0 B8R1.4 BrC1=CN=CC(=C1)Br CNP0184336.0 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.4 CC1=CC(=CC=N1)O CNP0308761.0 [0,0,0,0,0,0|1,0,0]=1 2 B8R1.4 CC1=CC(=O)C=CN1 CNP0513735.0 [0,0,0,0,0,0|1,0,1]=2 3 B8R1.4 CC1=CC(=O)C=CO1 CNP0179458.0 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,0,0,0|2,0,2]=4 7 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,0,0,0,0,0|1,0,3]=4 8 B8R1.4 CC1=CC=CC(=C1)Br CNP0039148.0 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.4 CC1=CC=CC(=C1)C CNP0152592.0 [0,0,0,0,0,0|1,0,0]=1 10 B8R1.4 CC1=CC=CC(=C1)Cl CNP0583031.0 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.4 CC1=CC=CC(=C1)N CNP0300821.0 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.4 CC1=CC=CC(=C1)O CNP0355586.0 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.4 CC1=CC=CC(=N1)Br CNP0033684.0 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.4 CC1=CC=CC(=N1)C CNP0246832.0 [0,0,0,0,0,0|2,0,0]=2 15 B8R1.4 CC1=CC=CC(=N1)N CNP0039742.0 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.4 CC1=CC=C[N+](=C1)[O-] CNP0579325.0 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.4 CC1=CC=NC(=C1)C CNP0143367.0 [0,0,0,0,0,0|0,0,0]=0 18 B8R1.4 CC1=CC=NC(=C1)N CNP0425527.0 [0,0,0,0,0,0|1,0,0]=1 19 B8R1.4 CC1=CC=NC(=N1)N CNP0413539.0 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.4 CC1=CC=NC(=O)N1 CNP0522184.0 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.4 CC1=CC=[NH+]C(=C1)N CNP0513297.0 [0,0,0,0,0,0|1,0,1]=2 22 B8R1.4 CC1=CCCC(=C1)C CNP0118398.0 [0,0,0,0,0,0|1,0,1]=2 23 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.4 CC1=CN=CC(=C1)C CNP0366505.0 [0,0,0,0,0,0|2,0,0]=2 26 B8R1.4 CC1=CN=CC(=C1)O CNP0135310.0 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.4 CC1=CN=CC(=N1)C CNP0296461.0 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.4 CC1=CSCC(=O)N1 CNP0035027.0 [0,0,0,0,0,0|4,0,0]=4 29 B8R1.4 CC1=C[N+](=CC=N1)[O-] CNP0582367.0 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,0,0,0|2,0,2]=4 31 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,0,0,0|3,0,1]=4 32 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,0,0,0|3,0,1]=4 33 B8R1.4 ClC1=CC=CC(=C1)Cl CNP0080171.0 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.4 N=C1C=CN=C(N1)O CNP0571963.0 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.4 N=C1C=CNC(=N)N1 CNP0079987.0 [0,0,0,0,0,0|3,0,1]=4 36 B8R1.4 NC1=CC=CC(=C1)Cl CNP0066965.0 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.4 NC1=CC=CC(=C1)N CNP0033147.0 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.4 NC1=CC=CC(=C1)O CNP0172517.0 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.4 NC1=CC=NC(=N1)N CNP0488931.0 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.4 NC1=CC=NC(=N1)O CNP0547363.0 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.4 NC1=CC=NC(=O)N1 CNP0152195.0 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.4 NC1=NC(=O)C=CN1 CNP0262149.0 [0,0,0,0,0,0|3,0,1]=4 43 B8R1.4 NC1=NC(=O)NC=C1 CNP0547250.0 [0,0,0,0,0,0|3,0,1]=4 44 B8R1.4 NC1=NC=NC(=N1)N CNP0596829.0 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.4 O=C1C=CNC(=O)N1 CNP0289236.0 [0,0,0,0,0,0|3,0,1]=4 46 B8R1.4 O=C1C=CNC(=S)N1 CNP0267533.0 [0,0,0,0,0,0|3,0,1]=4 47 B8R1.4 O=C1C=COC(=O)O1 CNP0127081.0 [0,0,0,0,0,0|4,0,0]=4 48 B8R1.4 O=C1NC=CC(=S)N1 CNP0526922.0 [0,0,0,0,0,0|3,0,1]=4 49 B8R1.4 OC1=CC=CC(=C1)Cl CNP0109649.0 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.4 OC1=CC=CC(=C1)O CNP0414137.0 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.4 OC1=CC=NC(=N1)O CNP0482999.0 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.4 OC1=CC=NC(=N1)S CNP0482108.0 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.4 OC1=NC=CC(=N1)S CNP0275474.0 [0,0,0,0,0,0|3,0,0]=3 54 B8R1.4 OC1=NC=C[C@@H](N1)O CNP0520430.1 [0,0,0,0,0,0|3,0,1]=4 55 B8R1.4 [O-]C1=CC=CC(=C1)[O-] CNP0552554.0 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.4 [O-][N+]1=CC=NC(=C1)O CNP0482940.0 [0,0,0,0,0,0|3,0,0]=3 57 B8R1.4 [O]C1=NC=CC(=N1)O CNP0583301.0 [0,0,0,0,0,0|3,0,0]=3 58 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [1,0,0,0,0,0|2,0,0]=3 59 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [1,0,0,0,0,0|1,0,1]=3 60 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [1,0,0,0,0,0|1,0,0]=2 61 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [1,0,0,0,0,0|0,0,0]=1 62 B7R1.3 CC1=CC=CCC1 CNP0238161.0 [1,0,0,0,0,0|1,0,1]=3 63 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [1,0,0,0,0,0|2,0,0]=3 64 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [1,0,0,0,0,0|0,0,0]=1 65 B7R1.3 CC1=CC=NC=N1 CNP0609107.0 [1,0,0,0,0,0|1,0,0]=2 66 B7R1.3 CC1=CCC=CC1 CNP0481094.0 [1,0,0,0,0,0|1,0,1]=3 67 B7R1.3 CC1=CN=CC=N1 CNP0285763.0 [1,0,0,0,0,0|1,0,0]=2 68 B7R1.3 C[C@@H]1C=CC=CS1 CNP0200304.1 [1,0,0,0,0,0|1,0,1]=3 69 B7R1.3 C[C@H]1C=CC=CS1 CNP0200304.2 [1,0,0,0,0,0|1,0,1]=3 70 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.3 C[N+]1=CC=NC=C1 CNP0506920.0 [1,0,0,0,0,0|1,0,0]=2 72 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [1,0,0,0,0,0|1,0,0]=2 75 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [1,0,0,0,0,0|1,0,1]=3 76 B7R1.3 N=C1N=CC=CN1 CNP0547270.0 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [1,0,0,0,0,0|1,0,0]=2 79 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [1,0,0,0,0,0|1,0,0]=2 81 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [1,0,0,0,0,0|1,0,1]=3 82 B7R1.3 NC1=NC=CC=N1 CNP0050183.0 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.3 NC1=NCNC=C1 CNP0199694.0 [1,0,0,0,0,0|2,0,1]=4 84 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [1,0,0,0,0,0|1,0,1]=3 86 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.3 O=C1C=CC=NN1 CNP0517938.0 [1,0,0,0,0,0|2,0,1]=4 88 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [1,0,0,0,0,0|1,0,1]=3 89 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [1,0,0,0,0,0|2,0,0]=3 90 B7R1.3 O=C1C=NC=CN1 CNP0318297.0 [1,0,0,0,0,0|2,0,1]=4 91 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [1,0,0,0,0,0|1,0,0]=2 93 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [1,0,0,0,0,0|3,0,0]=4 94 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [1,0,0,0,0,0|1,0,0]=2 95 B7R1.3 OC1=NCCC=C1 CNP0563692.0 [1,0,0,0,0,0|1,0,2]=4 96 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [1,0,0,0,0,0|2,0,0]=3 97 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [1,0,0,0,0,0|1,0,0]=2 98 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [0,1,0,0,0,0|1,0,1]=3 99 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [0,1,0,0,0,0|1,0,1]=3 100 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [0,1,0,0,0,0|1,0,0]=2 101 B9R1.2 CC1=CC=CC(=N1)C#N CNP0366489.0 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.2 CC1=CC=CC(=N1)N=O CNP0355268.0 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.2 CC1=CC=NC(=C1)C#N CNP0068473.0 [0,1,0,0,0,0|0,0,1]=2 104 B9R1.2 CC1=CC=NC(=C1)N=O CNP0071207.0 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.2 CCC1=CC(=CC=N1)C CNP0220065.0 [0,1,0,0,0,0|0,0,0]=1 106 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [0,1,0,0,0,0|1,0,0]=2 107 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [0,1,0,0,0,0|2,0,0]=3 108 B9R1.2 CCC1=CC=CC(=N1)C CNP0315271.0 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.2 CCC1=CC=C[N+](=C1)[O-] CNP0497622.0 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.2 CCC1=CC=NC(=C1)C CNP0209249.0 [0,1,0,0,0,0|0,0,0]=1 111 B9R1.2 CCC1=CN=CC(=C1)C CNP0150046.0 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.2 CCC1=CN=CC(=N1)C CNP0156975.0 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.2 CNC1=CC=NC(=N1)O CNP0102905.0 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.2 COC1=CC(=O)OC=C1 CNP0507219.0 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.2 COC1=CN=CC(=N1)C CNP0002520.0 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.2 COC1=NC=CC(=N1)N CNP0207965.0 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.2 CSC1=CN=CC(=N1)C CNP0081006.0 [0,1,0,0,0,0|3,0,0]=4 122 B9R1.2 CSC1=NC(=O)C=CN1 CNP0247798.0 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.2 C[N+]1=CC=CC(=C1)C#N CNP0552740.0 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [0,1,0,0,0,0|2,0,1]=4 125 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [0,1,0,0,0,0|2,0,1]=4 126 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [0,1,0,0,0,0|2,0,1]=4 129 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.3 C=C1C=CC=C([C@@H]1N)C CNP0587426.1 [0,1,0,0,0,0|1,0,2]=4 132 B9R1.3 C=C1C=COC(=C1O)C CNP0335368.0 [0,1,0,0,0,0|1,0,1]=3 133 B9R1.3 CC1=C(C(=O)C=CN1)O CNP0416033.0 [0,1,0,0,0,0|1,0,1]=3 134 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.3 CC1=C(C(=O)C=CO1)[O-] CNP0589150.0 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.3 CC1=C(C=CC=C1Br)O CNP0597127.0 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.3 CC1=C(C=CC=C1Cl)N CNP0102945.0 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.3 CC1=C(C=CC=C1N)N CNP0199822.0 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.3 CC1=C(C=CC=C1O)O CNP0572969.0 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.3 CC1=C(C=COC1=O)O CNP0206261.0 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.3 CC1=C(OC=CC1=O)O CNP0163753.0 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.3 CC1=CC=CC(=C1C)C CNP0219925.0 [0,1,0,0,0,0|1,0,0]=2 143 B9R1.3 CC1=CC=CC(=C1C)N CNP0330285.0 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.3 CC1=CC=CC(=C1N)C CNP0261599.0 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.3 CC1=CC=CC(=C1O)C CNP0332594.0 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.3 CC1=CC=CC(=C1S)C CNP0032129.0 [0,1,0,0,0,0|1,0,0]=2 150 B9R1.3 CC1=CC=CC(=O)C1=O CNP0588286.0 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.3 CC1=CC=NC(=C1C)C CNP0326800.0 [0,1,0,0,0,0|0,0,0]=1 152 B9R1.3 CC1=CN=CC(=C1C)C CNP0297347.0 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.3 CN1C(=CC=NC1=O)N CNP0001922.0 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.3 CN1C(=NC=CC1=O)O CNP0557631.0 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,1,0,0,0,0|2,0,1]=4 156 B9R1.3 NC1=C(C=CC=C1Cl)Cl CNP0029750.0 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.3 NC1=CC=CC(=C1Cl)Cl CNP0079961.0 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.3 O=C1C=CC=C(C1=O)O CNP0358701.0 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.3 OC1=C(C=CC=C1Br)Br CNP0310547.0 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.3 OC1=C(C=CC=C1Cl)Cl CNP0231789.0 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.3 OC1=CC=CC(=C1Br)Br CNP0592928.0 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.3 OC1=CC=CC(=C1Cl)Cl CNP0060336.0 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.3 OC1=CC=CC(=C1O)O CNP0308187.0 [0,1,0,0,0,0|3,0,0]=4 164 B9R1.34 CC1=CC(=CC(=C1)Br)C CNP0313661.0 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.34 CC1=CC(=CC(=C1)Br)N CNP0191453.0 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.34 CC1=CC(=CC(=C1)C)C CNP0226551.0 [0,1,0,0,0,0|1,0,0]=2 167 B9R1.34 CC1=CC(=CC(=C1)Cl)Cl CNP0135847.0 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.34 CC1=CC(=CC(=C1)I)C CNP0302224.0 [0,1,0,0,0,0|1,0,0]=2 169 B9R1.34 CC1=CC(=CC(=C1)N)C CNP0206372.0 [0,1,0,0,0,0|1,0,0]=2 170 B9R1.34 CC1=CC(=CC(=C1)O)C CNP0206447.0 [0,1,0,0,0,0|1,0,0]=2 171 B9R1.34 CC1=CC(=CC(=C1)O)O CNP0300146.0 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.34 CC1=CC(=CC(=C1)S)C CNP0440794.0 [0,1,0,0,0,0|1,0,0]=2 173 B9R1.34 CC1=CC(=CC(=O)O1)O CNP0150285.0 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.34 CC1=CC(=NC(=C1)C)C CNP0261026.0 [0,1,0,0,0,0|0,0,0]=1 175 B9R1.34 CC1=CC(=NC(=C1)O)O CNP0028519.0 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.34 CC1=CC(=NC(=N1)Cl)C CNP0067917.0 [0,1,0,0,0,0|1,0,0]=2 177 B9R1.34 CC1=CC(=NC(=N1)N)C CNP0449380.0 [0,1,0,0,0,0|1,0,0]=2 178 B9R1.34 CC1=CC(=NC(=N1)S)O CNP0294316.0 [0,1,0,0,0,0|2,0,0]=3 179 B9R1.34 CC1=CC(=O)C=C(O1)O CNP0580633.0 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,1,0,0,0,0|1,0,2]=4 181 B9R1.34 CC1=CC(=O)NC(=S)N1 CNP0527451.0 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.34 CC1=CC(=S)C=C(O1)C CNP0070174.0 [0,1,0,0,0,0|2,0,0]=3 184 B9R1.34 ClC1=CC(=CC(=C1)Cl)Cl CNP0491812.0 [0,1,0,0,0,0|3,0,0]=4 185 B9R1.34 NC1=CC(=CC(=C1)N)N CNP0518662.0 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.34 NC1=CC(=CC(=N1)Cl)Cl CNP0352551.0 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.34 NC1=CC(=O)N=C(N1)N CNP0002356.0 [0,1,0,0,0,0|3,0,0]=4 188 B9R1.34 OC1=CC(=CC(=C1)Cl)Cl CNP0017796.0 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.34 OC1=CC(=CC(=C1)O)O CNP0299558.0 [0,1,0,0,0,0|3,0,0]=4 190 B9R1.69 C=C1C=C[C@@H](C(=C1)Cl)Cl CNP0546368.1 [0,1,0,0,0,0|2,0,1]=4 191 B9R1.69 C=C1C=NC(=NC1=N)C CNP0524346.0 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.69 CC1=C(NC(=O)N=C1)N CNP0315727.0 [0,1,0,0,0,0|3,0,0]=4 193 B9R1.69 CC1=CC(=C(C=N1)C)C CNP0375292.0 [0,1,0,0,0,0|0,0,0]=1 194 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [0,1,0,0,0,0|2,0,0]=3 196 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.69 CC1=CC(C=CC1O)O CNP0455439.0 [0,1,0,0,0,0|2,0,1]=4 206 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [0,1,0,0,0,0|1,0,0]=2 209 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [0,1,0,0,0,0|1,0,0]=2 210 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [0,1,0,0,0,0|1,0,0]=2 211 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [0,1,0,0,0,0|1,0,0]=2 212 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [0,1,0,0,0,0|1,0,0]=2 213 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [0,1,0,0,0,0|2,0,0]=3 219 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [0,1,0,0,0,0|2,0,0]=3 223 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [0,1,0,0,0,0|2,0,0]=3 224 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [0,1,0,0,0,0|2,0,0]=3 225 B9R1.69 CC1=CC=C(C(=N1)C)C CNP0390721.0 [0,1,0,0,0,0|2,0,0]=3 226 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [0,1,0,0,0,0|2,0,0]=3 227 B9R1.69 CC1=CC=C(C(=N1)Cl)N CNP0043466.0 [0,1,0,0,0,0|3,0,0]=4 228 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [0,1,0,0,0,0|3,0,0]=4 229 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [0,1,0,0,0,0|2,0,0]=3 230 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [0,1,0,0,0,0|2,0,0]=3 231 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [0,1,0,0,0,0|2,0,0]=3 232 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [0,1,0,0,0,0|2,0,0]=3 233 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [0,1,0,0,0,0|3,0,0]=4 234 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [0,1,0,0,0,0|3,0,0]=4 235 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [0,1,0,0,0,0|3,0,0]=4 236 B9R1.69 CC1=CN=C(C(=C1)C)C CNP0331632.0 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.69 CC1=CN=C(C(=C1)Cl)Br CNP0177235.0 [0,1,0,0,0,0|3,0,0]=4 238 B9R1.69 CC1=CN=C(C(=N1)C)C CNP0313440.0 [0,1,0,0,0,0|3,0,0]=4 239 B9R1.69 CC1=CN=C(N=C1O)O CNP0517257.0 [0,1,0,0,0,0|3,0,0]=4 240 B9R1.69 CC1=CN=[11C](N=C1O)O CNP0546373.0 [0,1,0,0,0,0|3,0,0]=4 241 B9R1.69 CC1=CNC(=O)C=C1O CNP0017901.0 [0,1,0,0,0,0|2,0,1]=4 242 B9R1.69 CC1=C[N+](=C(C=N1)C)[O-] CNP0514079.0 [0,1,0,0,0,0|2,0,0]=3 243 B9R1.69 CC1=C[N+](=CC=[N+]1[O-])[O-] CNP0596721.0 [0,1,0,0,0,0|2,0,1]=4 244 B9R1.69 CC1=NC=C(C(=N1)N)C CNP0518359.0 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.69 C[N+]1=CC(=CC=C1N)I CNP0606794.0 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.69 ClC1=CC=C(C(=C1)Cl)Cl CNP0206286.0 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.69 NC1=CC(=CC=C1Cl)Cl CNP0040093.0 [0,1,0,0,0,0|3,0,0]=4 249 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [0,1,0,0,0,0|3,0,0]=4 250 B9R1.69 NC1=CC(=CC=C1S)Cl CNP0458275.0 [0,1,0,0,0,0|3,0,0]=4 251 B9R1.69 NC1=CC=C(C(=C1)N)N CNP0131312.0 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [0,1,0,0,0,0|3,0,0]=4 253 B9R1.69 NC1=CC=C(C=C1Br)Br CNP0063783.0 [0,1,0,0,0,0|3,0,0]=4 254 B9R1.69 NC1=CC=C(C=C1Cl)Cl CNP0048955.0 [0,1,0,0,0,0|3,0,0]=4 255 B9R1.69 O=C1C=C(C(=CN1)Cl)O CNP0569686.0 [0,1,0,0,0,0|2,0,1]=4 256 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [0,1,0,0,0,0|3,0,0]=4 257 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [0,1,0,0,0,0|3,0,0]=4 258 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [0,1,0,0,0,0|3,0,0]=4 259 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [0,1,0,0,0,0|3,0,0]=4 260 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [0,1,0,0,0,0|3,0,0]=4 261 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [0,1,0,0,0,0|3,0,0]=4 262 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [0,1,0,0,0,0|3,0,0]=4 263 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [0,1,0,0,0,0|3,0,0]=4 264 B9R1.69 OC1=NC=C(C(=N1)O)O CNP0090439.0 [0,1,0,0,0,0|3,0,0]=4 265 B7R0.2 C=NN(C)C=C(C)N CNP0345001.0 [0,0,1,0,0,0|2,0,0]=3 266 B7R0.2 CC(=CC(C)C)C=O CNP0076574.0 [0,0,1,0,0,0|2,0,1]=4 267 B7R0.2 CC(=O)CC(=NO)C CNP0221601.0 [0,0,1,0,0,0|2,0,1]=4 268 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [0,0,1,0,0,0|1,0,2]=4 269 B7R0.2 COC(=CC(=O)C)C CNP0350005.0 [0,0,1,0,0,0|2,0,1]=4 270 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [0,0,1,0,0,0|1,0,0]=2 271 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [0,0,1,0,0,0|1,0,1]=3 272 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [0,0,1,0,0,0|2,0,0]=3 273 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [0,0,1,0,0,0|3,0,0]=4 274 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [0,0,1,0,0,0|2,0,1]=4 275 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [0,0,1,0,0,0|2,0,1]=4 276 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,0,1,0,0,0|1,0,1]=3 277 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [0,0,1,0,0,0|1,0,0]=2 278 B7R0.7 CC=CC(=O)N=C=S CNP0131331.0 [0,0,1,0,0,0|2,0,1]=4 279 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [0,0,0,0,1,0|2,0,1]=4 280 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [0,0,0,0,1,0|2,0,0]=3 281 B7R1.2 CC1=CC(=CS1)S CNP0155844.0 [0,0,0,0,1,0|2,0,0]=3 282 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [0,0,0,0,1,0|2,0,0]=3 283 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [0,0,0,0,1,0|1,0,2]=4 284 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [0,0,0,0,1,0|2,0,1]=4 285 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [0,0,0,0,1,0|2,0,1]=4 286 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [0,0,0,0,1,0|1,0,2]=4 287 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [0,0,0,0,1,0|1,0,0]=2 288 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [0,0,0,0,1,0|1,0,0]=2 289 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [0,0,0,0,1,0|1,0,0]=2 290 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [0,0,0,0,1,0|2,0,1]=4 291 B7R1.2 CC1=CN(C=N1)C CNP0371299.0 [0,0,0,0,1,0|1,0,0]=2 292 B7R1.2 CC1=CN=C(N1)C CNP0491637.0 [0,0,0,0,1,0|1,0,0]=2 293 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [0,0,0,0,1,0|1,0,0]=2 294 B7R1.2 CC1=CN=C(S1)C CNP0104615.0 [0,0,0,0,1,0|1,0,0]=2 295 B7R1.2 CC1=CNC(=N1)C CNP0266432.0 [0,0,0,0,1,0|1,0,1]=3 296 B7R1.2 CC1=CNC(=N1)N CNP0282776.0 [0,0,0,0,1,0|2,0,1]=4 297 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [0,0,0,0,1,0|1,0,0]=2 298 B7R1.2 CC1=COC(=N1)C CNP0003151.0 [0,0,0,0,1,0|2,0,0]=3 299 B7R1.2 CC1=CSC(=C1)C CNP0354538.0 [0,0,0,0,1,0|1,0,0]=2 300 B7R1.2 CC1=CSC(=N1)C CNP0325740.0 [0,0,0,0,1,0|2,0,0]=3 301 B7R1.2 CC1=NC[C@@H](N1)C CNP0268657.1 [0,0,0,0,1,0|1,0,2]=4 302 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [0,0,0,0,1,0|2,0,0]=3 303 B7R1.2 CC1=NN=C(O1)C CNP0476751.0 [0,0,0,0,1,0|2,0,0]=3 304 B7R1.2 CC1=NN=C(S1)N CNP0022824.0 [0,0,0,0,1,0|3,0,0]=4 305 B7R1.2 CC1=NN=C(S1)S CNP0444982.0 [0,0,0,0,1,0|3,0,0]=4 306 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [0,0,0,0,1,0|1,0,0]=2 307 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [0,0,0,0,1,0|2,0,1]=4 308 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [0,0,0,0,1,0|1,0,2]=4 309 B7R1.2 C[N+]1=NSC(=C1)Cl CNP0555762.0 [0,0,0,0,1,0|3,0,0]=4 310 B7R1.2 NC1=CN(C=N1)P CNP0206398.0 [0,0,0,0,1,0|3,0,0]=4 311 B7R1.2 O=C1C=CC(=O)C1 CNP0421080.0 [0,0,0,0,1,0|2,0,1]=4 312 B7R1.2 O=C1C=CC(=O)N1 CNP0413509.0 [0,0,0,0,1,0|3,0,0]=4 313 B7R1.2 O=C1C=CC(=O)O1 CNP0609075.0 [0,0,0,0,1,0|3,0,0]=4 314 B7R1.4 BrC1=C(NC=C1)Br CNP0316890.0 [0,0,0,0,1,0|2,0,1]=4 315 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [0,0,0,0,1,0|2,0,0]=3 316 B7R1.4 CC1=C(C=CS1)S CNP0337340.0 [0,0,0,0,1,0|2,0,0]=3 317 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [0,0,0,0,1,0|1,0,2]=4 318 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [0,0,0,0,1,0|1,0,0]=2 319 B7R1.4 CC1=C(OC=N1)C CNP0381146.0 [0,0,0,0,1,0|1,0,0]=2 320 B7R1.4 CC1=C(SC=C1)C CNP0003149.0 [0,0,0,0,1,0|1,0,0]=2 321 B7R1.4 CC1=C(SC=N1)C CNP0003150.0 [0,0,0,0,1,0|1,0,0]=2 322 B7R1.4 CC1=CCCC1=O CNP0196465.0 [0,0,0,0,1,0|2,0,1]=4 323 B7R1.4 CC1=CCOC1=O CNP0216253.0 [0,0,0,0,1,0|2,0,1]=4 324 B7R1.4 CC1=CN=CN1C CNP0283331.0 [0,0,0,0,1,0|3,0,0]=4 325 B7R1.4 CC1=CSC=C1C CNP0084292.0 [0,0,0,0,1,0|2,0,0]=3 326 B7R1.4 CC1=NC=CN1C CNP0511652.0 [0,0,0,0,1,0|1,0,0]=2 327 B7R1.4 CC1=NCNC1=O CNP0353390.0 [0,0,0,0,1,0|2,0,1]=4 328 B7R1.4 CN1C=CN=C1N CNP0308541.0 [0,0,0,0,1,0|2,0,0]=3 329 B7R1.4 CN1C=CN=C1S CNP0605467.0 [0,0,0,0,1,0|2,0,0]=3 330 B7R1.4 CN1C=CNC1=S CNP0156475.0 [0,0,0,0,1,0|2,0,1]=4 331 B7R1.4 CN1CC=CC1=O CNP0611983.0 [0,0,0,0,1,0|3,0,0]=4 332 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [0,0,0,0,1,0|3,0,0]=4 333 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [0,0,0,0,1,0|3,0,0]=4 334 B9R1.48 CC1=CC=CC=C(O1)C CNP0612010.0 [0,0,0,0,0,1|2,0,0]=3 335 B6R0.1 C=CC=C(C)C=C CNP0076815.0 [1,0,1,0,0,0|0,0,1]=3 336 B6R0.1 C=CC=C(C)CO CNP0191364.0 [1,0,1,0,0,0|2,0,0]=4 337 B6R0.1 CC=CC(=CC)C CNP0535908.0 [1,0,1,0,0,0|0,0,1]=3 338 B6R0.1 CCC=C(C)C=O CNP0245615.0 [1,0,1,0,0,0|1,0,1]=4 339 B6R0.2 C=C(C)CC(=O)C CNP0331918.0 [1,0,1,0,0,0|1,0,1]=4 340 B6R0.2 CC(=C[13C](=O)C)C CNP0541964.0 [1,0,1,0,0,0|1,0,1]=4 341 B6R0.2 CC(=N)CC(=O)C CNP0178786.0 [1,0,1,0,0,0|1,0,1]=4 342 B6R0.2 CC(=O)C=C(C)C CNP0258331.0 [1,0,1,0,0,0|1,0,1]=4 343 B6R0.2 CC(=O)C=C(C)O CNP0344390.0 [1,0,1,0,0,0|2,0,0]=4 344 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [1,0,1,0,0,0|2,0,0]=4 345 B6R0.4 CC=CC=C(C)C CNP0318303.0 [1,0,1,0,0,0|0,0,1]=3 346 B6R0.4 CCC=CC(=O)C CNP0129352.0 [1,0,1,0,0,0|1,0,1]=4 347 B6R0.6 C=CC#CC=CC CNP0360102.0 [1,0,1,0,0,0|1,0,1]=4 348 B6R0.6 C=CC=CC=CC CNP0610379.0 [1,0,1,0,0,0|1,0,0]=3 349 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,1,0,0,0|1,0,1]=4 350 B6R0.6 C=CCCC=CC CNP0426808.0 [1,0,1,0,0,0|1,0,1]=4 351 B6R0.6 CC=CC=CC=O CNP0182801.0 [1,0,1,0,0,0|1,0,0]=3 352 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,1,0,0,0|1,0,1]=4 353 B6R0.6 CC=CC=CCO CNP0292375.0 [1,0,1,0,0,0|1,0,1]=4 354 B6R0.6 CC=COC=CC CNP0612224.0 [1,0,1,0,0,0|2,0,0]=4 355 B6R0.6 CC=CSC=CC CNP0002507.0 [1,0,1,0,0,0|2,0,0]=4 356 B6R1.1 C1=CC=CC=C1 CNP0140642.0 [2,0,0,0,0,0|1,0,0]=3 357 B6R1.1 C1=CC=NC=C1 CNP0160377.0 [2,0,0,0,0,0|0,0,0]=2 358 B6R1.1 C1=CC=[GeH]C=C1 CNP0610073.0 [2,0,0,0,0,0|1,0,0]=3 359 B6R1.1 C1=CCC=CC1 CNP0508932.0 [2,0,0,0,0,0|1,0,1]=4 360 B6R1.1 C1=CCCC=C1 CNP0267898.0 [2,0,0,0,0,0|1,0,1]=4 361 B6R1.1 C1=CCN=CC1 CNP0062927.0 [2,0,0,0,0,0|0,0,2]=4 362 B6R1.1 C1=CCNC=C1 CNP0081217.0 [2,0,0,0,0,0|0,0,2]=4 363 B6R1.1 C1=CCOC=C1 CNP0513975.0 [2,0,0,0,0,0|1,0,1]=4 364 B6R1.1 C1=CC[IH]C=C1 CNP0564978.0 [2,0,0,0,0,0|1,0,1]=4 365 B6R1.1 C1=CN=CC=N1 CNP0190332.0 [2,0,0,0,0,0|1,0,0]=3 366 B6R1.1 C1=CN=CN=C1 CNP0415803.0 [2,0,0,0,0,0|1,0,0]=3 367 B6R1.1 C1=CNCN=C1 CNP0472134.0 [2,0,0,0,0,0|1,0,1]=4 368 B6R1.1 C1=CSSC=C1 CNP0509445.0 [2,0,0,0,0,0|2,0,0]=4 369 B6R1.1 [C]1=CC=CC=C1 CNP0517520.0 [2,0,0,0,0,0|1,0,0]=3 370 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,1,1,0,0,0|1,0,1]=4 371 B8R0.19 CC=C(C)C=C(C)CO CNP0307713.0 [0,1,1,0,0,0|1,0,1]=4 372 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,1,1,0,0,0|2,0,0]=4 373 B8R0.7 CC=CC=CC=C(C)C CNP0533227.0 [0,1,1,0,0,0|1,0,1]=4 374 B8R0.7 CC=CCC=CC(=O)C CNP0611711.0 [0,1,1,0,0,0|2,0,0]=4 375 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [0,1,1,0,0,0|2,0,0]=4 376 B8R0.28 C=C(C)C=CCC(=C)C CNP0611898.0 [0,1,1,0,0,0|1,0,0]=3 377 B8R0.28 C=C(C)CCC=C(C)C CNP0075848.0 [0,1,1,0,0,0|1,0,1]=4 378 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [0,1,1,0,0,0|1,0,1]=4 379 B8R0.1 C=CCOC(=O)C=CC CNP0018156.0 [0,1,1,0,0,0|2,0,0]=4 380 B8R1.2 BrCC1=CN=CC=N1 CNP0076953.0 [1,1,0,0,0,0|1,0,0]=3 381 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [1,1,0,0,0,0|1,0,1]=4 382 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [1,1,0,0,0,0|1,0,1]=4 383 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [1,1,0,0,0,0|0,0,1]=3 384 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [1,1,0,0,0,0|1,0,1]=4 385 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,1,0,0,0,0|1,0,0]=3 386 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,1,0,0,0,0|0,0,0]=2 387 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,1,0,0,0,0|2,0,0]=4 388 B8R1.2 CCC1=CN=CC=N1 CNP0259600.0 [1,1,0,0,0,0|1,0,0]=3 389 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [1,1,0,0,0,0|2,0,0]=4 390 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,1,0,0,0,0|1,0,0]=3 391 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,1,0,0,0,0|1,0,0]=3 392 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,1,0,0,0,0|0,0,0]=2 393 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [1,1,0,0,0,0|1,0,0]=3 395 B8R1.2 COC1=CN=CC=N1 CNP0003478.0 [1,1,0,0,0,0|1,0,0]=3 396 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,1,0,0,0,0|1,0,0]=3 397 B8R1.2 CSC1=CN=CC=N1 CNP0003124.0 [1,1,0,0,0,0|1,0,0]=3 398 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [1,1,0,0,0,0|1,0,0]=3 399 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [1,1,0,0,0,0|1,0,1]=4 400 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,1,0,0,0,0|0,0,1]=3 401 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [1,1,0,0,0,0|0,0,1]=3 402 B8R1.2 N#CC1=CN=CC=N1 CNP0023913.0 [1,1,0,0,0,0|1,0,1]=4 403 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [1,1,0,0,0,0|1,0,0]=3 404 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,1,0,0,0,0|0,0,0]=2 405 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [1,1,0,0,0,0|2,0,0]=4 407 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [1,1,0,0,0,0|1,0,1]=4 408 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,1,0,0,0,0|0,0,1]=3 409 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [1,1,0,0,0,0|2,0,0]=4 410 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,1,0,0,0,0|1,0,0]=3 411 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [1,1,0,0,0,0|1,0,0]=3 412 B8R1.2 OCC1=CC=CCC1 CNP0584064.0 [1,1,0,0,0,0|1,0,1]=4 413 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [1,1,0,0,0,0|2,0,0]=4 414 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [1,1,0,0,0,0|0,0,0]=2 415 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [1,1,0,0,0,0|1,0,1]=4 416 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [1,1,0,0,0,0|1,0,0]=3 417 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,1,0,0,0,0|0,0,0]=2 418 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,1,0,0,0,0|2,0,0]=4 419 B8R1.2 SCC1=CN=CC=N1 CNP0229809.0 [1,1,0,0,0,0|1,0,0]=3 420 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [1,1,0,0,0,0|1,0,0]=3 421 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [1,1,0,0,0,0|1,0,0]=3 422 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [1,1,0,0,0,0|1,0,1]=4 424 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [1,1,0,0,0,0|1,0,0]=3 425 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [1,1,0,0,0,0|1,0,0]=3 426 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [1,1,0,0,0,0|1,0,0]=3 427 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [1,1,0,0,0,0|1,0,0]=3 428 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [1,1,0,0,0,0|1,0,0]=3 429 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [1,1,0,0,0,0|1,0,0]=3 430 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [1,1,0,0,0,0|0,0,0]=2 431 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [1,1,0,0,0,0|0,0,0]=2 432 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [1,1,0,0,0,0|0,0,0]=2 433 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [1,1,0,0,0,0|1,0,0]=3 434 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [1,1,0,0,0,0|1,0,0]=3 435 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [1,1,0,0,0,0|1,0,1]=4 436 B8R1.3 CC1=CN=C(C=N1)C CNP0257272.0 [1,1,0,0,0,0|1,0,0]=3 437 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [1,1,0,0,0,0|1,0,1]=4 438 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [1,1,0,0,0,0|1,0,1]=4 439 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [1,1,0,0,0,0|2,0,0]=4 440 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [1,1,0,0,0,0|2,0,0]=4 441 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [1,1,0,0,0,0|2,0,0]=4 442 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [1,1,0,0,0,0|2,0,0]=4 443 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [1,1,0,0,0,0|2,0,0]=4 444 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [1,1,0,0,0,0|1,0,0]=3 445 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [1,1,0,0,0,0|1,0,0]=3 446 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [1,1,0,0,0,0|1,0,0]=3 447 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [1,1,0,0,0,0|1,0,1]=4 448 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [1,1,0,0,0,0|2,0,0]=4 449 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [1,1,0,0,0,0|2,0,0]=4 451 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [1,1,0,0,0,0|2,0,0]=4 452 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [1,1,0,0,0,0|2,0,0]=4 453 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [1,1,0,0,0,0|2,0,0]=4 454 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [1,1,0,0,0,0|1,0,0]=3 455 B8R1.5 C=C1[CH]C=CC=C1C CNP0546829.0 [1,1,0,0,0,0|1,0,1]=4 456 B8R1.5 CC1=C(CC=CC1)C CNP0076227.0 [1,1,0,0,0,0|1,0,1]=4 457 B8R1.5 CC1=CC=CC=C1Br CNP0035566.0 [1,1,0,0,0,0|1,0,0]=3 458 B8R1.5 CC1=CC=CC=C1C CNP0365784.0 [1,1,0,0,0,0|1,0,0]=3 459 B8R1.5 CC1=CC=CC=C1Cl CNP0335361.0 [1,1,0,0,0,0|1,0,0]=3 460 B8R1.5 CC1=CC=CC=C1N CNP0178803.0 [1,1,0,0,0,0|1,0,0]=3 461 B8R1.5 CC1=CC=CC=C1O CNP0242840.0 [1,1,0,0,0,0|1,0,0]=3 462 B8R1.5 CC1=CC=CC=C1S CNP0309831.0 [1,1,0,0,0,0|1,0,0]=3 463 B8R1.5 CC1=CC=CC=[N+]1C CNP0553099.0 [1,1,0,0,0,0|0,0,1]=3 464 B8R1.5 CC1=CC=CC=[N+]1[O-] CNP0511667.0 [1,1,0,0,0,0|0,0,1]=3 465 B8R1.5 CC1=CC=CN=C1C CNP0151242.0 [1,1,0,0,0,0|0,0,0]=2 466 B8R1.5 CC1=CC=CN=C1N CNP0505128.0 [1,1,0,0,0,0|1,0,0]=3 467 B8R1.5 CC1=CC=C[NH+]=C1N CNP0549558.0 [1,1,0,0,0,0|1,0,1]=4 468 B8R1.5 CC1=CC=NC=C1C CNP0275303.0 [1,1,0,0,0,0|0,0,0]=2 469 B8R1.5 CC1=CC=NC=C1N CNP0236716.0 [1,1,0,0,0,0|0,0,0]=2 470 B8R1.5 CC1=CN=CC=[N+]1[O-] CNP0547202.0 [1,1,0,0,0,0|1,0,1]=4 471 B8R1.5 CC1=NC=CC=C1O CNP0418507.0 [1,1,0,0,0,0|0,0,0]=2 472 B8R1.5 CC1=NC=CN=C1C CNP0119963.0 [1,1,0,0,0,0|1,0,0]=3 473 B8R1.5 ClC1=CC=CC=C1Cl CNP0284887.0 [1,1,0,0,0,0|2,0,0]=4 474 B8R1.5 N=C1C=CNC=C1N CNP0546227.0 [1,1,0,0,0,0|1,0,1]=4 475 B8R1.5 NC1=CC=CC=C1Br CNP0295031.0 [1,1,0,0,0,0|2,0,0]=4 476 B8R1.5 NC1=CC=CC=C1N CNP0232275.0 [1,1,0,0,0,0|2,0,0]=4 477 B8R1.5 NC1=CC=CC=C1O CNP0115137.0 [1,1,0,0,0,0|2,0,0]=4 478 B8R1.5 NC1=CC=CC=C1S CNP0083879.0 [1,1,0,0,0,0|2,0,0]=4 479 B8R1.5 NC1=CC=CN=C1Cl CNP0096813.0 [1,1,0,0,0,0|1,0,0]=3 480 B8R1.5 NC1=CN=CC=C1I CNP0081944.0 [1,1,0,0,0,0|1,0,0]=3 481 B8R1.5 O=C1C=CC=CC1=O CNP0309111.0 [1,1,0,0,0,0|2,0,0]=4 482 B8R1.5 O=C1C=CCC=C1O CNP0560107.0 [1,1,0,0,0,0|2,0,0]=4 483 B8R1.5 O=C1C=CNC=C1O CNP0258387.0 [1,1,0,0,0,0|1,0,1]=4 484 B8R1.5 O=C1C=COC=C1O CNP0116604.0 [1,1,0,0,0,0|2,0,0]=4 485 B8R1.5 O=C1NC=CC=C1O CNP0598897.0 [1,1,0,0,0,0|1,0,1]=4 486 B8R1.5 O=C1OC=CC=C1O CNP0103332.0 [1,1,0,0,0,0|2,0,0]=4 487 B8R1.5 OC1=CC=CC=C1Br CNP0083000.0 [1,1,0,0,0,0|2,0,0]=4 488 B8R1.5 OC1=CC=CC=C1Cl CNP0071171.0 [1,1,0,0,0,0|2,0,0]=4 489 B8R1.5 OC1=CC=CC=C1O CNP0143972.0 [1,1,0,0,0,0|2,0,0]=4 490 B8R1.5 OC1=CC=CN=C1I CNP0061816.0 [1,1,0,0,0,0|1,0,0]=3 491 B8R1.5 OC1=CC=CN=C1O CNP0082051.0 [1,1,0,0,0,0|1,0,0]=3 492 B8R1.5 OC1=CC=NC=C1O CNP0510670.0 [1,1,0,0,0,0|1,0,0]=3 493 B8R1.5 ON1C=CC=CC1=S CNP0586487.0 [1,1,0,0,0,0|1,0,1]=4 494 B8R1.5 O[14C]1=[14CH][14CH]=[14CH][14CH]=[14C]1O CNP0513395.0 [1,1,0,0,0,0|2,0,0]=4 495 B8R1.5 [CH2]C1=CC=CC=C1C CNP0593977.0 [1,1,0,0,0,0|1,0,0]=3 496 B8R1.5 [O-]N1C=CC=CC1=S CNP0491195.0 [1,1,0,0,0,0|1,0,1]=4 497 B8R1.5 [O-]N1C=CC=CC1=S CNP0532331.0 [1,1,0,0,0,0|1,0,1]=4 498 B8R1.5 [O-][N+]1=CC=CC=C1S CNP0592307.0 [1,1,0,0,0,0|1,0,1]=4 499 B8R1.1 CC1=CC(=NO1)C#N CNP0371806.0 [0,1,0,0,1,0|1,0,1]=4 500 B8R1.1 CC1=CC(=NO1)N=O CNP0071254.0 [0,1,0,0,1,0|2,0,0]=4 501 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,1,0,0,1,0|1,0,1]=4 502 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,1,0,0,1,0|1,0,1]=4 503 B8R1.1 CC1=CC=C(O1)CO CNP0526210.0 [0,1,0,0,1,0|1,0,0]=3 504 B8R1.1 CC1=CC=C(O1)CS CNP0002606.0 [0,1,0,0,1,0|1,0,0]=3 505 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,1,0,0,1,0|1,0,1]=4 506 B8R1.1 CC=C1C=C(CC1)C CNP0076579.0 [0,1,0,0,1,0|0,0,2]=4 507 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,1,0,0,1,0|2,0,0]=4 508 B8R1.1 CCC1=CC=C(O1)C CNP0251701.0 [0,1,0,0,1,0|1,0,0]=3 509 B8R1.1 CCC1=CC=C(S1)C CNP0003636.0 [0,1,0,0,1,0|1,0,0]=3 510 B8R1.1 CCC1=CN=C(O1)C CNP0152176.0 [0,1,0,0,1,0|1,0,0]=3 511 B8R1.1 CCC1=CN=C(S1)C CNP0292618.0 [0,1,0,0,1,0|1,0,0]=3 512 B8R1.1 CCC1=COC(=N1)C CNP0278246.0 [0,1,0,0,1,0|2,0,0]=4 513 B8R1.1 CCC1=CSC(=N1)C CNP0003637.0 [0,1,0,0,1,0|2,0,0]=4 514 B8R1.1 CCC1=NC(=CN1)C CNP0602614.0 [0,1,0,0,1,0|1,0,1]=4 515 B8R1.1 CCC1=NC(=CO1)C CNP0181299.0 [0,1,0,0,1,0|2,0,0]=4 516 B8R1.1 CCC1=NC(=CS1)C CNP0003638.0 [0,1,0,0,1,0|2,0,0]=4 517 B8R1.1 CCC1=NC=C(O1)C CNP0010332.0 [0,1,0,0,1,0|1,0,0]=3 518 B8R1.1 COC1=CN=C(S1)C CNP0335219.0 [0,1,0,0,1,0|1,0,0]=3 519 B8R1.1 CSC1=CC=C(O1)C CNP0304917.0 [0,1,0,0,1,0|1,0,0]=3 520 B8R1.1 CSC1=CC=C(S1)C CNP0231852.0 [0,1,0,0,1,0|1,0,0]=3 521 B8R1.1 NCC1=CC(=NO1)O CNP0352634.0 [0,1,0,0,1,0|2,0,0]=4 522 B8R1.18 CC1=C(N=C(S1)N)S CNP0440681.0 [0,1,0,0,1,0|2,0,0]=4 523 B8R1.18 CC1=C(SC(=N1)N)C CNP0252121.0 [0,1,0,0,1,0|2,0,0]=4 524 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [0,1,0,0,1,0|0,0,1]=3 525 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [0,1,0,0,1,0|1,0,0]=3 526 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [0,1,0,0,1,0|1,0,0]=3 527 B8R1.18 CC1=CC(=O)NC1=O CNP0134947.0 [0,1,0,0,1,0|1,0,1]=4 528 B8R1.18 CC1=CC(=O)OC1=O CNP0323366.0 [0,1,0,0,1,0|2,0,0]=4 529 B8R1.18 CC1=C[C@@H](N=C1O)O CNP0545516.1 [0,1,0,0,1,0|1,0,1]=4 530 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [0,1,0,0,1,0|1,0,1]=4 531 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [0,1,0,0,1,0|1,0,1]=4 532 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [0,1,0,0,1,0|1,0,0]=3 533 B8R1.18 CC1=NC(=C(S1)C)C CNP0077136.0 [0,1,0,0,1,0|1,0,0]=3 534 B8R1.18 O=C1N=C(C=C1Br)O CNP0598689.0 [0,1,0,0,1,0|2,0,0]=4 535 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [0,1,0,0,1,0|0,0,1]=3 536 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [0,1,0,0,1,0|0,0,2]=4 537 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [0,1,0,0,1,0|0,0,2]=4 538 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [0,1,0,0,1,0|2,0,0]=4 539 B8R1.11 C=CC1=C(N=CS1)C CNP0003337.0 [0,1,0,0,1,0|1,0,1]=4 540 B8R1.11 CC1=C(OC=N1)C#N CNP0043637.0 [0,1,0,0,1,0|1,0,1]=4 541 B8R1.11 CC1=C(SC=C1)C=O CNP0610341.0 [0,1,0,0,1,0|1,0,1]=4 542 B8R1.11 CCC1=C(N=CO1)C CNP0117733.0 [0,1,0,0,1,0|1,0,0]=3 543 B8R1.11 CCC1=C(SC=N1)C CNP0079920.0 [0,1,0,0,1,0|1,0,0]=3 544 B8R1.11 CSC1=C(OC=C1)C CNP0148789.0 [0,1,0,0,1,0|1,0,0]=3 545 B8R1.11 NCC1=CON=C1O CNP0204327.0 [0,1,0,0,1,0|2,0,0]=4 546 B10R1.302 CC1=CC=CC(C=C1)(C)C CNP0418898.0 [0,1,0,0,0,1|1,0,1]=4 547 B10R1.332 CC1=C(C=CC(=O)C=C1)Cl CNP0070609.0 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.2 CC1=CC=CC(=C1C)C#N CNP0139053.0 [0,2,0,0,0,0|1,0,1]=4 549 B10R1.2 CC1=CC=CC(=C1C)C=O CNP0501818.0 [0,2,0,0,0,0|1,0,1]=4 550 B10R1.2 CCC1=C(C(=O)C=CO1)O CNP0197022.0 [0,2,0,0,0,0|2,0,0]=4 551 B10R1.2 CCC1=CC=CC(=C1C)C CNP0183405.0 [0,2,0,0,0,0|1,0,0]=3 552 B10R1.2 CCC1=CC=CC(=C1O)C CNP0284386.0 [0,2,0,0,0,0|1,0,0]=3 553 B10R1.2 CCC1=CC=CC(=C1O)O CNP0002512.0 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.2 COC1=CC=CC(=C1C)C CNP0198695.0 [0,2,0,0,0,0|1,0,0]=3 555 B10R1.2 COC1=CC=CC(=C1N)C CNP0448107.0 [0,2,0,0,0,0|1,0,0]=3 556 B10R1.2 COC1=CC=CC(=C1O)I CNP0386670.0 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.2 COC1=CC=CC(=C1O)O CNP0330888.0 [0,2,0,0,0,0|2,0,0]=4 558 B10R1.2 COC1=CC=CC(=O)C1=O CNP0358042.0 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.2 O=C1C=COC(=C1O)CO CNP0298786.0 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.2 OCC1=CC=CC(=C1O)O CNP0210787.0 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.2 [2H]C1=CC=CC(=C1O)OC CNP0538068.0 [0,2,0,0,0,0|2,0,0]=4 562 B10R1.8 C#CC1=CC(=CC(=C1)C)C CNP0069485.0 [0,2,0,0,0,0|1,0,0]=3 563 B10R1.8 C=CC1=CC(=CC(=C1)C)C CNP0039391.0 [0,2,0,0,0,0|1,0,0]=3 564 B10R1.8 CC1=CC(=CC(=C1)C#N)C CNP0079258.0 [0,2,0,0,0,0|1,0,0]=3 565 B10R1.8 CC1=CC(=CC(=C1)C=O)C CNP0196447.0 [0,2,0,0,0,0|1,0,0]=3 566 B10R1.8 CC1=CC(=CC(=C1)C=O)O CNP0067641.0 [0,2,0,0,0,0|1,0,1]=4 567 B10R1.8 CC1=CC(=CC(=C1)CO)C CNP0300262.0 [0,2,0,0,0,0|1,0,0]=3 568 B10R1.8 CC1=CC(=CC(=C1)NN)C CNP0042212.0 [0,2,0,0,0,0|1,0,0]=3 569 B10R1.8 CC1=CC(=NC(=N1)NN)C CNP0156530.0 [0,2,0,0,0,0|1,0,0]=3 570 B10R1.8 CC1=CC(=O)C=C(O1)CO CNP0356793.0 [0,2,0,0,0,0|2,0,0]=4 571 B10R1.8 CC1=CC(=O)OC(=C1)CBr CNP0047993.0 [0,2,0,0,0,0|1,0,0]=3 572 B10R1.8 CCC1=CC(=CC(=C1)C)C CNP0504620.0 [0,2,0,0,0,0|1,0,0]=3 573 B10R1.8 CCC1=CC(=CC(=C1)O)C CNP0307978.0 [0,2,0,0,0,0|1,0,0]=3 574 B10R1.8 CCC1=CC(=CC(=N1)C)C CNP0160210.0 [0,2,0,0,0,0|0,0,0]=2 575 B10R1.8 CCC1=CC(=NC(=C1)C)C CNP0234681.0 [0,2,0,0,0,0|0,0,0]=2 576 B10R1.8 COC1=CC(=CC(=C1)C)C CNP0153704.0 [0,2,0,0,0,0|1,0,0]=3 577 B10R1.8 COC1=CC(=CC(=C1)Cl)Cl CNP0017966.0 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.8 COC1=CC(=CC(=C1)O)C CNP0325489.0 [0,2,0,0,0,0|1,0,0]=3 579 B10R1.8 COC1=CC(=CC(=C1)O)O CNP0081787.0 [0,2,0,0,0,0|2,0,0]=4 580 B10R1.8 COC1=CC(=O)OC(=C1)C CNP0494967.0 [0,2,0,0,0,0|1,0,0]=3 581 B10R1.8 O=C1C=C(C=C(O1)CO)O CNP0275450.0 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.8 O=C1C=C(OC(=C1)CO)O CNP0300817.0 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.8 OCC1=CC(=CC(=C1)O)O CNP0197323.0 [0,2,0,0,0,0|2,0,0]=4 584 B10R1.10 CC1=CC=CC(=C1)CC#N CNP0583461.0 [0,2,0,0,0,0|1,0,0]=3 585 B10R1.10 CC1=CC=CC(=C1)N=C=O CNP0086215.0 [0,2,0,0,0,0|1,0,1]=4 586 B10R1.10 CCCC1=CC=CC(=C1)C CNP0267712.0 [0,2,0,0,0,0|1,0,0]=3 587 B10R1.10 CCCC1=CC=CC(=C1)O CNP0174862.0 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.10 CCNC1=CC=CC(=C1)C CNP0611661.0 [0,2,0,0,0,0|1,0,0]=3 589 B10R1.10 CCOC1=CC=CC(=C1)O CNP0611695.0 [0,2,0,0,0,0|2,0,0]=4 590 B10R1.10 NCCC1=CC=CC(=C1)O CNP0290010.0 [0,2,0,0,0,0|2,0,0]=4 591 B10R1.10 NNCC1=CC=CC(=C1)O CNP0599464.0 [0,2,0,0,0,0|2,0,0]=4 592 B10R1.10 OCCC1=CC=CC(=C1)O CNP0140785.0 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.30 C=CC1=CC(=CC=C1C)C CNP0027363.0 [0,2,0,0,0,0|1,0,1]=4 594 B10R1.30 CC1=CC=C(C(=C1)C#N)C CNP0233289.0 [0,2,0,0,0,0|1,0,1]=4 595 B10R1.30 CC1=CC=C(C(=C1)C#N)Cl CNP0033668.0 [0,2,0,0,0,0|1,0,1]=4 596 B10R1.30 CC1=CC=C(C(=C1)C=O)C CNP0076382.0 [0,2,0,0,0,0|1,0,1]=4 597 B10R1.30 CC1=CC=C(C(=C1)CO)C CNP0281493.0 [0,2,0,0,0,0|1,0,0]=3 598 B10R1.30 CCC1=CC(=CC=C1C)C CNP0220953.0 [0,2,0,0,0,0|1,0,0]=3 599 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [0,2,0,0,0,0|1,0,0]=3 601 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [0,2,0,0,0,0|2,0,0]=4 602 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [0,2,0,0,0,0|2,0,0]=4 603 B10R1.30 CCC1=NC(=CC=C1O)C CNP0422716.0 [0,2,0,0,0,0|2,0,0]=4 604 B10R1.30 CN=C1NC(=NC=C1O)O CNP0566412.0 [0,2,0,0,0,0|2,0,0]=4 605 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [0,2,0,0,0,0|2,0,0]=4 607 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [0,2,0,0,0,0|1,0,0]=3 608 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [0,2,0,0,0,0|2,0,0]=4 609 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [0,2,0,0,0,0|2,0,0]=4 610 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.30 O=C1C=C(C(=CO1)O)CO CNP0349514.0 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.30 O=C1C=CC(=O)C(=C1)CO CNP0212904.0 [0,2,0,0,0,0|2,0,0]=4 613 B10R1.30 OCC1=CC(=CC=C1Cl)O CNP0112835.0 [0,2,0,0,0,0|2,0,0]=4 614 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [0,2,0,0,0,0|2,0,0]=4 615 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [0,2,0,0,0,0|1,0,0]=3 616 B10R1.113 C=C(C)C1=CC=NC(=C1)C CNP0589096.0 [0,2,0,0,0,0|0,0,0]=2 617 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [0,2,0,0,0,0|0,0,0]=2 618 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [0,2,0,0,0,0|1,0,0]=3 619 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [0,2,0,0,0,0|0,0,0]=2 622 B10R1.113 CC(=O)C1=CC=NC(=N1)C CNP0002761.0 [0,2,0,0,0,0|1,0,0]=3 623 B10R1.113 CC(C)C1=CC(=O)OC=C1 CNP0193118.0 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.113 CC(C)C1=CC=CC(=C1)O CNP0246144.0 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [0,2,0,0,0,0|0,0,1]=3 627 B10R1.113 CC1=CC(=CC=N1)C(C)C CNP0586055.0 [0,2,0,0,0,0|0,0,0]=2 628 B10R1.113 CC1=CC(=CC=N1)N(C)C CNP0436330.0 [0,2,0,0,0,0|0,0,0]=2 629 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [0,2,0,0,0,0|1,0,1]=4 630 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [0,2,0,0,0,0|1,0,1]=4 631 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [0,2,0,0,0,0|1,0,1]=4 632 B10R1.113 CC1=CC=CC(=C1)C(C)C CNP0151774.0 [0,2,0,0,0,0|1,0,0]=3 633 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [0,2,0,0,0,0|2,0,0]=4 634 B10R1.113 CC1=CC=CC(=C1)N(C)C CNP0030877.0 [0,2,0,0,0,0|1,0,0]=3 635 B10R1.113 CC1=CC=CC(=N1)C(Br)Br CNP0382790.0 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.113 CC1=CC=NC(=C1)C(C)C CNP0555146.0 [0,2,0,0,0,0|0,0,0]=2 637 B10R1.113 CN(C)C1=CC=CC(=C1)Cl CNP0339431.0 [0,2,0,0,0,0|2,0,0]=4 638 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [0,2,0,0,0,0|2,0,0]=4 639 B10R1.172 CCC1=CC=CC(=C1)C#N CNP0142603.0 [0,2,0,0,0,0|1,0,1]=4 640 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [0,2,0,0,0,0|1,0,1]=4 641 B10R1.172 CCC1=CC=CC(=C1)CC CNP0328428.0 [0,2,0,0,0,0|1,0,0]=3 642 B10R1.172 CCC1=CC=CC(=C1)CO CNP0495646.0 [0,2,0,0,0,0|1,0,0]=3 643 B10R1.172 COC1=CC=CC(=C1)C#N CNP0199473.0 [0,2,0,0,0,0|1,0,1]=4 644 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [0,2,0,0,0,0|1,0,1]=4 645 B10R1.172 COC1=CC=CC(=C1)CO CNP0345399.0 [0,2,0,0,0,0|1,0,0]=3 646 B10R1.172 COC1=CC=CC(=C1)OC CNP0283758.0 [0,2,0,0,0,0|1,0,0]=3 647 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [0,2,0,0,0,0|1,0,1]=4 648 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [0,2,0,0,0,0|2,0,0]=4 649 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [0,2,0,0,0,0|1,0,1]=4 650 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [0,2,0,0,0,0|1,0,1]=4 652 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [0,2,0,0,0,0|1,0,0]=3 653 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [0,2,0,0,0,0|1,0,0]=3 654 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [0,2,0,0,0,0|1,0,0]=3 655 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.176 CCC1=CC=C(C(=N1)C)C CNP0105764.0 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [0,2,0,0,0,0|1,0,0]=3 659 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [0,2,0,0,0,0|1,0,0]=3 660 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [0,2,0,0,0,0|1,0,0]=3 661 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [0,2,0,0,0,0|2,0,0]=4 662 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [0,2,0,0,0,0|2,0,0]=4 663 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [0,2,0,0,0,0|2,0,0]=4 664 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [0,2,0,0,0,0|2,0,0]=4 665 B10R1.176 O=C1C=C(OC=C1O)CO CNP0328434.0 [0,2,0,0,0,0|2,0,0]=4 666 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [0,2,0,0,0,0|2,0,0]=4 667 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [0,2,0,0,0,0|2,0,0]=4 668 B10R1.22 CC1=CC(=C(C(=C1)Br)I)Cl CNP0179139.0 [0,2,0,0,0,0|2,0,0]=4 669 B10R1.22 CC1=CC(=C(C(=C1)Br)N)Cl CNP0063027.0 [0,2,0,0,0,0|2,0,0]=4 670 B10R1.22 CC1=CC(=C(C(=C1)Br)N)N CNP0039347.0 [0,2,0,0,0,0|2,0,0]=4 671 B10R1.22 CC1=CC(=C(C(=C1)Br)O)Br CNP0242146.0 [0,2,0,0,0,0|2,0,0]=4 672 B10R1.22 CC1=CC(=C(C(=C1)C)C)C CNP0375454.0 [0,2,0,0,0,0|1,0,0]=3 673 B10R1.22 CC1=CC(=C(C(=C1)C)N)C CNP0072418.0 [0,2,0,0,0,0|1,0,0]=3 674 B10R1.22 CC1=CC(=C(C(=C1)C)O)C CNP0321032.0 [0,2,0,0,0,0|1,0,0]=3 675 B10R1.22 CC1=CC(=C(C(=C1)Cl)Br)Cl CNP0296853.0 [0,2,0,0,0,0|2,0,0]=4 676 B10R1.22 CC1=CC(=C(C(=C1)Cl)N)N CNP0097451.0 [0,2,0,0,0,0|2,0,0]=4 677 B10R1.22 CC1=CC(=C(C(=C1)N)C)C CNP0027884.0 [0,2,0,0,0,0|1,0,0]=3 678 B10R1.22 CC1=CC(=C(C(=C1)O)C)C CNP0281157.0 [0,2,0,0,0,0|1,0,0]=3 679 B10R1.22 CC1=CC(=C(C(=C1)O)C)O CNP0156178.0 [0,2,0,0,0,0|2,0,0]=4 680 B10R1.22 CC1=CC(=C(C(=C1)O)Cl)O CNP0171455.0 [0,2,0,0,0,0|2,0,0]=4 681 B10R1.22 CC1=CC(=C(C(=C1)O)O)C CNP0386654.0 [0,2,0,0,0,0|1,0,0]=3 682 B10R1.22 CC1=CC(=C(C(=C1)O)O)O CNP0266425.0 [0,2,0,0,0,0|2,0,0]=4 683 B10R1.22 CC1=CC(=C(C(=N1)C)C)C CNP0182494.0 [0,2,0,0,0,0|0,0,0]=2 684 B10R1.22 CC1=CC(=C(C(=O)O1)C)O CNP0371588.0 [0,2,0,0,0,0|2,0,0]=4 685 B10R1.22 CC1=CC(=CC(=C1C)C)N CNP0214882.0 [0,2,0,0,0,0|1,0,0]=3 686 B10R1.22 CC1=CC(=CC(=C1C)C)O CNP0208232.0 [0,2,0,0,0,0|1,0,0]=3 687 B10R1.22 CC1=CC(=CC(=C1C)O)O CNP0138651.0 [0,2,0,0,0,0|2,0,0]=4 688 B10R1.22 CC1=CC(=CC(=C1Cl)C)O CNP0229378.0 [0,2,0,0,0,0|1,0,0]=3 689 B10R1.22 CC1=CC(=CC(=C1Cl)O)O CNP0283107.0 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.22 CC1=CC(=CC(=C1N)C)I CNP0086270.0 [0,2,0,0,0,0|1,0,0]=3 691 B10R1.22 CC1=CC(=CC(=C1O)C)O CNP0107250.0 [0,2,0,0,0,0|1,0,0]=3 692 B10R1.22 CC1=CC(=CC(=C1O)O)O CNP0249116.0 [0,2,0,0,0,0|2,0,0]=4 693 B10R1.22 CC1=CC(=CC(=[N+]1[O-])C)Cl CNP0584434.0 [0,2,0,0,0,0|1,0,1]=4 694 B10R1.22 CC1=CC(=NC(=C1N)Cl)Cl CNP0023634.0 [0,2,0,0,0,0|1,0,0]=3 695 B10R1.22 CC1=CC(=O)C=C(C1=O)C CNP0081563.0 [0,2,0,0,0,0|1,0,0]=3 696 B10R1.22 CC1=CC(=O)C=C(C1=O)O CNP0106705.0 [0,2,0,0,0,0|2,0,0]=4 697 B10R1.22 CC1=CC(=[N+](C(=C1)C)[O-])C CNP0516353.0 [0,2,0,0,0,0|0,0,1]=3 698 B10R1.119 CC1=C(C(=O)C(=CO1)C)O CNP0126465.0 [0,2,0,0,0,0|2,0,0]=4 699 B10R1.119 CC1=C(C(=O)C(=CO1)O)O CNP0249032.0 [0,2,0,0,0,0|2,0,0]=4 700 B10R1.119 CC1=C(C(=O)C=CC1=O)C CNP0252044.0 [0,2,0,0,0,0|2,0,0]=4 701 B10R1.119 CC1=C(C(=O)C=CC1=O)O CNP0304817.0 [0,2,0,0,0,0|2,0,0]=4 702 B10R1.119 CC1=C(C(=O)C=CN1C)O CNP0409474.0 [0,2,0,0,0,0|1,0,1]=4 703 B10R1.119 CC1=C(C=CC(=C1C)O)N CNP0562106.0 [0,2,0,0,0,0|2,0,0]=4 704 B10R1.119 CC1=C(C=CC(=C1C)O)O CNP0119775.0 [0,2,0,0,0,0|2,0,0]=4 705 B10R1.119 CC1=C(C=CC(=C1O)O)O CNP0354287.0 [0,2,0,0,0,0|2,0,0]=4 706 B10R1.119 CC1=CC=C(C(=C1C)C)C CNP0376974.0 [0,2,0,0,0,0|1,0,0]=3 707 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [0,2,0,0,0,0|1,0,0]=3 708 B10R1.119 CC1=CC=C(C(=C1C)O)O CNP0352924.0 [0,2,0,0,0,0|2,0,0]=4 709 B10R1.119 CC1=CC=C(C(=C1Cl)C)S CNP0345116.0 [0,2,0,0,0,0|1,0,0]=3 710 B10R1.119 CC1=CC=C(C(=C1O)C)O CNP0142427.0 [0,2,0,0,0,0|1,0,0]=3 711 B10R1.119 CC1=CC=C(C(=C1O)O)C CNP0183636.0 [0,2,0,0,0,0|2,0,0]=4 712 B10R1.119 CC1=CN=C(C(=C1C)C)C CNP0265742.0 [0,2,0,0,0,0|0,0,0]=2 713 B10R1.245 CC1=CC=CC(=C1C#N)C CNP0139271.0 [0,2,0,0,0,0|1,0,0]=3 714 B10R1.245 CC1=CC=CC(=C1C=O)C CNP0561651.0 [0,2,0,0,0,0|1,0,0]=3 715 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [0,2,0,0,0,0|2,0,0]=4 716 B10R1.245 CC1=CC=CC(=C1CO)O CNP0321165.0 [0,2,0,0,0,0|2,0,0]=4 717 B10R1.245 CCC1=C(C=CC=C1C)C CNP0182931.0 [0,2,0,0,0,0|1,0,0]=3 718 B10R1.245 CNC1=C(C=CC=C1C)C CNP0282095.0 [0,2,0,0,0,0|1,0,0]=3 719 B10R1.245 COC1=C(C=CC=C1C)C CNP0308029.0 [0,2,0,0,0,0|1,0,0]=3 720 B10R1.245 COC1=C(NC=CC1=O)C CNP0226695.0 [0,2,0,0,0,0|1,0,1]=4 721 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [0,2,0,0,0,0|2,0,0]=4 722 B10R1.301 CC1=C(C(CC=C1)(C)C)C CNP0583800.0 [0,2,0,0,0,0|1,0,1]=4 723 B10R1.301 CC1=CC=CC(C1=O)(C)C CNP0077154.0 [0,2,0,0,0,0|1,0,1]=4 724 B10R1.329 CC1=CC(=NC(C1)(C)C)O CNP0497194.0 [0,2,0,0,0,0|0,0,2]=4 725 B10R1.329 CC1=CC(CC(=C1)C)(C)C CNP0076041.0 [0,2,0,0,0,0|1,0,1]=4 726 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [0,2,0,0,0,0|1,0,0]=3 727 B10R1.25 CC1=CC(=C(C=N1)C#N)C CNP0069171.0 [0,2,0,0,0,0|0,0,0]=2 728 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [0,2,0,0,0,0|2,0,0]=4 729 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [0,2,0,0,0,0|1,0,0]=3 731 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [0,2,0,0,0,0|1,0,0]=3 732 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [0,2,0,0,0,0|1,0,0]=3 733 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [0,2,0,0,0,0|1,0,0]=3 734 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [0,2,0,0,0,0|2,0,0]=4 735 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [0,2,0,0,0,0|2,0,0]=4 736 B10R1.25 CC1=NC=C(C(=N)N1)CO CNP0546737.0 [0,2,0,0,0,0|2,0,0]=4 737 B10R1.25 CC1=NC=C(C(=N1)N)CN CNP0495482.0 [0,2,0,0,0,0|2,0,0]=4 738 B10R1.25 CC1=NC=C(C(=N1)N)CO CNP0300516.0 [0,2,0,0,0,0|2,0,0]=4 739 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [0,2,0,0,0,0|1,0,0]=3 740 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [0,2,0,0,0,0|2,0,0]=4 741 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [0,2,0,0,0,0|1,0,0]=3 742 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [0,2,0,0,0,0|2,0,0]=4 745 B10R1.118 CC1=C(C=C(C(=C1)C)C)C CNP0218764.0 [0,2,0,0,0,0|1,0,0]=3 746 B10R1.118 CC1=CC(=C(C=C1Br)C)Br CNP0024349.0 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.118 CC1=CC(=C(C=C1C)N)N CNP0106845.0 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.118 CC1=CC(=C(C=C1C)O)C CNP0242109.0 [0,2,0,0,0,0|1,0,0]=3 749 B10R1.118 CC1=CC(=C(C=C1Cl)C)Cl CNP0062326.0 [0,2,0,0,0,0|2,0,0]=4 750 B10R1.118 CC1=CC(=C(C=C1O)C)O CNP0533659.0 [0,2,0,0,0,0|2,0,0]=4 751 B10R1.118 CC1=CC(=C(N=C1C)C)C CNP0272756.0 [0,2,0,0,0,0|2,0,0]=4 752 B10R1.118 CC1=CC(=O)C(=CC1=O)C CNP0221747.0 [0,2,0,0,0,0|2,0,0]=4 753 B10R1.118 CC1=CC(=O)C(=CC1=O)O CNP0288982.0 [0,2,0,0,0,0|2,0,0]=4 754 B8R1.8 CC=CC1=CC=CO1 CNP0546810.0 [0,0,1,1,0,0|1,0,1]=4 755 B8R2.25 C1=CC=C2CC2=C1 CNP0076757.0 [1,0,0,1,0,0|1,0,0]=3 756 B6R0.3 CC(=O)C(=NO)C CNP0091192.0 [0,0,1,0,1,0|2,0,0]=4 757 B6R0.3 CC=C(C)C(=O)C CNP0119709.0 [0,0,1,0,1,0|1,0,1]=4 758 B6R1.2 C=C1C=CC=N1 CNP0533988.0 [1,0,0,0,1,0|0,0,1]=3 759 B6R1.2 CC1=CC=CN1 CNP0003130.0 [1,0,0,0,1,0|0,0,1]=3 760 B6R1.2 CC1=CC=CO1 CNP0204821.0 [1,0,0,0,1,0|1,0,0]=3 761 B6R1.2 CC1=CC=CS1 CNP0308280.0 [1,0,0,0,1,0|1,0,0]=3 762 B6R1.2 CC1=CN=CN1 CNP0175437.0 [1,0,0,0,1,0|1,0,0]=3 763 B6R1.2 CC1=CN=CS1 CNP0003129.0 [1,0,0,0,1,0|1,0,0]=3 764 B6R1.2 CC1=CN=NS1 CNP0149602.0 [1,0,0,0,1,0|2,0,0]=4 765 B6R1.2 CC1=CNC=C1 CNP0578230.0 [1,0,0,0,1,0|0,0,1]=3 766 B6R1.2 CC1=CNC=N1 CNP0484047.0 [1,0,0,0,1,0|1,0,0]=3 767 B6R1.2 CC1=CNN=C1 CNP0179752.0 [1,0,0,0,1,0|1,0,0]=3 768 B6R1.2 CC1=COC=C1 CNP0401605.0 [1,0,0,0,1,0|1,0,0]=3 769 B6R1.2 CC1=CSC=C1 CNP0153726.0 [1,0,0,0,1,0|1,0,0]=3 770 B6R1.2 CC1=CSC=N1 CNP0121199.0 [1,0,0,0,1,0|1,0,0]=3 771 B6R1.2 CC1=NC=CS1 CNP0611676.0 [1,0,0,0,1,0|1,0,0]=3 772 B6R1.2 CC1=NN=CO1 CNP0610339.0 [1,0,0,0,1,0|2,0,0]=4 773 B6R1.2 CN1C=CC=C1 CNP0084622.0 [1,0,0,0,1,0|1,0,0]=3 774 B6R1.2 CN1C=CN=C1 CNP0492624.0 [1,0,0,0,1,0|1,0,0]=3 775 B6R1.2 IC1=CNN=C1 CNP0529767.0 [1,0,0,0,1,0|2,0,0]=4 776 B6R1.2 NC1=CN=CN1 CNP0269270.0 [1,0,0,0,1,0|2,0,0]=4 777 B6R1.2 NC1=COC=N1 CNP0572216.0 [1,0,0,0,1,0|2,0,0]=4 778 B6R1.2 NC1=NC=CN1 CNP0407827.0 [1,0,0,0,1,0|2,0,0]=4 779 B6R1.2 NC1=NC=CS1 CNP0515899.0 [1,0,0,0,1,0|2,0,0]=4 780 B6R1.2 NC1=NNC=C1 CNP0210263.0 [1,0,0,0,1,0|2,0,0]=4 781 B6R1.2 NN1C=CC=C1 CNP0148646.0 [1,0,0,0,1,0|2,0,0]=4 782 B6R1.2 O=C1C=CN=N1 CNP0490259.0 [1,0,0,0,1,0|2,0,0]=4 783 B6R1.2 OC1=CC=CO1 CNP0600093.0 [1,0,0,0,1,0|2,0,0]=4 784 B6R1.2 OC1=CON=C1 CNP0302207.0 [1,0,0,0,1,0|2,0,0]=4 785 B6R1.2 SC1=CC=CS1 CNP0113015.0 [1,0,0,0,1,0|2,0,0]=4 786 B6R1.2 SC1=CSC=C1 CNP0208450.0 [1,0,0,0,1,0|2,0,0]=4 787 B10R1.79 CC1=CCCC(=CCC1)C CNP0612141.0 [0,0,0,0,0,2|1,0,1]=4