(=O)C=CO1)O CNP0197022.0 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [0,1,0,0,0,0|0,0,0]=1 117 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.2 CN1C=CC=C(C1=O)C#N CNP0276733.0 [0,1,0,0,0,0|1,0,2]=4 119 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [0,1,0,0,0,0|1,0,0]=2 120 B10R1.2 COC1=CC=CC(=C1N)C CNP0448107.0 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.2 COC1=CC=CC(=O)C1=O CNP0358042.0 [0,1,0,0,0,0|1,0,1]=3 124 B10R1.2 COC1=COC=C(C1=O)O CNP0275843.0 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.2 O=C1C=COC(=C1O)CO CNP0298786.0 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.2 O=CC1=CC=CC(=C1O)O CNP0104242.0 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [0,1,0,0,0,0|1,0,0]=2 128 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.22 CC1=C(C(=O)NC(=O)N1)O CNP0368070.0 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.22 CC1=C(C=C(C=C1Cl)S)Cl CNP0108382.0 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.22 CC1=C(C=C(C=C1O)O)O CNP0270802.0 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Cl CNP0179139.0 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.22 CC1=CC(=C(C(=C1)Br)N)Cl CNP0063027.0 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.22 CC1=CC(=C(C(=C1)Br)N)N CNP0039347.0 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.22 CC1=CC(=C(C(=C1)Br)O)Br CNP0242146.0 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CNP0375454.0 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.22 CC1=CC(=C(C(=C1)C)N)C CNP0072418.0 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.22 CC1=CC(=C(C(=C1)C)O)C CNP0321032.0 [0,1,0,0,0,0|0,0,0]=1 139 B10R1.22 CC1=CC(=C(C(=C1)Cl)Br)Cl CNP0296853.0 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.22 CC1=CC(=C(C(=C1)Cl)N)N CNP0097451.0 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.22 CC1=CC(=C(C(=C1)N)C)C CNP0027884.0 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.22 CC1=CC(=C(C(=C1)O)C)C CNP0281157.0 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.22 CC1=CC(=C(C(=C1)O)C)O CNP0156178.0 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.22 CC1=CC(=C(C(=C1)O)Cl)O CNP0171455.0 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.22 CC1=CC(=C(C(=C1)O)O)C CNP0386654.0 [0,1,0,0,0,0|1,0,0]=2 146 B10R1.22 CC1=CC(=C(C(=C1)O)O)O CNP0266425.0 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.22 CC1=CC(=C(C(=N1)C)C)C CNP0182494.0 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.22 CC1=CC(=CC(=C1C)C)N CNP0214882.0 [0,1,0,0,0,0|1,0,0]=2 149 B10R1.22 CC1=CC(=CC(=C1C)C)O CNP0208232.0 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.22 CC1=CC(=CC(=C1C)O)O CNP0138651.0 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.22 CC1=CC(=CC(=C1Cl)C)O CNP0229378.0 [0,1,0,0,0,0|1,0,0]=2 152 B10R1.22 CC1=CC(=CC(=C1Cl)O)O CNP0283107.0 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.22 CC1=CC(=CC(=C1N)C)I CNP0086270.0 [0,1,0,0,0,0|1,0,0]=2 154 B10R1.22 CC1=CC(=CC(=C1O)C)O CNP0107250.0 [0,1,0,0,0,0|0,0,0]=1 155 B10R1.22 CC1=CC(=CC(=C1O)O)O CNP0249116.0 [0,1,0,0,0,0|1,0,0]=2 156 B10R1.22 CC1=CC(=CC(=[N+]1[O-])C)Cl CNP0584434.0 [0,1,0,0,0,0|1,0,1]=3 157 B10R1.22 CC1=CC(=NC(=C1N)Cl)Cl CNP0023634.0 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.22 CC1=CC(=O)C=C(C1=O)C CNP0081563.0 [0,1,0,0,0,0|0,0,1]=2 159 B10R1.22 CC1=CC(=O)C=C(C1=O)O CNP0106705.0 [0,1,0,0,0,0|1,0,1]=3 160 B10R1.22 CC1=CC(=[N+](C(=C1)C)[O-])C CNP0516353.0 [0,1,0,0,0,0|1,0,1]=3 161 B10R1.22 CN1C=C(C=C(C1=O)Br)Br CNP0224301.0 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.22 NC1=C(C=C(C=C1Br)Br)Br CNP0057961.0 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.22 NC1=C(C=C(C=C1Cl)Cl)Cl CNP0036320.0 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.22 NC1=CC(=C(C(=C1)O)O)N CNP0223457.0 [0,1,0,0,0,0|2,0,0]=3 165 B10R1.22 NC1=CC(=O)C=C(C1=O)O CNP0072657.0 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.22 O=C1C=C(C(=O)C(=C1)Br)Br CNP0157909.0 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.22 O=C1C=C(C(=O)C(=C1)O)O CNP0322998.0 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.22 OC1=C(C=C(C=C1Br)Br)Br CNP0415243.0 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.22 OC1=C(C=C(C=C1Br)Br)Cl CNP0017890.0 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Br CNP0371629.0 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Cl CNP0322036.0 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.22 OC1=C(C=C(C=C1Cl)I)Cl CNP0173173.0 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.22 OC1=CC(=C(C(=C1)Br)Br)O CNP0224842.0 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.22 OC1=CC(=C(C(=C1)Br)O)Br CNP0113606.0 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.22 OC1=CC(=C(C(=C1)Cl)O)Cl CNP0083796.0 [0,1,0,0,0,0|2,0,0]=3 176 B10R1.22 OC1=CC(=C(C(=C1)I)O)I CNP0313558.0 [0,1,0,0,0,0|2,0,0]=3 177 B10R1.22 OC1=CC(=C(C(=C1)O)Br)O CNP0173865.0 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.22 OC1=CC(=C(C(=C1)O)Cl)O CNP0254438.0 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.22 OC1=CC(=C(C(=C1)O)I)O CNP0053849.0 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.22 OC1=CC(=C(C(=C1)O)O)O CNP0134222.0 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.22 OC1=CC(=CC(=C1O)Br)Br CNP0081702.0 [0,1,0,0,0,0|2,0,0]=3 182 B10R1.22 OC1=CC(=CC(=C1O)Cl)Cl CNP0598413.0 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.119 CC1=C(C(=O)C(=CO1)C)O CNP0126465.0 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.119 CC1=C(C(=O)C(=CO1)O)O CNP0249032.0 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.119 CC1=C(C(=O)C=CC1=O)C CNP0252044.0 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.119 CC1=C(C(=O)C=CC1=O)O CNP0304817.0 [0,1,0,0,0,0|1,0,0]=2 187 B10R1.119 CC1=C(C(=O)C=CN1C)O CNP0409474.0 [0,1,0,0,0,0|2,0,0]=3 188 B10R1.119 CC1=C(C=CC(=C1C)O)N CNP0562106.0 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.119 CC1=C(C=CC(=C1C)O)O CNP0119775.0 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.119 CC1=C(C=CC(=C1O)O)O CNP0354287.0 [0,1,0,0,0,0|1,0,0]=2 191 B10R1.119 CC1=CC=C(C(=C1C)C)C CNP0376974.0 [0,1,0,0,0,0|1,0,0]=2 192 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [0,1,0,0,0,0|0,0,0]=1 193 B10R1.119 CC1=CC=C(C(=C1C)O)O CNP0352924.0 [0,1,0,0,0,0|1,0,0]=2 194 B10R1.119 CC1=CC=C(C(=C1Cl)C)S CNP0345116.0 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.119 CC1=CC=C(C(=C1O)C)O CNP0142427.0 [0,1,0,0,0,0|0,0,0]=1 196 B10R1.119 CC1=CC=C(C(=C1O)O)C CNP0183636.0 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.119 CC1=CN=C(C(=C1C)C)C CNP0265742.0 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.119 CC1=CN=C(N(C1=O)C)O CNP0559149.0 [0,1,0,0,0,0|2,0,1]=4 199 B10R1.119 CN1C=CC(=O)N(C1=O)C CNP0168374.0 [0,1,0,0,0,0|2,0,1]=4 200 B10R1.119 ClC1=CC=C(C(=C1Cl)Cl)Cl CNP0445745.0 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.119 NC1=CC=C(C(=C1Br)N)Br CNP0090854.0 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.119 O=C1C=CC(=O)C(=C1O)O CNP0263917.0 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.119 OC1=C(C=CC(=C1O)Cl)Cl CNP0043594.0 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.119 OC1=CC=C(C(=C1Br)Br)Br CNP0133044.0 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.119 OC1=CC=C(C(=C1Br)O)Br CNP0192123.0 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.119 OC1=CC=C(C(=C1O)O)O CNP0189021.0 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.245 CC1=CC=CC(=C1C#N)C CNP0139271.0 [0,1,0,0,0,0|1,0,0]=2 208 B10R1.245 CC1=CC=CC(=C1C=O)C CNP0561651.0 [0,1,0,0,0,0|0,0,1]=2 209 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [0,1,0,0,0,0|1,0,1]=3 210 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [0,1,0,0,0,0|1,0,0]=2 211 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [0,1,0,0,0,0|1,0,0]=2 212 B10R1.245 CNC1=C(C=CC=C1C)C CNP0282095.0 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.245 COC1=C(C=CC=C1Br)Br CNP0017925.0 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [0,1,0,0,0,0|0,0,0]=1 215 B10R1.245 COC1=C(C=CC=C1Cl)Cl CNP0143389.0 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.245 COC1=C(C=CC=C1O)O CNP0193285.0 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.245 COC1=C(NC=CC1=O)C CNP0226695.0 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.245 N#CC1=C(C=CC=C1Cl)Cl CNP0161827.0 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.301 CC1=C(C(CC=C1)(C)C)C CNP0583800.0 [0,1,0,0,0,0|1,0,2]=4 221 B10R1.301 CC1=CC=CC(C1=O)(C)C CNP0077154.0 [0,1,0,0,0,0|0,0,2]=3 222 B10R1.301 CC1=CC=CC([C@@H]1C)(C)C CNP0290404.1 [0,1,0,0,0,0|1,0,2]=4 223 B8R0.2 C=CC(=C(O)C(=O)O)Cl CNP0377725.0 [0,0,1,0,0,0|3,0,0]=4 224 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [0,0,1,0,0,0|1,0,1]=3 225 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,0,1,0,0,0|3,0,0]=4 226 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [0,0,0,0,1,0|1,0,2]=4 227 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,0,0,0,1,0|1,0,2]=4 228 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,0,0,0,1,0|2,0,1]=4 229 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,0,0,0,1,0|2,0,1]=4 230 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,0,0,0,1,0|1,0,1]=3 231 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,0,0,0,1,0|0,0,3]=4 232 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,0,0,0,1,0|0,0,3]=4 233 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [0,0,0,0,1,0|2,0,0]=3 234 B8R1.50 OC1=COC(=C1O)O CNP0555359.0 [0,0,0,0,1,0|3,0,0]=4 235 B10R1.275 O=C1C(=CC=CC=C1O)O CNP0390803.0 [0,0,0,0,0,1|2,0,1]=4 236 B10R1.275 O=C1C=CC=CC(=C1O)O CNP0516954.0 [0,0,0,0,0,1|2,0,0]=3 237 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [1,0,1,0,0,0|2,0,0]=4 238 B7R0.5 CC(=O)C(=CC=O)C CNP0268204.0 [1,0,1,0,0,0|1,0,1]=4 239 B7R0.10 CC=C(C)C(=CC)C CNP0611340.0 [1,0,1,0,0,0|1,0,1]=4 240 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [1,0,1,0,0,0|1,0,0]=3 241 B7R0.3 C=CC=CC(C)C=C CNP0076743.0 [1,0,1,0,0,0|1,0,1]=4 242 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [1,0,1,0,0,0|0,0,2]=4 243 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [1,0,1,0,0,0|1,0,0]=3 244 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,1,0,0,0|1,0,1]=4 245 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,1,0,0,0|1,0,1]=4 246 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|1,0,0]=3 247 B7R0.1 CC=CCC=CCO CNP0168622.0 [1,0,1,0,0,0|0,0,2]=4 248 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,0,1,0,0,0|0,0,2]=4 249 B7R0.1 CCC=CC=CCO CNP0332799.0 [1,0,1,0,0,0|0,0,2]=4 250 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,0,1,0,0,0|0,0,2]=4 251 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [1,0,1,0,0,0|1,0,1]=4 252 B7R0.1 O=CC=CC=CCO CNP0296757.0 [1,0,1,0,0,0|1,0,1]=4 253 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [1,0,1,0,0,0|0,0,0]=2 254 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [1,0,1,0,0,0|0,0,2]=4 255 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,0,1,0,0,0|0,0,1]=3 256 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [1,0,1,0,0,0|1,0,0]=3 257 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [2,0,0,0,0,0|1,0,0]=3 258 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [2,0,0,0,0,0|0,0,2]=4 259 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|0,0,0]=2 260 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|1,0,0]=3 261 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [2,0,0,0,0,0|0,0,2]=4 262 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|1,0,0]=3 263 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [2,0,0,0,0,0|1,0,0]=3 264 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [2,0,0,0,0,0|2,0,0]=4 265 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [2,0,0,0,0,0|0,0,2]=4 266 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [2,0,0,0,0,0|2,0,0]=4 267 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [2,0,0,0,0,0|1,0,1]=4 268 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [2,0,0,0,0,0|1,0,1]=4 269 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [2,0,0,0,0,0|1,0,0]=3 270 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [2,0,0,0,0,0|2,0,0]=4 271 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [2,0,0,0,0,0|1,0,0]=3 272 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [2,0,0,0,0,0|1,0,0]=3 273 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [2,0,0,0,0,0|2,0,0]=4 274 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [2,0,0,0,0,0|2,0,0]=4 275 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [2,0,0,0,0,0|1,0,0]=3 276 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|2,0,0]=4 277 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [2,0,0,0,0,0|2,0,0]=4 278 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [2,0,0,0,0,0|2,0,0]=4 279 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [2,0,0,0,0,0|2,0,0]=4 280 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [2,0,0,0,0,0|0,0,2]=4 281 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [2,0,0,0,0,0|1,0,1]=4 282 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [2,0,0,0,0,0|1,0,1]=4 283 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [2,0,0,0,0,0|1,0,1]=4 284 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [2,0,0,0,0,0|1,0,1]=4 285 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [2,0,0,0,0,0|0,0,0]=2 286 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|1,0,0]=3 287 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [2,0,0,0,0,0|1,0,0]=3 288 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [2,0,0,0,0,0|1,0,0]=3 289 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [2,0,0,0,0,0|0,1,0]=3 290 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|1,1,0]=4 291 B9R0.8 CC=CC=C(C)C(=CC)C CNP0284746.0 [0,1,1,0,0,0|1,0,0]=3 292 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [0,1,1,0,0,0|1,0,0]=3 293 B9R0.1 C=CC(=CC=CC(C)C)C CNP0086413.0 [0,1,1,0,0,0|1,0,1]=4 294 B9R0.1 C=CC(=CCC=C(C)C)C CNP0295010.0 [0,1,1,0,0,0|1,0,1]=4 295 B9R0.1 C=C[C@@H](C)/C=C\C=C(C)C CNP0312376.1 [0,1,1,0,0,0|1,0,1]=4 296 B9R0.1 CC(=O)C=CC=C(C)CO CNP0040353.0 [0,1,1,0,0,0|0,0,1]=3 297 B9R0.1 CC=C(C)C=CC=C(C)C CNP0248120.0 [0,1,1,0,0,0|1,0,0]=3 298 B9R0.5 C=COC(=O)C=CC=CC CNP0588574.0 [0,1,1,0,0,0|2,0,0]=4 299 B9R0.34 CC=CC(=CC(=CC)C)C CNP0404267.0 [0,1,1,0,0,0|1,0,0]=3 300 B9R0.34 CCC=C(C)C=C(C)CO CNP0110428.0 [0,1,1,0,0,0|0,0,2]=4 301 B9R0.47 NC(=CC=CC=O)C(=O)O CNP0152302.0 [0,1,1,0,0,0|2,0,0]=4 302 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [1,1,0,0,0,0|0,0,1]=3 303 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,1,0,0,0,0|0,0,1]=3 304 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,1,0,0,0,0|0,0,0]=2 305 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [1,1,0,0,0,0|1,0,1]=4 306 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.2 CC1=CC=NC(=C1)C#N CNP0068473.0 [1,1,0,0,0,0|1,0,1]=4 308 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,1,0,0,0,0|1,0,0]=3 310 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,1,0,0,0,0|0,0,0]=2 311 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [1,1,0,0,0,0|1,0,0]=3 313 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [1,1,0,0,0,0|1,0,0]=3 315 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [1,1,0,0,0,0|1,0,0]=3 316 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,1,0,0,0,0|0,0,0]=2 319 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,1,0,0,0,0|1,0,0]=3 320 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,1,0,0,0,0|1,0,0]=3 321 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,1,0,0,0,0|1,0,0]=3 322 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.2 C[N+]1=CC=CC(=C1)C#N CNP0552740.0 [1,1,0,0,0,0|1,0,1]=4 325 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [1,1,0,0,0,0|1,0,1]=4 326 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [1,1,0,0,0,0|1,0,1]=4 327 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,1,0,0,0,0|1,0,0]=3 328 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,1,0,0,0,0|1,0,1]=4 329 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,1,0,0,0,0|1,0,1]=4 330 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,1,0,0,0,0|1,0,0]=3 331 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,1,0,0,0,0|1,0,0]=3 332 B9R1.34 CC1=CC(=CC(=C1)Br)C CNP0313661.0 [1,1,0,0,0,0|0,0,0]=2 333 B9R1.34 CC1=CC(=CC(=C1)Br)N CNP0191453.0 [1,1,0,0,0,0|1,0,0]=3 334 B9R1.34 CC1=CC(=CC(=C1)C)C CNP0226551.0 [1,1,0,0,0,0|0,0,0]=2 335 B9R1.34 CC1=CC(=CC(=C1)Cl)Cl CNP0135847.0 [1,1,0,0,0,0|1,0,0]=3 336 B9R1.34 CC1=CC(=CC(=C1)I)C CNP0302224.0 [1,1,0,0,0,0|0,0,0]=2 337 B9R1.34 CC1=CC(=CC(=C1)N)C CNP0206372.0 [1,1,0,0,0,0|0,0,0]=2 338 B9R1.34 CC1=CC(=CC(=C1)O)C CNP0206447.0 [1,1,0,0,0,0|0,0,0]=2 339 B9R1.34 CC1=CC(=CC(=C1)O)O CNP0300146.0 [1,1,0,0,0,0|1,0,0]=3 340 B9R1.34 CC1=CC(=CC(=C1)S)C CNP0440794.0 [1,1,0,0,0,0|0,0,0]=2 341 B9R1.34 CC1=CC(=CC(=O)O1)O CNP0150285.0 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.34 CC1=CC(=NC(=C1)C)C CNP0261026.0 [1,1,0,0,0,0|1,0,0]=3 343 B9R1.34 CC1=CC(=NC(=C1)O)O CNP0028519.0 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.34 CC1=CC(=NC(=N1)Cl)C CNP0067917.0 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.34 CC1=CC(=NC(=N1)N)C CNP0449380.0 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.34 CC1=CC(=O)C=C(O1)O CNP0580633.0 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [1,1,0,0,0,0|1,0,0]=3 348 B9R1.34 CC1=CC(=S)C=C(O1)C CNP0070174.0 [1,1,0,0,0,0|1,0,0]=3 349 B9R1.34 ClC1=CC(=CC(=C1)Cl)Cl CNP0491812.0 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.34 NC1=CC(=CC(=C1)N)N CNP0518662.0 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.34 OC1=CC(=CC(=C1)Cl)Cl CNP0017796.0 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.34 OC1=CC(=CC(=C1)O)O CNP0299558.0 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [1,1,0,0,0,0|1,0,0]=3 354 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [1,1,0,0,0,0|1,0,0]=3 355 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [1,1,0,0,0,0|1,0,0]=3 357 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [1,1,0,0,0,0|1,0,0]=3 358 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [1,1,0,0,0,0|1,0,0]=3 360 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [1,1,0,0,0,0|1,0,0]=3 361 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [1,1,0,0,0,0|1,0,0]=3 363 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [1,1,0,0,0,0|1,0,0]=3 365 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [1,1,0,0,0,0|1,0,0]=3 366 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [1,1,0,0,0,0|0,0,0]=2 368 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [1,1,0,0,0,0|0,0,0]=2 369 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [1,1,0,0,0,0|0,0,0]=2 370 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [1,1,0,0,0,0|0,0,0]=2 371 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [1,1,0,0,0,0|0,0,0]=2 372 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [1,1,0,0,0,0|1,0,0]=3 373 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [1,1,0,0,0,0|1,0,0]=3 374 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [1,1,0,0,0,0|1,0,0]=3 376 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [1,1,0,0,0,0|1,0,0]=3 378 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [1,1,0,0,0,0|1,0,0]=3 379 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [1,1,0,0,0,0|1,0,0]=3 380 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [1,1,0,0,0,0|1,0,0]=3 381 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [1,1,0,0,0,0|1,0,0]=3 384 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [1,1,0,0,0,0|1,0,0]=3 389 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [1,1,0,0,0,0|1,0,0]=3 390 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [1,1,0,0,0,0|1,0,0]=3 391 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [1,1,0,0,0,0|1,0,0]=3 392 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [1,1,0,0,0,0|1,0,0]=3 396 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.69 C[N+]1=CC(=CC=C1N)I CNP0606794.0 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.69 ClC1=CC=C(C(=C1)Cl)Cl CNP0206286.0 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.69 NC1=CC(=CC=C1Cl)Cl CNP0040093.0 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.69 NC1=CC(=CC=C1S)Cl CNP0458275.0 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.69 NC1=CC=C(C(=C1)N)N CNP0131312.0 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.69 NC1=CC=C(C=C1Br)Br CNP0063783.0 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.69 NC1=CC=C(C=C1Cl)Cl CNP0048955.0 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,1,0,0,0,0|1,0,0]=3 417 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,1,0,0,0,0|0,0,1]=3 418 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [1,1,0,0,0,0|1,0,0]=3 419 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,1,0,0,0,0|0,0,1]=3 420 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,1,0,0,0,0|1,0,0]=3 421 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,1,0,0,0,0|0,0,0]=2 422 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,1,0,0,0,0|0,0,1]=3 423 B9R1.15 CC1=CC=CN=C1N=O CNP0071253.0 [1,1,0,0,0,0|1,0,1]=4 424 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [1,1,0,0,0,0|1,0,0]=3 425 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,1,0,0,0,0|1,0,0]=3 427 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,1,0,0,0,0|1,0,0]=3 428 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,1,0,0,0,0|0,0,0]=2 429 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,1,0,0,0,0|0,1,0]=3 430 B9R1.15 CCC1=CN=CC=C1C CNP0308912.0 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.15 CC[N+]1=CC=CC=C1C CNP0536214.0 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,1,0,0,0,0|0,0,0]=2 434 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,1,0,0,0,0|0,0,0]=2 436 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [1,1,0,0,0,0|0,0,2]=4 437 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [1,1,0,0,0,0|1,0,0]=3 438 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [1,1,0,0,0,0|1,0,1]=4 439 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [1,1,0,0,0,0|1,0,1]=4 440 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,1,0,0,0,0|0,0,0]=2 443 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,1,0,0,0,0|1,0,1]=4 444 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,1,0,0,0,0|0,0,0]=2 446 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,1,0,0,0,0|1,0,1]=4 448 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,1,0,0,0,0|0,0,1]=3 449 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,1,0,0,0,0|1,0,0]=3 450 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,1,0,0,0,0|0,0,0]=2 451 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,1,0,0,0,0|1,0,0]=3 452 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [1,1,0,0,0,0|1,0,0]=3 453 B9R1.27 CCC1=C(SC=C1C)C CNP0290870.0 [0,1,0,0,1,0|2,0,0]=4 454 B9R1.37 C=C1OC(=C(C1=O)O)C CNP0458882.0 [0,1,0,0,1,0|2,0,0]=4 455 B9R1.37 CC1=C(C(=C(N1)C)C)C CNP0159162.0 [0,1,0,0,1,0|2,0,0]=4 456 B9R1.37 CC1=CC(=O)N(C1=O)C CNP0017910.0 [0,1,0,0,1,0|1,0,1]=4 457 B9R1.132 CCC1=C(C(=CS1)C)C CNP0171065.0 [0,1,0,0,1,0|2,0,0]=4 458 B9R1.132 CCC1=CSC(=C1C)C CNP0103141.0 [0,1,0,0,1,0|2,0,0]=4 459 B9R1.138 CC1=C(C(C=C1)(C)C)C CNP0350269.0 [0,1,0,0,1,0|1,0,1]=4 460 B11R1.66 COC1=C(C=CC=CC1=O)O CNP0053010.0 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.381 COC1=C(C(=O)C=CC=C1)O CNP0528204.0 [0,1,0,0,0,1|1,0,0]=3 462 B11R1.381 COC1=CC=CC=C(C1=O)O CNP0345100.0 [0,1,0,0,0,1|1,0,1]=4 463 B11R1.494 CC1=CC(=C(C(=O)C=C1)O)O CNP0455660.0 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.499 CC1=CC=CC(=O)C(=C1O)O CNP0441519.0 [0,1,0,0,0,1|1,0,0]=3 465 B11R1.499 O=C1C(=CC=CC(=C1O)O)O CNP0509109.0 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.499 O=C1C=CC=C(C(=C1O)O)O CNP0343359.0 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.569 CC1=CC=CCC(C1=O)(C)C CNP0331827.0 [0,1,0,0,0,1|0,0,2]=4 468 B11R1.561 CC1=CC=CC(CC1=O)(C)C CNP0265210.0 [0,1,0,0,0,1|0,0,2]=4 469 B11R1.655 CC1=C(C=C(C(=O)C=C1)O)C CNP0472107.0 [0,1,0,0,0,1|1,0,0]=3 470 B11R1.8 COC1=CC(=CC(=C1C)O)C CNP0174177.0 [0,2,0,0,0,0|2,0,0]=4 471 B11R1.8 COC1=CC(=CC(=C1C)O)O CNP0262935.0 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.8 COC1=CC(=CC(=C1O)Br)Br CNP0067769.0 [0,2,0,0,0,0|1,0,0]=3 473 B11R1.8 COC1=CC(=CC(=C1O)C)O CNP0140056.0 [0,2,0,0,0,0|0,0,0]=2 474 B11R1.8 COC1=CC(=CC(=C1O)O)C CNP0147274.0 [0,2,0,0,0,0|1,0,0]=3 475 B11R1.8 COC1=CC(=CC(=C1O)O)O CNP0350475.0 [0,2,0,0,0,0|1,0,0]=3 476 B11R1.8 COC1=CC(=O)C=C(C1=O)C CNP0357550.0 [0,2,0,0,0,0|0,0,1]=3 477 B11R1.8 N#CC1=CC(=CC(=C1O)Br)Br CNP0275601.0 [0,2,0,0,0,0|1,0,1]=4 478 B11R1.8 O=C1C=C(C(=O)C(=C1)CO)Cl CNP0274303.0 [0,2,0,0,0,0|1,0,1]=4 479 B11R1.8 O=CC1=CC(=CC(=C1O)Br)Br CNP0248962.0 [0,2,0,0,0,0|1,0,1]=4 480 B11R1.8 OCC1=CC(=CC(=C1O)Br)O CNP0073176.0 [0,2,0,0,0,0|1,0,0]=3 481 B11R1.8 OCC1=CC(=CC(=C1O)Cl)O CNP0321775.0 [0,2,0,0,0,0|1,0,0]=3 482 B11R1.8 OCC1=CC(=CC(=C1O)O)O CNP0551970.0 [0,2,0,0,0,0|1,0,0]=3 483 B11R1.13 C=CCC1=CC=CC(=C1O)C CNP0326275.0 [0,2,0,0,0,0|0,0,0]=2 484 B11R1.13 C=CCC1=CC=CC(=C1O)O CNP0228309.0 [0,2,0,0,0,0|1,0,0]=3 485 B11R1.13 CC1=CC=CC(=C1N)OC=O CNP0301878.0 [0,2,0,0,0,0|1,0,1]=4 486 B11R1.13 CCCC1=CC=CC(=C1C)C CNP0310285.0 [0,2,0,0,0,0|1,0,0]=3 487 B11R1.13 CCCC1=CC=CC(=C1O)O CNP0519779.0 [0,2,0,0,0,0|1,0,0]=3 488 B11R1.13 CCOC1=CC=CC(=C1C)C CNP0186598.0 [0,2,0,0,0,0|1,0,0]=3 489 B11R1.13 CCOC1=CC=CC(=C1C)O CNP0350443.0 [0,2,0,0,0,0|2,0,0]=4 490 B11R1.72 C=CC1=C(C=CC(=C1C)O)O CNP0119904.0 [0,2,0,0,0,0|2,0,0]=4 491 B11R1.72 CC1=CC=C(C(=C1C#N)C)Br CNP0263714.0 [0,2,0,0,0,0|1,0,0]=3 492 B11R1.72 CC1=CC=C(C(=C1C)C=O)C CNP0300217.0 [0,2,0,0,0,0|0,0,1]=3 493 B11R1.72 CCC1=C(C(=O)C=CC1=O)C CNP0115905.0 [0,2,0,0,0,0|2,0,0]=4 494 B11R1.72 CCC1=C(C=CC(=C1C)O)O CNP0216521.0 [0,2,0,0,0,0|2,0,0]=4 495 B11R1.72 COC1=C(C(=O)C=CC1=O)C CNP0331227.0 [0,2,0,0,0,0|1,0,0]=3 496 B11R1.72 COC1=C(C=CC(=C1C)C)C CNP0076001.0 [0,2,0,0,0,0|0,0,0]=2 497 B11R1.72 COC1=C(C=CC(=C1C)O)O CNP0104161.0 [0,2,0,0,0,0|1,0,0]=3 498 B11R1.72 O=CC1=C(C=CC(=C1O)O)O CNP0278067.0 [0,2,0,0,0,0|1,0,1]=4 499 B11R1.159 C=C(C)C1=CC=CC(=C1C)O CNP0547009.0 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [0,2,0,0,0,0|1,0,0]=3 501 B11R1.159 CC(C)C1=CC=CC(=C1O)O CNP0066936.0 [0,2,0,0,0,0|1,0,0]=3 502 B11R1.159 CC1=C(C=CC=C1C(C)C)O CNP0487698.0 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.159 CC1=CC=CC(=C1N)C(=O)O CNP0472872.0 [0,2,0,0,0,0|1,0,1]=4 504 B11R1.159 CC1=CC=CC(=C1N)C(C)C CNP0611703.0 [0,2,0,0,0,0|1,0,0]=3 505 B11R1.159 CC1=CC=CC(=C1O)C(=O)O CNP0134592.0 [0,2,0,0,0,0|0,0,1]=3 506 B11R1.159 NC(=O)C1=CC=CC(=C1O)O CNP0115939.0 [0,2,0,0,0,0|1,0,1]=4 507 B11R1.159 NC1=CC=CC(=C1O)C(=O)O CNP0299279.0 [0,2,0,0,0,0|1,0,1]=4 508 B11R1.159 O=C(O)C1=CC=CC(=C1O)O CNP0283277.0 [0,2,0,0,0,0|1,0,1]=4 509 B11R1.159 O=C([O-])C1=CC=CC(=C1O)O CNP0535153.0 [0,2,0,0,0,0|1,0,1]=4 510 B11R1.265 COC1=C(OC=CC1=O)CO CNP0382877.0 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.265 COC1=CC=CC(=C1C=O)C CNP0303374.0 [0,2,0,0,0,0|0,0,1]=3 512 B11R1.265 COC1=CC=CC(=C1OC)O CNP0219911.0 [0,2,0,0,0,0|1,0,0]=3 513 B11R1.265 [2H]C1=CC=CC(=C1OC)OC CNP0522094.0 [0,2,0,0,0,0|1,0,0]=3 514 B11R1.267 C=CC1=CC=CC(=C1O)OC CNP0519392.0 [0,2,0,0,0,0|0,0,1]=3 515 B11R1.267 CCC1=CC=CC(=C1N)CC CNP0066984.0 [0,2,0,0,0,0|1,0,0]=3 516 B11R1.267 CCC1=CC=CC(=C1O)OC CNP0598934.0 [0,2,0,0,0,0|0,0,0]=2 517 B11R1.267 COC1=CC=CC(=C1C)OC CNP0500612.0 [0,2,0,0,0,0|1,0,0]=3 518 B11R1.267 COC1=CC=CC(=C1O)C=O CNP0274414.0 [0,2,0,0,0,0|0,0,1]=3 519 B11R1.267 COC1=CC=CC(=C1O)OC CNP0421772.0 [0,2,0,0,0,0|0,0,0]=2 520 B11R1.267 COC1=CC=NC(=C1O)OC CNP0152783.0 [0,2,0,0,0,0|1,0,0]=3 521 B11R1.267 O=CC1=CC=CC(=C1O)C=O CNP0062742.0 [0,2,0,0,0,0|0,0,2]=4 522 B11R1.278 CC1=C(C(=NO)C=CC1=O)C CNP0222665.0 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.278 CC1=C(C=CC(=C1O)N=O)O CNP0064746.0 [0,2,0,0,0,0|1,0,0]=3 524 B11R1.278 CC1=C(C=CC(=C1O)O)C=O CNP0202109.0 [0,2,0,0,0,0|1,0,0]=3 525 B11R1.278 CC1=CC=C(C(=C1C)C)C=O CNP0307883.0 [0,2,0,0,0,0|1,0,0]=3 526 B11R1.278 CC1=NC=C(C(=C1O)C)CO CNP0346238.0 [0,2,0,0,0,0|1,0,0]=3 527 B11R1.278 CCC1=CC=C(C(=C1O)C)C CNP0328437.0 [0,2,0,0,0,0|0,0,0]=2 528 B11R1.278 COC1=C(N(C(=O)C=C1)O)C CNP0329943.0 [0,2,0,0,0,0|2,0,0]=4 529 B11R1.278 COC1=CC=C(C(=C1Br)C)Cl CNP0611848.0 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.278 COC1=CC=C(C(=C1C)C)Br CNP0059488.0 [0,2,0,0,0,0|1,0,0]=3 531 B11R1.278 COC1=CC=C(C(=O)C1=O)C CNP0534932.0 [0,2,0,0,0,0|1,0,1]=4 532 B11R1.278 O=C1C(=COC(=C1O)CO)O CNP0142148.0 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.278 O=CC1=CC=C(C(=C1O)O)O CNP0080275.0 [0,2,0,0,0,0|1,0,1]=4 534 B11R1.14 C=CC1=CC(=C(C(=C1)Br)O)O CNP0580129.0 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.14 CC1=CC(=CC(=C1O)C)C=O CNP0331607.0 [0,2,0,0,0,0|0,0,0]=2 536 B11R1.14 COC1=CC(=C(C(=C1)Br)O)Br CNP0419946.0 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.14 COC1=CC(=C(C(=C1)C)Br)C CNP0205664.0 [0,2,0,0,0,0|1,0,0]=3 538 B11R1.14 COC1=CC(=C(C(=C1)C)O)C CNP0227213.0 [0,2,0,0,0,0|0,0,0]=2 539 B11R1.14 COC1=CC(=C(C(=C1)Cl)O)Cl CNP0210331.0 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.14 COC1=CC(=[N+](C(=C1)C)[O-])C CNP0605512.0 [0,2,0,0,0,0|1,0,1]=4 541 B11R1.14 N#CC1=CC(=C(C(=C1)O)O)O CNP0123806.0 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.14 O=CC1=CC(=C(C(=C1)Br)O)Br CNP0188044.0 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.14 O=CC1=CC(=C(C(=C1)Br)O)O CNP0146798.0 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.14 O=CC1=CC(=C(C(=C1)O)O)O CNP0306277.0 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.14 OCC1=CC(=C(C(=C1)Br)O)Br CNP0322070.0 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.14 OCC1=CC(=C(C(=C1)Br)O)O CNP0347203.0 [0,2,0,0,0,0|2,0,0]=4 547 B11R1.14 OCC1=CC(=C(C(=C1)Cl)O)O CNP0147248.0 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.14 OCC1=CC(=C(C(=C1)O)O)O CNP0196506.0 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.32 CC1=C(C(=C(C(=O)O1)C)O)C CNP0208216.0 [0,2,0,0,0,0|1,0,0]=3 550 B11R1.32 CC1=C(C(=CC(=C1Cl)O)O)Cl CNP0430106.0 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.32 CC1=C(C(=O)C(=CC1=O)O)O CNP0111158.0 [0,2,0,0,0,0|1,0,0]=3 552 B11R1.32 CC1=C(C(=O)C=C(C1=O)O)O CNP0221051.0 [0,2,0,0,0,0|1,0,0]=3 553 B11R1.32 CC1=C(C=C(C(=C1O)C)O)O CNP0149570.0 [0,2,0,0,0,0|0,0,0]=2 554 B11R1.32 CC1=CC(=C(C(=C1C)Br)C)C CNP0228587.0 [0,2,0,0,0,0|1,0,0]=3 555 B11R1.32 CC1=CC(=C(C(=C1C)C)Br)C CNP0094730.0 [0,2,0,0,0,0|1,0,0]=3 556 B11R1.32 CC1=CC(=C(C(=C1C)C)C)Br CNP0068892.0 [0,2,0,0,0,0|1,0,0]=3 557 B11R1.32 CC1=CC(=C(C(=C1C)C)O)C CNP0205719.0 [0,2,0,0,0,0|0,0,0]=2 558 B11R1.32 CC1=CC(=C(C(=C1C)C)O)O CNP0288515.0 [0,2,0,0,0,0|1,0,0]=3 559 B11R1.32 CC1=CC(=C(C(=C1C)I)C)C CNP0069313.0 [0,2,0,0,0,0|1,0,0]=3 560 B11R1.32 CC1=CC(=C(C(=C1C)O)C)C CNP0212055.0 [0,2,0,0,0,0|0,0,0]=2 561 B11R1.32 CC1=CC(=C(C(=C1C)O)C)O CNP0324335.0 [0,2,0,0,0,0|0,0,0]=2 562 B11R1.32 CC1=CC(=C(C(=C1I)C)I)C CNP0030832.0 [0,2,0,0,0,0|1,0,0]=3 563 B11R1.32 CC1=CC(=C(C(=C1N)C)N)C CNP0600092.0 [0,2,0,0,0,0|1,0,0]=3 564 B11R1.32 CC1=CC(=C(C(=C1O)C)C)O CNP0086369.0 [0,2,0,0,0,0|0,0,0]=2 565 B11R1.32 CC1=CC(=C(C(=C1O)O)O)O CNP0166636.0 [0,2,0,0,0,0|1,0,0]=3 566 B11R1.32 CC1=CC(=O)C(=C(C1=O)C)C CNP0313155.0 [0,2,0,0,0,0|0,0,1]=3 567 B11R1.32 CC1=CC(=O)C(=C(C1=O)O)C CNP0231654.0 [0,2,0,0,0,0|1,0,0]=3 568 B11R1.32 CC1=CC(=O)C(=C(C1=O)O)O CNP0207805.0 [0,2,0,0,0,0|1,0,1]=4 569 B11R1.32 OC1=CC(=C(C(=C1Br)Br)O)Br CNP0046080.0 [0,2,0,0,0,0|2,0,0]=4 570 B11R1.32 OC1=CC(=C(C(=C1Br)O)Br)O CNP0236193.0 [0,2,0,0,0,0|2,0,0]=4 571 B11R1.32 OC1=CC(=C(C(=C1Cl)Cl)O)Cl CNP0083797.0 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.32 OC1=CC(=C(C(=C1Cl)O)Br)O CNP0178904.0 [0,2,0,0,0,0|2,0,0]=4 573 B11R1.32 OC1=CC(=C(C(=C1O)O)Br)O CNP0437743.0 [0,2,0,0,0,0|2,0,0]=4 574 B11R1.464 CC1=CC(=C(C(=C1)C)C=O)C CNP0234902.0 [0,2,0,0,0,0|0,0,1]=3 575 B11R1.464 CC1=CC(=C(C(=C1)C)N=O)C CNP0216799.0 [0,2,0,0,0,0|0,0,1]=3 576 B11R1.464 CC1=CC(=CC(=C1C=O)O)O CNP0115622.0 [0,2,0,0,0,0|1,0,1]=4 577 B11R1.464 CCC1=C(C=C(C=C1C)C)C CNP0246344.0 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.464 CCC1=C(C=C(C=C1C)O)C CNP0365832.0 [0,2,0,0,0,0|1,0,0]=3 579 B11R1.464 CCC1=C(C=C(C=C1Cl)C)C CNP0233565.0 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.464 COC1=C(C=C(C=C1Br)Br)Br CNP0126610.0 [0,2,0,0,0,0|2,0,0]=4 581 B11R1.464 COC1=C(C=C(C=C1Br)Br)O CNP0097750.0 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.464 COC1=C(C=C(C=C1Br)O)Br CNP0178459.0 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.464 COC1=C(C=C(C=C1C)C)C CNP0565570.0 [0,2,0,0,0,0|0,0,0]=2 584 B11R1.464 COC1=C(C=C(C=C1Cl)Cl)Cl CNP0178727.0 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.464 COC1=C(C=C(C=C1O)O)O CNP0224483.0 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.156 C=C(C)C1=C(C=CC=C1O)C CNP0547985.0 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.156 CC(=O)C1=C(C=CC=C1O)C CNP0305756.0 [0,2,0,0,0,0|1,0,1]=4 588 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CNP0307151.0 [0,2,0,0,0,0|0,0,1]=3 589 B11R1.156 CC1=CC=CC(=C1C(=O)O)C CNP0447536.0 [0,2,0,0,0,0|0,0,0]=2 590 B11R1.156 CC1=CC=CC(=C1C(=O)O)N CNP0474196.0 [0,2,0,0,0,0|1,0,0]=3 591 B11R1.156 CC1=CC=CC(=C1C(=O)O)O CNP0206449.0 [0,2,0,0,0,0|1,0,0]=3 592 B11R1.156 O=C(O)C1=C(C=CC=C1O)O CNP0200151.0 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.605 CC1=C(C(=O)C=CO1)C=CO CNP0337481.0 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.605 CCCC1=C(C=CC=C1C)C CNP0181300.0 [0,2,0,0,0,0|1,0,0]=3 595 B11R1.605 CCCC1=C(C=CC=C1O)C CNP0602938.0 [0,2,0,0,0,0|2,0,0]=4 596 B11R1.605 CCOC1=C(C=CC=C1C)C CNP0305995.0 [0,2,0,0,0,0|0,0,0]=2 597 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,0,1,1,0,0|1,0,0]=3 598 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,0,1,1,0,0|2,0,0]=4 599 B9R1.41 CC(=O)C1=C(C=CS1)C CNP0290372.0 [0,0,1,1,0,0|1,1,0]=4 600 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,0,1,1,0,0|2,0,0]=4 601 B9R1.5 O=C1C=CC=CC=C1O CNP0148494.0 [0,0,1,1,0,0|1,0,1]=4 602 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [0,0,1,1,0,0|2,0,0]=4 603 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [0,0,1,1,0,0|1,0,1]=4 604 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [0,0,1,1,0,0|2,0,0]=4 605 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,0,1,1,0,0|1,0,1]=4 606 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [0,0,1,1,0,0|1,0,1]=4 607 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [0,0,1,1,0,0|2,0,0]=4 608 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,1,0,0|1,0,0]=3 609 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [0,1,0,1,0,0|1,0,1]=4 610 B11R2.106 CC1=CC=CC2=C1C=CC2 CNP0382837.0 [0,1,0,1,0,0|1,0,0]=3 611 B11R2.106 CC1=CC=CC2=C1C=CN2 CNP0104005.0 [0,1,0,1,0,0|1,0,1]=4 612 B11R2.106 CC1=CC=CC2=C1C=CO2 CNP0141148.0 [0,1,0,1,0,0|1,0,1]=4 613 B11R2.106 CC1=CC=CC2=C1CCC2 CNP0306723.0 [0,1,0,1,0,0|1,0,0]=3 614 B11R2.106 CC1=CC=CC2=C1NC=C2 CNP0319116.0 [0,1,0,1,0,0|1,0,1]=4 615 B11R2.106 CC1=CC=NC2=C1ON=N2 CNP0197534.0 [0,1,0,1,0,0|2,0,0]=4 616 B11R2.106 CC1=CC=NC2=NON=C12 CNP0387519.0 [0,1,0,1,0,0|2,0,0]=4 617 B11R2.106 CC1=CN=CC2=C1ON=N2 CNP0147362.0 [0,1,0,1,0,0|2,0,0]=4 618 B11R2.106 CC1=CN=CC2=NON=C12 CNP0000820.0 [0,1,0,1,0,0|2,0,0]=4 619 B11R2.106 CC1=NC=CC2=C1ON=N2 CNP0263322.0 [0,1,0,1,0,0|2,0,0]=4 620 B11R2.106 CC1=NC=CC2=NON=C12 CNP0001003.0 [0,1,0,1,0,0|2,0,0]=4 621 B11R2.106 N=C1C=CC=C2C1=NON2 CNP0039329.0 [0,1,0,1,0,0|2,0,0]=4 622 B11R2.106 NC1=CC=CC2=C1OCO2 CNP0040687.0 [0,1,0,1,0,0|1,0,0]=3 623 B11R2.106 NC1=CC=CC2=C1ON=N2 CNP0001266.0 [0,1,0,1,0,0|2,0,0]=4 624 B11R2.106 NC1=CC=CC2=NON=C12 CNP0114901.0 [0,1,0,1,0,0|2,0,0]=4 625 B11R2.106 OC1=CC=CC2=C1CCC2 CNP0204315.0 [0,1,0,1,0,0|2,0,0]=4 626 B11R2.610 CC1=CC(=C2CCC2=C1)C CNP0050950.0 [0,1,0,1,0,0|1,0,0]=3 627 B11R2.468 O=C1CC2=CC=CC(=C12)Br CNP0327870.0 [0,1,0,1,0,0|1,0,1]=4 628 B11R2.468 O=C1CC2=CC=CC(=C12)Cl CNP0193006.0 [0,1,0,1,0,0|1,0,1]=4 629 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [1,0,0,0,1,0|2,0,0]=4 630 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [1,0,0,0,1,0|2,0,0]=4 631 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [1,0,0,0,1,0|1,0,0]=3 632 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,0,0,0,1,0|1,0,0]=3 633 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [1,0,0,0,1,0|1,0,0]=3 634 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [1,0,0,0,1,0|2,0,0]=4 635 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [1,0,0,0,1,0|2,0,0]=4 636 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [1,0,0,0,1,0|2,0,0]=4 637 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [1,0,0,0,1,0|2,0,0]=4 638 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [1,0,0,0,1,0|2,0,0]=4 639 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [1,0,0,0,1,0|1,0,0]=3 640 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [1,0,0,0,1,0|2,0,0]=4 641 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [1,0,0,0,1,0|1,0,0]=3 642 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [1,0,0,0,1,0|2,0,0]=4 643 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [1,0,0,0,1,0|2,0,0]=4 644 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [1,0,0,0,1,0|2,0,0]=4 645 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [1,0,0,0,1,0|2,0,0]=4 646 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [1,0,0,0,1,0|2,0,0]=4 647 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,0,0,0,1,0|1,0,0]=3 648 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [1,0,0,0,1,0|2,0,0]=4 649 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [1,0,0,0,1,0|1,0,0]=3 650 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [1,0,0,0,1,0|2,0,0]=4 651 B7R1.4 CC1=CN=CN1C CNP0283331.0 [1,0,0,0,1,0|2,0,0]=4 652 B7R1.4 CC1=CSC=C1C CNP0084292.0 [1,0,0,0,1,0|1,0,0]=3 653 B7R1.4 CC1=NC=CN1C CNP0511652.0 [1,0,0,0,1,0|2,0,0]=4 654 B9R0.42 C=C(C)C(=C)CC(=CC)C CNP0076071.0 [0,0,1,0,0,1|1,0,1]=4 655 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [1,0,0,0,0,1|1,0,0]=3