0 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.3 C=C1C=COC(=C1O)C CNP0335368.0 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [0,0,0,0,0,0|0,0,1]=1 5 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,0,0,0,0,0|0,0,2]=2 6 B9R1.3 CC1=C(C=CC=C1Br)O CNP0597127.0 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.3 CC1=C(C=CC=C1Cl)N CNP0102945.0 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.3 CC1=C(C=CC=C1N)N CNP0199822.0 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.3 CC1=C(C=CC=C1O)O CNP0572969.0 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.3 CC1=C(C=COC1=O)O CNP0206261.0 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.3 CC1=C(OC=CC1=O)O CNP0163753.0 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [0,0,0,0,0,0|1,0,1]=2 19 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [0,0,0,0,0,0|2,1,0]=3 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|3,0,0]=3 22 B9R1.3 CC1=CN=CC(=C1C)C CNP0297347.0 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.3 CN1C(=NC=CC1=O)O CNP0557631.0 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.3 CN1C(=O)C=CNC1=O CNP0086090.0 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.3 CN1C(=O)C=CNC1=S CNP0267461.0 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,0,0,0,0,0|0,0,2]=2 27 B9R1.3 C[C@H]1OC=C[C@H]([C@H]1O)O CNP0387564.1 [0,0,0,0,0,0|0,0,4]=4 28 B9R1.3 NC1=C(C=CC=C1Cl)Cl CNP0029750.0 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.3 NC1=CC=CC(=C1Cl)Cl CNP0079961.0 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.3 O=C1C=CC=C(C1=O)O CNP0358701.0 [0,0,0,0,0,0|2,0,1]=3 31 B9R1.3 OC1=C(C=CC=C1Br)Br CNP0310547.0 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.3 OC1=C(C=CC=C1Cl)Cl CNP0231789.0 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.3 OC1=CC=CC(=C1Br)Br CNP0592928.0 [0,0,0,0,0,0|3,0,1]=4 34 B9R1.3 OC1=CC=CC(=C1Cl)Cl CNP0060336.0 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.3 OC1=CC=CC(=C1O)O CNP0308187.0 [0,0,0,0,0,0|2,0,1]=3 36 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [1,0,0,0,0,0|0,0,0]=1 39 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,0,0,0,0,0|1,0,2]=4 40 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [1,0,0,0,0,0|0,0,2]=3 41 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [1,0,0,0,0,0|2,0,0]=3 43 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [1,0,0,0,0,0|2,0,0]=3 46 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [1,0,0,0,0,0|1,0,2]=4 60 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.4 NC1=NC(=O)C=CN1 CNP0262149.0 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.4 O=C1C=CNC(=O)N1 CNP0289236.0 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.4 O=C1C=CNC(=S)N1 CNP0267533.0 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [1,0,0,0,0,0|1,0,0]=2 80 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [1,0,0,0,0,0|1,1,0]=3 81 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [1,0,0,0,0,0|1,0,0]=2 89 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.5 N=C1C=CNC=C1N CNP0546227.0 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [1,0,0,0,0,0|2,1,0]=4 96 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [1,0,0,0,0,0|1,0,1]=3 99 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [1,0,0,0,0,0|1,0,0]=2 100 B8R1.5 O=C1C=CCC[C@H]1O CNP0184265.1 [1,0,0,0,0,0|1,0,2]=4 101 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [1,0,0,0,0,0|1,0,0]=2 102 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [1,0,0,0,0,0|0,0,0]=1 103 B8R1.5 O=C1CCCC=C1O CNP0238036.0 [1,0,0,0,0,0|1,0,2]=4 104 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [1,0,0,0,0,0|1,0,0]=2 106 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [1,0,0,0,0,0|1,0,1]=3 109 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [1,0,0,0,0,0|2,0,0]=3 110 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [1,0,0,0,0,0|2,0,0]=3 111 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [1,0,0,0,0,0|1,0,1]=3 112 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [1,0,0,0,0,0|2,1,0]=4 113 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [1,0,0,0,0,0|1,0,1]=3 114 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [1,0,0,0,0,0|2,0,0]=3 115 B10R1.2 C#[N+]C1=CC=CC(=C1O)N CNP0440267.0 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.2 CC1=CC=CC(=C1C)C#N CNP0139053.0 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.2 CCC1=C(C(=O)C=CO1)O CNP0197022.0 [0,1,0,0,0,0|0,0,0]=1 119 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [0,1,0,0,0,0|1,0,1]=3 122 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.2 COC1=CC=CC(=C1N)C CNP0448107.0 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.2 COC1=CC=CC(=O)C1=O CNP0358042.0 [0,1,0,0,0,0|1,0,1]=3 127 B10R1.2 O=C1C=COC(=C1O)CO CNP0298786.0 [0,1,0,0,0,0|0,0,0]=1 128 B10R1.2 O=CC1=CC=CC(=C1O)O CNP0104242.0 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [0,1,0,0,0,0|1,0,1]=3 130 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.22 CC1=C(C(=O)C[C@H](O1)O)O CNP0088707.1 [0,1,0,0,0,0|0,0,2]=3 132 B10R1.22 CC1=C(C(=O)NC(=O)N1)Br CNP0009626.0 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.22 CC1=C(C(=O)NC(=O)N1)O CNP0368070.0 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.22 CC1=CC(=C(C(=C1)Br)O)Br CNP0242146.0 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CNP0375454.0 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.22 CC1=CC(=C(C(=C1)C)N)C CNP0072418.0 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.22 CC1=CC(=C(C(=C1)C)O)C CNP0321032.0 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.22 CC1=CC(=C(C(=C1)N)C)C CNP0027884.0 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.22 CC1=CC(=C(C(=C1)O)C)C CNP0281157.0 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.22 CC1=CC(=C(C(=C1)O)O)C CNP0386654.0 [0,1,0,0,0,0|1,0,1]=3 141 B10R1.22 CC1=CC(=C(C(=C1)O)O)O CNP0266425.0 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.22 CC1=CC(=C(C(=N1)C)C)C CNP0182494.0 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.22 CC1=CC(=C(C(=O)O1)C)O CNP0371588.0 [0,1,0,0,0,0|2,0,1]=4 144 B10R1.22 CC1=CC(=CC(=C1C)C)N CNP0214882.0 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.22 CC1=CC(=CC(=C1C)C)O CNP0208232.0 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.22 CC1=CC(=CC(=C1C)O)O CNP0138651.0 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.22 CC1=CC(=CC(=C1Cl)C)O CNP0229378.0 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.22 CC1=CC(=CC(=C1Cl)O)O CNP0283107.0 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.22 CC1=CC(=CC(=C1N)C)I CNP0086270.0 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.22 CC1=CC(=CC(=C1O)C)O CNP0107250.0 [0,1,0,0,0,0|2,0,0]=3 151 B10R1.22 CC1=CC(=CC(=C1O)O)O CNP0249116.0 [0,1,0,0,0,0|1,0,1]=3 152 B10R1.22 CC1=CC(=O)C=C(C1=O)C CNP0081563.0 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.22 CC1=CC(=O)C=C(C1=O)O CNP0106705.0 [0,1,0,0,0,0|1,0,2]=4 154 B10R1.22 C[C@H]1OC(=CC(=O)[C@@H]1O)O CNP0109001.1 [0,1,0,0,0,0|0,0,2]=3 155 B10R1.22 NC1=C(C(=O)NC(=O)N1)O CNP0273160.0 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.22 NC1=CC(=C(C(=C1)O)O)N CNP0223457.0 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.22 NC1=NC(=C(C(=O)N1)O)N CNP0561845.0 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.22 NC1=NC(=O)C(=C(N1)N)O CNP0492507.0 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.22 O=C1NC(=C(C(=O)N1)O)O CNP0148595.0 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.22 OC1=C(C=C(C=C1Br)Br)Br CNP0415243.0 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.22 OC1=C(C=C(C=C1Br)Br)Cl CNP0017890.0 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Br CNP0371629.0 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.22 OC1=C(C=C(C=C1Br)Cl)Cl CNP0322036.0 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.22 OC1=C(C=C(C=C1Cl)I)Cl CNP0173173.0 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.22 OC1=CC(=C(C(=C1)Br)O)Br CNP0113606.0 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.22 OC1=CC(=C(C(=C1)Cl)O)Cl CNP0083796.0 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.22 OC1=CC(=C(C(=C1)I)O)I CNP0313558.0 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.22 OC1=CC(=C(C(=C1)O)O)O CNP0134222.0 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.22 OC1=CC(=CC(=C1O)Br)Br CNP0081702.0 [0,1,0,0,0,0|2,0,1]=4 170 B10R1.22 OC1=CC(=CC(=C1O)Cl)Cl CNP0598413.0 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.119 CC1=C(C(=O)C(=CO1)C)O CNP0126465.0 [0,1,0,0,0,0|0,0,0]=1 172 B10R1.119 CC1=C(C(=O)C(=CO1)O)O CNP0249032.0 [0,1,0,0,0,0|0,0,0]=1 173 B10R1.119 CC1=C(C(=O)C=CC1=O)C CNP0252044.0 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.119 CC1=C(C(=O)C=CC1=O)O CNP0304817.0 [0,1,0,0,0,0|1,0,0]=2 175 B10R1.119 CC1=C(C(=O)C=CN1C)O CNP0409474.0 [0,1,0,0,0,0|1,0,0]=2 176 B10R1.119 CC1=C(C(=O)[C@@H](CO1)O)O CNP0283189.1 [0,1,0,0,0,0|0,0,2]=3 177 B10R1.119 CC1=C(C(=O)[C@H](CO1)O)O CNP0283189.2 [0,1,0,0,0,0|0,0,2]=3 178 B10R1.119 CC1=C(C=CC(=C1C)O)N CNP0562106.0 [0,1,0,0,0,0|2,0,1]=4 179 B10R1.119 CC1=C(C=CC(=C1C)O)O CNP0119775.0 [0,1,0,0,0,0|2,0,1]=4 180 B10R1.119 CC1=C(C=CC(=C1O)O)O CNP0354287.0 [0,1,0,0,0,0|1,0,1]=3 181 B10R1.119 CC1=CC=C(C(=C1C)C)C CNP0376974.0 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.119 CC1=CC=C(C(=C1C)O)O CNP0352924.0 [0,1,0,0,0,0|1,0,1]=3 184 B10R1.119 CC1=CC=C(C(=C1Cl)C)S CNP0345116.0 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.119 CC1=CC=C(C(=C1O)C)O CNP0142427.0 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.119 CC1=CC=C(C(=C1O)O)C CNP0183636.0 [0,1,0,0,0,0|1,0,1]=3 187 B10R1.119 CC1=CN=C(C(=C1C)C)C CNP0265742.0 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.119 C[C@H]1OC=C(C(=O)[C@@H]1O)O CNP0342251.1 [0,1,0,0,0,0|0,0,2]=3 189 B10R1.119 O=C1C=CC(=O)C(=C1O)O CNP0263917.0 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.119 OC1=C(C=CC(=C1O)Cl)Cl CNP0043594.0 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.119 OC1=CC=C(C(=C1Br)O)Br CNP0192123.0 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.119 OC1=CC=C(C(=C1O)O)O CNP0189021.0 [0,1,0,0,0,0|2,0,1]=4 193 B10R1.245 CC1=CC=CC(=C1C#N)C CNP0139271.0 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.245 CC1=CC=CC(=C1C=O)C CNP0561651.0 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [0,1,0,0,0,0|1,0,2]=4 196 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [0,1,0,0,0,0|1,0,1]=3 197 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.245 CNC1=C(C=CC=C1C)C CNP0282095.0 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.245 COC1=C(C=CC=C1Br)Br CNP0017925.0 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.245 COC1=C(C=CC=C1Cl)Cl CNP0143389.0 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.245 COC1=C(C=CC=C1O)O CNP0193285.0 [0,1,0,0,0,0|2,0,1]=4 203 B10R1.245 COC1=C(NC=CC1=O)C CNP0226695.0 [0,1,0,0,0,0|1,0,0]=2 204 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [0,1,0,0,0,0|0,0,0]=1 205 B8R0.2 C=CC(=C(O)C(=O)O)Cl CNP0377725.0 [0,0,1,0,0,0|2,0,0]=3 206 B8R0.6 CC(=CC=CC=O)CO CNP0246608.0 [0,0,1,0,0,0|1,0,1]=3 207 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,0,1,0,0,0|3,0,0]=4 208 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,0,1,0,0,0|0,0,2]=3 209 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [0,0,0,0,1,0|1,0,2]=4 210 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [0,0,0,0,1,0|1,0,2]=4 211 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [0,0,0,0,1,0|0,0,2]=3 212 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [0,0,0,0,1,0|0,0,1]=2 213 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [0,0,0,0,1,0|0,1,1]=3 214 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [0,0,0,0,1,0|0,2,1]=4 215 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,0,0,0,1,0|2,0,1]=4 216 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [0,0,0,0,1,0|1,0,0]=2 217 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [0,0,0,0,1,0|1,0,2]=4 218 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [0,0,0,0,1,0|1,0,2]=4 219 B8R1.50 OC1=COC(=C1O)O CNP0555359.0 [0,0,0,0,1,0|1,0,1]=3 220 B10R1.275 O=C1C=CC=CC(=C1O)O CNP0516954.0 [0,0,0,0,0,1|2,0,0]=3 221 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [1,0,1,0,0,0|0,0,2]=4 222 B7R0.5 C=CC=C(O)C(=O)O CNP0566102.0 [1,0,1,0,0,0|1,0,0]=3 223 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,0,1,0,0,0|1,0,1]=4 224 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [1,0,1,0,0,0|2,0,0]=4 225 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [1,0,1,0,0,0|1,0,1]=4 226 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,0,1,0,0,0|2,0,0]=4 228 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [1,0,1,0,0,0|1,0,1]=4 229 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|2,0,0]=4 230 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,0,1,0,0,0|1,0,1]=4 231 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [1,0,1,0,0,0|1,0,1]=4 232 B7R0.1 O=CC=CC=CCO CNP0296757.0 [1,0,1,0,0,0|1,0,1]=4 233 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [1,0,1,0,0,0|2,0,0]=4 234 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,0,1,0,0,0|1,0,1]=4 235 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [1,0,1,0,0,0|1,0,0]=3 236 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,0,1,0,0,0|1,0,1]=4 237 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [2,0,0,0,0,0|2,0,0]=4 238 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [2,0,0,0,0,0|1,0,1]=4 239 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|1,0,0]=3 240 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|1,0,0]=3 241 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [2,0,0,0,0,0|1,0,1]=4 242 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|2,0,0]=4 243 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [2,0,0,0,0,0|2,0,0]=4 244 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [2,0,0,0,0,0|2,0,0]=4 245 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [2,0,0,0,0,0|1,0,1]=4 246 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [2,0,0,0,0,0|2,0,0]=4 247 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [2,0,0,0,0,0|0,1,1]=4 248 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [2,0,0,0,0,0|0,1,1]=4 249 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [2,0,0,0,0,0|2,0,0]=4 250 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [2,0,0,0,0,0|2,0,0]=4 251 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [2,0,0,0,0,0|2,0,0]=4 252 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [2,0,0,0,0,0|2,0,0]=4 253 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [2,0,0,0,0,0|2,0,0]=4 254 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [2,0,0,0,0,0|2,0,0]=4 255 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|2,0,0]=4 256 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [2,0,0,0,0,0|2,0,0]=4 257 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [2,0,0,0,0,0|2,0,0]=4 258 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [2,0,0,0,0,0|2,0,0]=4 259 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [2,0,0,0,0,0|1,0,1]=4 260 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [2,0,0,0,0,0|2,0,0]=4 261 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [2,0,0,0,0,0|1,0,0]=3 262 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [2,0,0,0,0,0|1,0,0]=3 263 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [2,0,0,0,0,0|0,0,0]=2 264 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [2,0,0,0,0,0|1,0,0]=3 265 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|2,0,0]=4 266 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [2,0,0,0,0,0|1,0,0]=3 267 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [2,0,0,0,0,0|1,0,1]=4 268 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [2,0,0,0,0,0|1,1,0]=4 269 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|2,0,0]=4 270 B9R0.79 O=C(O)C(=O)C(=C(O)O)O CNP0190522.0 [0,1,1,0,0,0|2,0,0]=4 271 B9R0.1 CC(=O)C=CC=C(C)CO CNP0040353.0 [0,1,1,0,0,0|1,0,1]=4 272 B9R0.5 C=COC(=O)C=CC=CC CNP0588574.0 [0,1,1,0,0,0|2,0,0]=4 273 B9R0.47 NC(=CC=CC=O)C(=O)O CNP0152302.0 [0,1,1,0,0,0|2,0,0]=4 274 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,1,0,0,0,0|1,0,0]=3 276 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,1,0,0,0,0|1,0,1]=4 282 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [1,1,0,0,0,0|1,0,1]=4 284 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,1,0,0,0,0|1,0,1]=4 285 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,1,0,0,0,0|1,0,1]=4 288 B9R1.2 CSC1=NC(=O)C=CN1 CNP0247798.0 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,1,0,0,0,0|1,0,1]=4 290 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,1,0,0,0,0|1,0,1]=4 294 B9R1.34 CC1=CC(=CC(=C1)Br)C CNP0313661.0 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.34 CC1=CC(=CC(=C1)Br)N CNP0191453.0 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.34 CC1=CC(=CC(=C1)C)C CNP0226551.0 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.34 CC1=CC(=CC(=C1)Cl)Cl CNP0135847.0 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.34 CC1=CC(=CC(=C1)I)C CNP0302224.0 [1,1,0,0,0,0|2,0,0]=4 299 B9R1.34 CC1=CC(=CC(=C1)N)C CNP0206372.0 [1,1,0,0,0,0|2,0,0]=4 300 B9R1.34 CC1=CC(=CC(=C1)O)C CNP0206447.0 [1,1,0,0,0,0|1,0,1]=4 301 B9R1.34 CC1=CC(=CC(=C1)O)O CNP0300146.0 [1,1,0,0,0,0|1,0,1]=4 302 B9R1.34 CC1=CC(=CC(=C1)S)C CNP0440794.0 [1,1,0,0,0,0|1,1,0]=4 303 B9R1.34 CC1=CC(=CC(=O)O1)O CNP0150285.0 [1,1,0,0,0,0|0,0,1]=3 304 B9R1.34 CC1=CC(=NC(=C1)C)C CNP0261026.0 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.34 CC1=CC(=O)C=C(O1)O CNP0580633.0 [1,1,0,0,0,0|0,0,0]=2 306 B9R1.34 CC1=CC(=O)NC(=S)N1 CNP0527451.0 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [1,1,0,0,0,0|1,0,0]=3 308 B9R1.34 CC1=CC(=S)C=C(O1)C CNP0070174.0 [1,1,0,0,0,0|0,1,0]=3 309 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [1,1,0,0,0,0|1,0,1]=4 313 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [1,1,0,0,0,0|1,0,1]=4 316 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [1,1,0,0,0,0|2,0,0]=4 318 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [1,1,0,0,0,0|1,0,1]=4 319 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [1,1,0,0,0,0|0,0,0]=2 320 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [1,1,0,0,0,0|1,0,0]=3 321 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [1,1,0,0,0,0|1,0,1]=4 339 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [1,1,0,0,0,0|1,0,1]=4 340 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [1,1,0,0,0,0|1,0,1]=4 344 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,1,0,0,0,0|1,0,1]=4 347 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,1,0,0,0,0|1,0,1]=4 349 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,1,0,0,0,0|1,0,0]=3 351 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,1,0,0,0,0|1,0,1]=4 352 B9R1.15 CC1=CC=NC=C1CO CNP0046684.0 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,1,0,0,0,0|1,0,0]=3 357 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,1,0,0,0,0|1,1,0]=4 358 B9R1.15 CCC1=NC=CC=C1O CNP0052915.0 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,1,0,0,0,0|1,0,0]=3 360 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.15 COC1=CCC=CC1=O CNP0023044.0 [1,1,0,0,0,0|1,0,0]=3 363 B9R1.15 COC1=CN=CC=C1O CNP0541486.0 [1,1,0,0,0,0|1,0,1]=4 364 B9R1.15 COC1=CNC=CC1=O CNP0190346.0 [1,1,0,0,0,0|1,0,0]=3 365 B9R1.15 COC1=COC=CC1=O CNP0259077.0 [1,1,0,0,0,0|0,0,0]=2 366 B9R1.15 COC1=NC=CC=C1O CNP0055948.0 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.15 COC1=NC=CN=C1C CNP0352774.0 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,1,0,0,0,0|1,0,0]=3 369 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,1,0,0,0,0|1,0,0]=3 372 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,1,0,0,0,0|1,0,0]=3 374 B9R1.15 OC1=CC=CN=C1CBr CNP0054715.0 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,1,0,0,0,0|1,0,0]=3 376 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.27 CC1=C(C(=O)CC1)CO CNP0391930.0 [0,1,0,0,1,0|0,0,2]=4 379 B9R1.27 CC1=C(C(=O)OC1)CO CNP0215537.0 [0,1,0,0,1,0|1,0,1]=4 380 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [0,1,0,0,1,0|0,0,2]=4 381 B9R1.37 C=C1CC(=C(C1=O)C)C CNP0259066.0 [0,1,0,0,1,0|1,0,1]=4 382 B9R1.37 C=C1OC(=C(C1=O)O)C CNP0458882.0 [0,1,0,0,1,0|0,0,0]=2 383 B9R1.37 CC1=C(C(=O)C[C@H]1C)O CNP0318056.1 [0,1,0,0,1,0|0,0,2]=4 384 B9R1.37 CC1=C(C(=O)OC1=O)C CNP0306912.0 [0,1,0,0,1,0|2,0,0]=4 385 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [0,1,0,0,1,0|1,0,1]=4 386 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [0,1,0,0,1,0|1,0,1]=4 387 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)O CNP0306768.1 [0,1,0,0,1,0|0,0,2]=4 388 B9R1.37 CC1=C(C(=O)[C@@H](O1)C)O CNP0310181.1 [0,1,0,0,1,0|0,0,1]=3 389 B9R1.37 CC1=C(C(=O)[C@H](O1)C)O CNP0310181.2 [0,1,0,0,1,0|0,0,1]=3 390 B9R1.37 CC1=C(C(C(=O)O1)O)C CNP0600080.0 [0,1,0,0,1,0|1,0,1]=4 391 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,1,0,0,1,0|0,0,2]=4 392 B11R1.66 COC1=C(C=CC=CC1=O)O CNP0053010.0 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.381 COC1=C(C(=O)C=CC=C1)O CNP0528204.0 [0,1,0,0,0,1|1,0,0]=3 394 B11R1.494 CC1=CC(=C(C(=O)C=C1)O)O CNP0455660.0 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.499 CC1=CC=CC(=O)C(=C1O)O CNP0441519.0 [0,1,0,0,0,1|1,0,1]=4 396 B11R1.499 O=C1C(=CC=CC(=C1O)O)O CNP0509109.0 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.499 O=C1C=CC=C(C(=C1O)O)O CNP0343359.0 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.655 CC1=C(C=C(C(=O)C=C1)O)C CNP0472107.0 [0,1,0,0,0,1|1,0,0]=3 399 B11R1.8 COC1=CC(=CC(=C1O)Br)Br CNP0067769.0 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.8 COC1=CC(=CC(=C1O)C)O CNP0140056.0 [0,2,0,0,0,0|1,0,1]=4 401 B11R1.8 COC1=CC(=CC(=C1O)O)C CNP0147274.0 [0,2,0,0,0,0|1,0,1]=4 402 B11R1.8 COC1=CC(=CC(=C1O)O)O CNP0350475.0 [0,2,0,0,0,0|1,0,1]=4 403 B11R1.8 O=CC1=CC(=CC(=C1O)Br)Br CNP0248962.0 [0,2,0,0,0,0|2,0,0]=4 404 B11R1.8 OCC1=CC(=CC(=C1O)Br)O CNP0073176.0 [0,2,0,0,0,0|2,0,0]=4 405 B11R1.8 OCC1=CC(=CC(=C1O)Cl)O CNP0321775.0 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.8 OCC1=CC(=CC(=C1O)O)O CNP0551970.0 [0,2,0,0,0,0|1,0,1]=4 407 B11R1.13 C=CCC1=CC=CC(=C1O)C CNP0326275.0 [0,2,0,0,0,0|2,0,0]=4 408 B11R1.13 C=CCC1=CC=CC(=C1O)O CNP0228309.0 [0,2,0,0,0,0|1,0,1]=4 409 B11R1.13 CC1=CC=CC(=C1N)OC=O CNP0301878.0 [0,2,0,0,0,0|2,0,0]=4 410 B11R1.13 CCCC1=CC=CC(=C1O)O CNP0519779.0 [0,2,0,0,0,0|1,0,1]=4 411 B11R1.72 CC1=CC=C(C(=C1C)C=O)C CNP0300217.0 [0,2,0,0,0,0|2,0,0]=4 412 B11R1.72 CCC1=C(C(=O)C=CC1=O)C CNP0115905.0 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.72 COC1=C(C(=O)C=CC1=O)C CNP0331227.0 [0,2,0,0,0,0|1,0,0]=3 414 B11R1.72 COC1=C(C=CC(=C1C)C)C CNP0076001.0 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.72 COC1=C(C=CC(=C1C)O)O CNP0104161.0 [0,2,0,0,0,0|1,0,1]=4 416 B11R1.72 COC1=C(OC[C@@H](C1=O)O)C CNP0176204.1 [0,2,0,0,0,0|0,0,2]=4 417 B11R1.72 O=CC1=C(C=CC(=C1O)O)O CNP0278067.0 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.159 CC(=O)C1=CC=CC(=C1O)O CNP0306897.0 [0,2,0,0,0,0|1,0,1]=4 419 B11R1.159 CC(C)C1=CC=CC(=C1O)O CNP0066936.0 [0,2,0,0,0,0|1,0,1]=4 420 B11R1.159 CC1=CC=CC(=C1N)C(=O)O CNP0472872.0 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.159 CC1=CC=CC(=C1O)C(=O)O CNP0134592.0 [0,2,0,0,0,0|1,0,0]=3 422 B11R1.159 NC(=O)C1=CC=CC(=C1O)O CNP0115939.0 [0,2,0,0,0,0|2,0,0]=4 423 B11R1.159 NC1=CC=CC(=C1O)C(=O)O CNP0299279.0 [0,2,0,0,0,0|2,0,0]=4 424 B11R1.159 O=C(O)C1=C(C(=O)C=CN1)O CNP0608712.0 [0,2,0,0,0,0|1,0,1]=4 425 B11R1.159 O=C(O)C1=CC=CC(=C1O)O CNP0283277.0 [0,2,0,0,0,0|2,0,0]=4 426 B11R1.159 O=C([O-])C1=CC=CC(=C1O)O CNP0535153.0 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.265 COC1=C(OC=CC1=O)CO CNP0382877.0 [0,2,0,0,0,0|0,0,0]=2 428 B11R1.265 COC1=CC=CC(=C1OC)O CNP0219911.0 [0,2,0,0,0,0|1,0,1]=4 429 B11R1.265 [2H]C1=CC=CC(=C1OC)OC CNP0522094.0 [0,2,0,0,0,0|2,0,0]=4 430 B11R1.267 C=CC1=CC=CC(=C1O)OC CNP0519392.0 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.267 CCC1=CC=CC(=C1O)OC CNP0598934.0 [0,2,0,0,0,0|1,0,1]=4 432 B11R1.267 COC1=CC=CC(=C1O)C=O CNP0274414.0 [0,2,0,0,0,0|1,0,0]=3 433 B11R1.267 COC1=CC=CC(=C1O)OC CNP0421772.0 [0,2,0,0,0,0|1,0,1]=4 434 B11R1.267 COC1=CC=NC(=C1O)OC CNP0152783.0 [0,2,0,0,0,0|1,0,1]=4 435 B11R1.267 O=CC1=CC=CC(=C1O)C=O CNP0062742.0 [0,2,0,0,0,0|1,0,1]=4 436 B11R1.278 CC1=C(C(=NO)C=CC1=O)C CNP0222665.0 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.278 CC1=C(C=CC(=C1O)N=O)O CNP0064746.0 [0,2,0,0,0,0|1,0,0]=3 438 B11R1.278 CC1=C(C=CC(=C1O)O)C=O CNP0202109.0 [0,2,0,0,0,0|1,0,1]=4 439 B11R1.278 CC1=CC=C(C(=C1C)C)C=O CNP0307883.0 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.278 CC1=NC=C(C(=C1O)C)CO CNP0346238.0 [0,2,0,0,0,0|2,0,0]=4 441 B11R1.278 CCC1=CC=C(C(=C1O)C)C CNP0328437.0 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.278 COC1=C(N(C(=O)C=C1)O)C CNP0329943.0 [0,2,0,0,0,0|2,0,0]=4 443 B11R1.278 COC1=CC=C(C(=O)C1=O)C CNP0534932.0 [0,2,0,0,0,0|1,0,1]=4 444 B11R1.278 CO[C@@H]1COC(=C(C1=O)O)C CNP0350771.1 [0,2,0,0,0,0|0,0,2]=4 445 B11R1.278 O=C1C(=COC(=C1O)CO)O CNP0142148.0 [0,2,0,0,0,0|0,0,0]=2 446 B11R1.278 O=CC1=CC=C(C(=C1O)O)O CNP0080275.0 [0,2,0,0,0,0|2,0,0]=4 447 B11R1.14 CC1=CC(=CC(=C1O)C)C=O CNP0331607.0 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.14 COC1=CC(=C(C(=C1)C)O)C CNP0227213.0 [0,2,0,0,0,0|2,0,0]=4 449 B11R1.32 CC1=C(C(=C(C(=O)O1)C)O)C CNP0208216.0 [0,2,0,0,0,0|1,0,1]=4 450 B11R1.32 CC1=C(C(=O)C(=CC1=O)O)O CNP0111158.0 [0,2,0,0,0,0|1,0,0]=3 451 B11R1.32 CC1=C(C(=O)C=C(C1=O)O)O CNP0221051.0 [0,2,0,0,0,0|1,0,0]=3 452 B11R1.32 CC1=C(C=C(C(=C1O)C)O)O CNP0149570.0 [0,2,0,0,0,0|2,0,0]=4 453 B11R1.32 CC1=CC(=C(C(=C1C)C)O)C CNP0205719.0 [0,2,0,0,0,0|2,0,0]=4 454 B11R1.32 CC1=CC(=C(C(=C1C)C)O)O CNP0288515.0 [0,2,0,0,0,0|1,0,1]=4 455 B11R1.32 CC1=CC(=C(C(=C1C)O)C)C CNP0212055.0 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.32 CC1=CC(=C(C(=C1C)O)C)O CNP0324335.0 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.32 CC1=CC(=C(C(=C1O)C)C)O CNP0086369.0 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.32 CC1=CC(=C(C(=C1O)O)O)O CNP0166636.0 [0,2,0,0,0,0|1,0,1]=4 459 B11R1.32 CC1=CC(=O)C(=C(C1=O)C)C CNP0313155.0 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.32 CC1=CC(=O)C(=C(C1=O)O)C CNP0231654.0 [0,2,0,0,0,0|1,0,0]=3 461 B11R1.32 CC1=CC(=O)C(=C(C1=O)O)O CNP0207805.0 [0,2,0,0,0,0|2,0,0]=4 462 B11R1.464 CC1=C(C(=O)NC(=O)N1)CO CNP0360361.0 [0,2,0,0,0,0|2,0,0]=4 463 B11R1.464 COC1=C(C=C(C=C1C)C)C CNP0565570.0 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.156 CC1=CC=CC(=C1C(=O)O)C CNP0447536.0 [0,2,0,0,0,0|2,0,0]=4 465 B11R1.156 CC1=CC=CC(=C1C(=O)O)N CNP0474196.0 [0,2,0,0,0,0|2,0,0]=4 466 B11R1.156 CC1=CC=CC(=C1C(=O)O)O CNP0206449.0 [0,2,0,0,0,0|1,0,1]=4 467 B11R1.605 CC1=C(C(=O)C=CO1)C=CO CNP0337481.0 [0,2,0,0,0,0|0,0,0]=2 468 B11R1.605 CCOC1=C(C=CC=C1C)C CNP0305995.0 [0,2,0,0,0,0|2,0,0]=4 469 B9R1.41 CC(=O)C1=C(C=CO1)C CNP0146307.0 [0,0,1,1,0,0|1,0,1]=4 470 B9R1.41 CC(=O)C1=C(C=CO1)O CNP0270989.0 [0,0,1,1,0,0|0,0,2]=4 471 B9R1.41 CC1=C(C=CO1)C(=O)O CNP0152585.0 [0,0,1,1,0,0|2,0,0]=4 472 B9R1.41 CC1=C(OC=C1)C(=O)O CNP0566239.0 [0,0,1,1,0,0|2,0,0]=4 473 B9R1.41 CC1=C(OC=N1)C(=O)N CNP0037619.0 [0,0,1,1,0,0|2,0,0]=4 474 B9R1.5 O=C1C=CC=CC=C1O CNP0148494.0 [0,0,1,1,0,0|1,0,1]=4 475 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [0,0,1,1,0,0|2,0,0]=4 476 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [0,0,1,1,0,0|2,0,0]=4 477 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,1,0,0|2,0,0]=4 478 B11R2.104 CC1=CC=CC2=C1CC2=O CNP0057604.0 [0,1,0,1,0,0|2,0,0]=4 479 B11R2.106 CC1=C2N=NN=C2C=CO1 CNP0227639.0 [0,1,0,1,0,0|2,0,0]=4 480 B11R2.106 CC1=NC=CC2=C1ON=N2 CNP0263322.0 [0,1,0,1,0,0|2,0,0]=4 481 B11R2.106 CC1=NC=CC2=NON=C12 CNP0001003.0 [0,1,0,1,0,0|2,0,0]=4 482 B11R2.106 NC1=CC=CC2=C1OCO2 CNP0040687.0 [0,1,0,1,0,0|2,0,0]=4 483 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [1,0,0,0,1,0|1,0,1]=4 484 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [1,0,0,0,1,0|0,1,0]=3 485 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [1,0,0,0,1,0|0,2,0]=4 486 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [1,0,0,0,1,0|1,0,1]=4 487 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,0,1,0|0,0,2]=4 488 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [1,0,0,0,1,0|0,0,1]=3 489 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,0,1,0|1,0,1]=4 490 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [1,0,0,0,1,0|2,0,0]=4 491 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [1,0,0,0,1,0|2,0,0]=4 492 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [1,0,0,0,1,0|2,0,0]=4 493 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,0,1,0|1,0,1]=4 494 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [1,0,0,0,1,0|1,0,0]=3 495 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [1,0,0,0,1,0|2,0,0]=4 496 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [1,0,0,0,1,0|1,1,0]=4 497 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [1,0,0,0,1,0|2,0,0]=4 498 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,0,1,0|1,0,1]=4 499 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [1,0,0,0,1,0|1,0,1]=4 500 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [1,0,0,0,1,0|2,0,0]=4 501 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [1,0,0,0,1,0|2,0,0]=4 502 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [1,0,0,0,1,0|0,1,0]=3 503 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [1,0,0,0,1,0|0,2,0]=4 504 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [1,0,0,0,1,0|1,0,0]=3 505 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [1,0,0,0,1,0|2,0,0]=4 506 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [1,0,0,0,1,0|1,1,0]=4 507 B7R1.4 CN1CC=CC1=O CNP0611983.0 [1,0,0,0,1,0|2,0,0]=4 508 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [1,0,0,0,1,0|2,0,0]=4 509 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [1,0,0,0,1,0|1,0,1]=4 510 B7R1.15 O=C1C=C(C1=O)O CNP0313124.0 [0,0,0,0,2,0|1,0,1]=4