0 B9R1.1 C=CC1=CC=C(C=C1)C CNP0003402.0 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.1 C=CC1=CC=C(C=C1)O CNP0119518.0 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.1 C=CC1=CN=C(C=N1)C CNP0137155.0 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.1 CC1=CC=C(C=C1)C#N CNP0319761.0 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.1 CC1=CC=C(C=C1)C=O CNP0234694.0 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.1 CC1=CC=C(C=C1)CO CNP0002396.0 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.1 CC1=CC=C(C=C1)I=O CNP0508059.0 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.1 CC1=CC=C(C=C1)N=O CNP0522636.0 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.1 CCC1=CC=C(C=C1)Br CNP0211844.0 [0,0,0,0,0,0|1,0,2]=3 9 B9R1.1 CCC1=CC=C(C=C1)C CNP0119285.0 [0,0,0,0,0,0|1,0,2]=3 10 B9R1.1 CCC1=CC=C(C=C1)N CNP0166611.0 [0,0,0,0,0,0|1,0,2]=3 11 B9R1.1 CCC1=CC=C(C=C1)O CNP0299375.0 [0,0,0,0,0,0|0,0,2]=2 12 B9R1.1 CCC1=CC=C(C=N1)C CNP0185750.0 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.1 CCC1=CC=C(N=C1)C CNP0341471.0 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.1 CCN1C=CC(=N)C=C1 CNP0467750.0 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.1 CCN1C=CC(=[N])C=C1 CNP0554973.0 [0,0,0,0,0,0|2,0,2]=4 16 B9R1.1 CNC1=CC=C(C=C1)O CNP0036253.0 [0,0,0,0,0,0|1,0,1]=2 17 B9R1.1 COC1=CC=C(C=C1)C CNP0160002.0 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.1 COC1=CC=C(C=C1)N CNP0027059.0 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.1 COC1=CC=C(C=C1)O CNP0236213.0 [0,0,0,0,0,0|1,0,1]=2 20 B9R1.1 N#CC1=CC=C(C=C1)N CNP0174653.0 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.1 N#CC1=CC=C(C=C1)O CNP0148599.0 [0,0,0,0,0,0|1,0,1]=2 22 B9R1.1 N#[N+]C1=CC=C(C=C1)O CNP0595965.0 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.1 N#[N+]C1=CC=C(C=C1)[O-] CNP0612185.0 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.1 NC1=CC=C(C=C1)C=O CNP0263657.0 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.1 NCC1=CC=C(C=C1)O CNP0106686.0 [0,0,0,0,0,0|1,0,1]=2 26 B9R1.1 O=CC1=CC=C(C=C1)O CNP0230702.0 [0,0,0,0,0,0|1,0,0]=1 27 B9R1.1 O=CC1=CC=C(OC1)O CNP0334419.0 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.1 O=NC1=CC=C(C=C1)Br CNP0452912.0 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.1 O=NC1=CC=C(C=N1)Br CNP0417097.0 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.1 O=NC1=CC=C(C=N1)Cl CNP0071252.0 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.1 OCC1=CC=C(C=C1)Br CNP0519580.0 [0,0,0,0,0,0|2,0,1]=3 32 B9R1.1 OCC1=CC=C(C=C1)O CNP0103281.0 [0,0,0,0,0,0|1,0,1]=2 33 B9R1.1 OCC1=CC=C(C=N1)O CNP0288074.0 [0,0,0,0,0,0|2,0,1]=3 34 B9R1.1 [N-]=[N+]=C1C=CC(=O)C=C1 CNP0540787.0 [0,0,0,0,0,0|2,0,1]=3 35 B8R1.2 C#CC1=CC=CC=C1 CNP0227628.0 [1,0,0,0,0,0|0,0,2]=3 36 B8R1.2 C=CC1=CC=CC=C1 CNP0111430.0 [1,0,0,0,0,0|0,0,0]=1 37 B8R1.2 C=CC1=CC=CN=C1 CNP0522857.0 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.2 C=CC1=CC=NC=C1 CNP0355769.0 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.2 C=CC1=CCC=CC1 CNP0573497.0 [1,0,0,0,0,0|0,0,2]=3 40 B8R1.2 C=CC1=CN=CC=N1 CNP0302528.0 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 CCC1=CC=CC=C1 CNP0245508.0 [1,0,0,0,0,0|0,0,2]=3 42 B8R1.2 CCC1=CC=CC=N1 CNP0003463.0 [1,0,0,0,0,0|1,0,2]=4 43 B8R1.2 CCC1=CC=CN=C1 CNP0396997.0 [1,0,0,0,0,0|1,0,2]=4 44 B8R1.2 CC[N+]1=CC=CC=C1 CNP0507760.0 [1,0,0,0,0,0|1,0,2]=4 45 B8R1.2 CNC1=CC=CC=C1 CNP0238665.0 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.2 COC1=CC=CC=C1 CNP0226394.0 [1,0,0,0,0,0|1,0,1]=3 47 B8R1.2 COC1=CC=CC=N1 CNP0086328.0 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.2 COC1=CC=CN=C1 CNP0181639.0 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.2 COC1=CC=[C-]C=C1 CNP0559014.0 [1,0,0,0,0,0|1,0,2]=4 50 B8R1.2 CSC1=CC=CC=C1 CNP0220907.0 [1,0,0,0,0,0|1,0,1]=3 51 B8R1.2 ClCC1=CC=CC=C1 CNP0182098.0 [1,0,0,0,0,0|1,0,1]=3 52 B8R1.2 N#CC1=CC=CC=C1 CNP0417536.0 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.2 N#CC1=CC=CC=N1 CNP0133217.0 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.2 N#CC1=CC=CN=C1 CNP0196992.0 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.2 N#CC1=CC=NC=C1 CNP0375790.0 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.2 NCC1=CC=CC=C1 CNP0287581.0 [1,0,0,0,0,0|1,0,1]=3 57 B8R1.2 NCC1=CC=CC=N1 CNP0472987.0 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 NNC1=CC=CC=C1 CNP0343489.0 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.2 NOC1=CC=CC=C1 CNP0086444.0 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.2 O=CC1=CC=CC=C1 CNP0105179.0 [1,0,0,0,0,0|1,0,0]=2 61 B8R1.2 O=CC1=CC=CC=N1 CNP0343249.0 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 O=CC1=CC=CCC1 CNP0510730.0 [1,0,0,0,0,0|1,0,2]=4 63 B8R1.2 O=CC1=CC=CN=C1 CNP0275958.0 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.2 O=NC1=CC=CC=C1 CNP0458645.0 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.2 O=NC1=CC=CC=N1 CNP0402135.0 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.2 OCC1=CC=CC=C1 CNP0263608.0 [1,0,0,0,0,0|1,0,1]=3 67 B8R1.2 OCC1=CC=CN=C1 CNP0208151.0 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.2 OCC1=CC=NC=C1 CNP0397488.0 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.2 S=CC1=CC=CC=C1 CNP0390890.0 [1,0,0,0,0,0|1,0,0]=2 70 B8R1.2 SCC1=CC=CC=C1 CNP0118345.0 [1,0,0,0,0,0|1,0,1]=3 71 B8R1.2 SCC1=CC=CC=N1 CNP0105723.0 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.2 SCC1=CC=CN=C1 CNP0566755.0 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.2 [18OH]CC1=CC=CC=C1 CNP0583905.0 [1,0,0,0,0,0|1,0,1]=3 74 B8R1.2 [CH2]CC1=CC=CC=C1 CNP0592603.0 [1,0,0,0,0,0|0,0,2]=3 75 B8R1.3 BrC1=CC=C(C=C1)Br CNP0468033.0 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.3 C=C1C=CC(=O)C=C1 CNP0610154.0 [1,0,0,0,0,0|0,0,1]=2 77 B8R1.3 CC1=CC=C(C=C1)Br CNP0372052.0 [1,0,0,0,0,0|1,0,1]=3 78 B8R1.3 CC1=CC=C(C=C1)C CNP0227482.0 [1,0,0,0,0,0|1,0,1]=3 79 B8R1.3 CC1=CC=C(C=C1)Cl CNP0177290.0 [1,0,0,0,0,0|1,0,1]=3 80 B8R1.3 CC1=CC=C(C=C1)N CNP0232157.0 [1,0,0,0,0,0|1,0,1]=3 81 B8R1.3 CC1=CC=C(C=C1)O CNP0267550.0 [1,0,0,0,0,0|0,0,1]=2 82 B8R1.3 CC1=CC=C(C=C1)S CNP0315228.0 [1,0,0,0,0,0|0,1,1]=3 83 B8R1.3 CC1=CC=C(C=N1)N CNP0257052.0 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.3 CC1=CC=C(C=N1)O CNP0164492.0 [1,0,0,0,0,0|1,0,1]=3 85 B8R1.3 CC1=CC=C(N=C1)C CNP0244329.0 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.3 CC1=CC=C(N=C1)N CNP0531563.0 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.3 CC1=CC=C(N=C1)O CNP0541416.0 [1,0,0,0,0,0|1,0,1]=3 88 B8R1.3 CC1=CC=C([NH+]=C1)N CNP0549835.0 [1,0,0,0,0,0|2,0,1]=4 89 B8R1.3 CC1=CNC(=O)C=C1 CNP0085670.0 [1,0,0,0,0,0|1,0,2]=4 90 B8R1.3 CN1C=CC(=N)C=C1 CNP0407521.0 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.3 ClC1=CC=C(C=C1)Cl CNP0341270.0 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.3 NC1=CC=C(C=C1)Br CNP0044742.0 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.3 NC1=CC=C(C=C1)I CNP0290133.0 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.3 NC1=CC=C(C=C1)N CNP0208924.0 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.3 NC1=CC=C(C=C1)O CNP0149529.0 [1,0,0,0,0,0|1,0,0]=2 96 B8R1.3 NC1=CC=C(C=N1)Br CNP0213494.0 [1,0,0,0,0,0|3,0,0]=4 97 B8R1.3 NC1=CC=C(C=N1)Cl CNP0022545.0 [1,0,0,0,0,0|3,0,0]=4 98 B8R1.3 NC1=CC=C(C=N1)I CNP0047532.0 [1,0,0,0,0,0|3,0,0]=4 99 B8R1.3 O=C1C=CC(=CN1)O CNP0491283.0 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.3 O=C1C=CC(=O)C=C1 CNP0164682.0 [1,0,0,0,0,0|1,0,1]=3 101 B8R1.3 OC1=CC=C(C=C1)Br CNP0085593.0 [1,0,0,0,0,0|1,0,0]=2 102 B8R1.3 OC1=CC=C(C=C1)Cl CNP0334769.0 [1,0,0,0,0,0|1,0,0]=2 103 B8R1.3 OC1=CC=C(C=C1)I CNP0471533.0 [1,0,0,0,0,0|1,0,0]=2 104 B8R1.3 OC1=CC=C(C=C1)O CNP0246516.0 [1,0,0,0,0,0|1,0,0]=2 105 B8R1.3 OC1=CC=C(C=C1)S CNP0531619.0 [1,0,0,0,0,0|1,0,0]=2 106 B8R1.3 OC1=CC=C(N=C1)O CNP0381187.0 [1,0,0,0,0,0|2,0,0]=3 107 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [0,1,0,0,0,0|1,0,0]=2 108 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [0,1,0,0,0,0|0,0,0]=1 109 B10R1.1 C=CCC1=CN=C(C=N1)C CNP0002575.0 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [0,1,0,0,0,0|1,0,1]=3 112 B10R1.1 CC1=CC=C(C=C1)SC#N CNP0533747.0 [0,1,0,0,0,0|2,0,1]=4 113 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [0,1,0,0,0,0|0,0,0]=1 115 B10R1.1 CC=CC1=CN=C(C=N1)C CNP0411163.0 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.1 CCCC1=CC=C(C=C1)O CNP0049862.0 [0,1,0,0,0,0|0,0,2]=3 117 B10R1.1 CCNC1=CC=C(C=C1)C CNP0218913.0 [0,1,0,0,0,0|1,0,2]=4 118 B10R1.1 CCOC1=CC=C(C=C1)C CNP0163796.0 [0,1,0,0,0,0|1,0,2]=4 119 B10R1.1 CCOC1=CC=C(C=C1)N CNP0071165.0 [0,1,0,0,0,0|1,0,2]=4 120 B10R1.1 CCOC1=CC=C(C=C1)O CNP0003327.0 [0,1,0,0,0,0|0,0,2]=3 121 B10R1.1 COCC1=CC=C(C=C1)O CNP0145249.0 [0,1,0,0,0,0|0,0,2]=3 122 B10R1.1 N#CCC1=CC=C(C=C1)O CNP0232327.0 [0,1,0,0,0,0|0,0,2]=3 123 B10R1.1 N#CNC1=CC=C(C=C1)Cl CNP0231069.0 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.1 N#CSC1=CC=C(C=C1)O CNP0157204.0 [0,1,0,0,0,0|1,0,1]=3 125 B10R1.1 NC1=CC=C(C=C1)C=NO CNP0185919.0 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [0,1,0,0,0,0|0,0,0]=1 127 B10R1.1 NCCC1=CC=C(C=C1)O CNP0111205.0 [0,1,0,0,0,0|0,0,2]=3 128 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [0,1,0,0,0,0|0,0,1]=2 129 B10R1.1 OCCC1=CC=C(C=C1)O CNP0160217.0 [0,1,0,0,0,0|0,0,2]=3 130 B10R1.1 ON=CC1=CC=C(C=C1)Br CNP0046844.0 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.1 ON=CC1=CC=C(C=C1)Cl CNP0036786.0 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [0,1,0,0,0,0|1,0,0]=2 133 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [0,1,0,0,0,0|0,0,0]=1 134 B10R1.3 BrCC1=CC=C(C=C1)CBr CNP0025281.0 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.3 C=CC1=CC=C(C=C1)C=C CNP0540510.0 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [0,1,0,0,0,0|0,0,1]=2 137 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [0,1,0,0,0,0|0,0,0]=1 139 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [0,1,0,0,0,0|0,0,0]=1 140 B10R1.3 CCC1=CC=C(C=C1)C#N CNP0223506.0 [0,1,0,0,0,0|1,0,2]=4 141 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.3 CCC1=CC=C(C=C1)CC CNP0158802.0 [0,1,0,0,0,0|1,0,2]=4 143 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [0,1,0,0,0,0|0,0,2]=3 144 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [0,1,0,0,0,0|1,0,1]=3 146 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [0,1,0,0,0,0|1,0,0]=2 147 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [0,1,0,0,0,0|1,0,1]=3 149 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [0,1,0,0,0,0|1,0,1]=3 150 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [0,1,0,0,0,0|1,0,1]=3 151 B10R1.3 N#[N+]C1=CC=C(C=C1)CO CNP0355335.0 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [0,1,0,0,0,0|1,0,1]=3 153 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.13 C=C(C)C1=CC=C(C=C1)C CNP0302429.0 [0,1,0,0,0,0|1,0,0]=2 155 B10R1.13 C=C(C)C1=CC=C(CC1)C CNP0154651.0 [0,1,0,0,0,0|1,0,2]=4 156 B10R1.13 C=C(C)C1=CC=C(N=C1)C CNP0550241.0 [0,1,0,0,0,0|2,0,0]=3 157 B10R1.13 C=C(C)C1=CCC(=CC1)C CNP0603428.0 [0,1,0,0,0,0|1,0,2]=4 158 B10R1.13 C=C(C)[C@@H]1C=CC(=CC1)C CNP0119020.1 [0,1,0,0,0,0|1,0,2]=4 159 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [0,1,0,0,0,0|1,0,1]=3 160 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [0,1,0,0,0,0|1,0,1]=3 161 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [0,1,0,0,0,0|1,0,1]=3 162 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [0,1,0,0,0,0|1,0,1]=3 163 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [0,1,0,0,0,0|0,0,1]=2 164 B10R1.13 CC(=O)C1=CC=C(C=N1)C CNP0046782.0 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.13 CC(=O)C1=CC=C(N=C1)C CNP0135801.0 [0,1,0,0,0,0|2,0,1]=4 166 B10R1.13 CC(C)C1=CC=C(C=C1)N CNP0455541.0 [0,1,0,0,0,0|1,0,2]=4 167 B10R1.13 CC(C)C1=CC=C(C=C1)O CNP0127505.0 [0,1,0,0,0,0|0,0,2]=3 168 B10R1.13 CC(N)C1=CC=C(C=C1)O CNP0292009.0 [0,1,0,0,0,0|0,0,2]=3 169 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.13 CC1=CC=C(C=C1)C(C)C CNP0145577.0 [0,1,0,0,0,0|1,0,2]=4 174 B10R1.13 CC1=CC=C(C=C1)[C@@H](C)O CNP0154242.1 [0,1,0,0,0,0|1,0,2]=4 175 B10R1.13 CC1=CC=C(C=C1)[C@H](C)O CNP0154242.2 [0,1,0,0,0,0|1,0,2]=4 176 B10R1.13 CN(C)C1=CC=C(C=C1)N CNP0581368.0 [0,1,0,0,0,0|2,0,1]=4 177 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [0,1,0,0,0,0|0,0,2]=3 178 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [0,1,0,0,0,0|0,0,2]=3 179 B10R1.13 N=C(N)C1=CC=C(C=C1)N CNP0095026.0 [0,1,0,0,0,0|2,0,0]=3 180 B10R1.13 N=C1C=CC(=CN1)C(=O)N CNP0537992.0 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [0,1,0,0,0,0|1,0,0]=2 182 B10R1.13 NC(=O)C1=CC=C(N=C1)Cl CNP0263777.0 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.13 NC(=O)C1=CC=C(N=C1)N CNP0343331.0 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [0,1,0,0,0,0|2,0,0]=3 185 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [0,1,0,0,0,0|2,0,0]=3 186 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [0,1,0,0,0,0|2,0,0]=3 187 B10R1.13 NC1=CC=C(C=C1)[N+](=O)[O-] CNP0491985.0 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [0,1,0,0,0,0|1,0,1]=3 192 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [0,1,0,0,0,0|2,0,1]=4 196 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [0,1,0,0,0,0|1,0,0]=2 198 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.25 C=CC1=CC=C(C=C1C)C CNP0479270.0 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.25 C=CC1=CC=C(C=C1O)O CNP0155671.0 [0,1,0,0,0,0|0,0,0]=1 201 B10R1.25 C=CC1=NC=C(N=C1C)C CNP0178869.0 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.25 CC1=CC(=CC=C1N=O)N CNP0033954.0 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.25 CC1=CC(=O)C=CC1=NO CNP0220999.0 [0,1,0,0,0,0|2,0,1]=4 204 B10R1.25 CC1=CC=C(C(=C1)C)C#N CNP0033930.0 [0,1,0,0,0,0|2,0,1]=4 205 B10R1.25 CC1=CC=C(C(=C1)C)C=O CNP0194374.0 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.25 CC1=CC=C(C(=C1)C)CCl CNP0377096.0 [0,1,0,0,0,0|2,0,1]=4 207 B10R1.25 CC1=CC=C(C(=C1)C)CO CNP0490250.0 [0,1,0,0,0,0|2,0,1]=4 208 B10R1.25 CC1=CC=C(C(=C1)Cl)C#N CNP0353020.0 [0,1,0,0,0,0|2,0,1]=4 209 B10R1.25 CC1=CC=C(C(=C1)O)C=O CNP0384037.0 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.25 CCC1=CC=C(C=C1C)C CNP0219596.0 [0,1,0,0,0,0|1,0,2]=4 211 B10R1.25 CCC1=CC=C(C=C1O)C CNP0289222.0 [0,1,0,0,0,0|1,0,2]=4 212 B10R1.25 CCC1=CC=C(C=C1O)O CNP0279225.0 [0,1,0,0,0,0|0,0,2]=3 213 B10R1.25 COC1=CC=C(C=C1Br)Br CNP0018124.0 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.25 COC1=CC=C(C=C1C)C CNP0076750.0 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.25 COC1=CC=C(C=C1C)O CNP0142095.0 [0,1,0,0,0,0|1,0,1]=3 216 B10R1.25 COC1=CC=C(C=C1I)I CNP0051717.0 [0,1,0,0,0,0|2,0,1]=4 217 B10R1.25 COC1=CC=C(C=C1N)C CNP0028982.0 [0,1,0,0,0,0|2,0,1]=4 218 B10R1.25 COC1=CC=C(C=C1N)O CNP0285627.0 [0,1,0,0,0,0|1,0,1]=3 219 B10R1.25 COC1=CC=C(C=C1O)C CNP0345030.0 [0,1,0,0,0,0|2,0,1]=4 220 B10R1.25 COC1=CC=C(C=C1O)O CNP0160849.0 [0,1,0,0,0,0|1,0,1]=3 221 B10R1.25 N#CC1=CC=C(C=C1O)O CNP0293189.0 [0,1,0,0,0,0|1,0,1]=3 222 B10R1.25 O=CC1=CC=C(C=C1O)O CNP0382408.0 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.25 OCC1=CC=C(C=C1Cl)Cl CNP0569884.0 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [0,1,0,0,0,0|0,0,0]=1 226 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [0,1,0,0,0,0|1,0,0]=2 228 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.176 CC1=CC=C(C=C1C)C#N CNP0181583.0 [0,1,0,0,0,0|2,0,1]=4 230 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.176 CCC1=CC=C(C(=C1)C)C CNP0111798.0 [0,1,0,0,0,0|1,0,2]=4 232 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [0,1,0,0,0,0|0,0,2]=3 233 B10R1.176 CCC1=CC=C(C(=C1)O)C CNP0152157.0 [0,1,0,0,0,0|1,0,2]=4 234 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [0,1,0,0,0,0|0,0,2]=3 235 B10R1.176 COC1=CC=C(C(=C1)C)Br CNP0334567.0 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.176 COC1=CC=C(C(=C1)C)Cl CNP0187648.0 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [0,1,0,0,0,0|1,0,1]=3 238 B10R1.176 COC1=CC=C(C(=C1)Cl)Cl CNP0369428.0 [0,1,0,0,0,0|2,0,1]=4 239 B10R1.176 COC1=CC=C(C(=C1)N)O CNP0323578.0 [0,1,0,0,0,0|1,0,1]=3 240 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [0,1,0,0,0,0|1,0,1]=3 241 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [0,1,0,0,0,0|1,0,1]=3 242 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [0,1,0,0,0,0|1,0,0]=2 243 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [0,1,0,0,0,0|1,0,1]=3 244 B10R1.176 O=C1C=C(OC=C1O)CO CNP0328434.0 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [0,1,0,0,0,0|1,0,0]=2 246 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [0,1,0,0,0,0|1,0,1]=3 249 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [0,1,0,0,0,0|1,0,1]=3 250 B8R0.9 C=C(O)C=CC(=O)C=O CNP0588260.0 [0,0,1,0,0,0|2,0,0]=3 251 B8R0.9 C=C(O)C=CC(=O)C=O CNP0602025.0 [0,0,1,0,0,0|2,0,0]=3 252 B8R1.1 CC1=CC=C(N1)C=O CNP0263778.0 [0,0,0,0,1,0|3,0,0]=4 253 B8R1.1 CC1=CC=C(O1)C=O CNP0142902.0 [0,0,0,0,1,0|3,0,0]=4 254 B8R1.1 CC1=CC=C(S1)C=O CNP0611712.0 [0,0,0,0,1,0|3,0,0]=4 255 B8R1.1 CC=C1C=CC(=O)O1 CNP0289286.0 [0,0,0,0,1,0|1,0,2]=4 256 B8R1.1 O=CC1=CC=C(O1)O CNP0326852.0 [0,0,0,0,1,0|2,0,0]=3 257 B8R1.1 O=NC1=CC=C(N1)O CNP0611370.0 [0,0,0,0,1,0|3,0,0]=4 258 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,1,0,0,0|0,0,2]=4 259 B7R0.1 C=CC=CCC=CC CNP0290357.0 [1,0,1,0,0,0|0,0,2]=4 260 B7R0.1 C=CC=CCCC=C CNP0365770.0 [1,0,1,0,0,0|0,0,2]=4 261 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,1,0,0,0|0,0,2]=4 262 B7R0.1 O=CC=CC=CC=O CNP0204128.0 [1,0,1,0,0,0|2,0,0]=4 263 B7R0.3 C=CC(=CC=CC)C CNP0321924.0 [1,0,1,0,0,0|0,0,2]=4 264 B7R0.3 C=CC=CC(C)C=C CNP0076743.0 [1,0,1,0,0,0|0,0,2]=4 265 B7R0.3 C=CCCC(=C)C=C CNP0603134.0 [1,0,1,0,0,0|0,0,2]=4 266 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [1,0,1,0,0,0|1,0,1]=4 267 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [1,0,1,0,0,0|1,0,1]=4 268 B7R1.3 BrC1=CC=CC=C1 CNP0283267.0 [2,0,0,0,0,0|1,0,0]=3 269 B7R1.3 C=C1[CH]C=CC=C1 CNP0605393.0 [2,0,0,0,0,0|0,0,1]=3 270 B7R1.3 CC1=CC=CC=C1 CNP0156985.0 [2,0,0,0,0,0|0,0,1]=3 271 B7R1.3 CC1=CC=CC=N1 CNP0137947.0 [2,0,0,0,0,0|1,0,1]=4 272 B7R1.3 CC1=CC=CN=C1 CNP0206932.0 [2,0,0,0,0,0|1,0,1]=4 273 B7R1.3 CC1=CC=NC=C1 CNP0116906.0 [2,0,0,0,0,0|1,0,1]=4 274 B7R1.3 C[N+]1=CC=CC=C1 CNP0509577.0 [2,0,0,0,0,0|1,0,1]=4 275 B7R1.3 ClC1=CC=CC=C1 CNP0009107.0 [2,0,0,0,0,0|1,0,0]=3 276 B7R1.3 IC1=CC=CC=C1 CNP0481848.0 [2,0,0,0,0,0|1,0,0]=3 277 B7R1.3 IC1=CC=NC=C1 CNP0582917.0 [2,0,0,0,0,0|2,0,0]=4 278 B7R1.3 N=C1C=CNC=C1 CNP0283346.0 [2,0,0,0,0,0|2,0,0]=4 279 B7R1.3 NC1=CC=CC=C1 CNP0102805.0 [2,0,0,0,0,0|1,0,0]=3 280 B7R1.3 NC1=CC=CC=N1 CNP0140161.0 [2,0,0,0,0,0|2,0,0]=4 281 B7R1.3 NC1=CC=CN=C1 CNP0113226.0 [2,0,0,0,0,0|2,0,0]=4 282 B7R1.3 NC1=CC=NC=C1 CNP0484010.0 [2,0,0,0,0,0|2,0,0]=4 283 B7R1.3 NC1=CC=[NH+]C=C1 CNP0584651.0 [2,0,0,0,0,0|2,0,0]=4 284 B7R1.3 O=C1C=CC=CC1 CNP0572434.0 [2,0,0,0,0,0|0,0,2]=4 285 B7R1.3 O=C1C=CC=CN1 CNP0533527.0 [2,0,0,0,0,0|1,0,1]=4 286 B7R1.3 O=C1C=CC=CO1 CNP0166350.0 [2,0,0,0,0,0|1,0,1]=4 287 B7R1.3 O=C1C=CNC=C1 CNP0415820.0 [2,0,0,0,0,0|1,0,1]=4 288 B7R1.3 O=C1C=COC=C1 CNP0143392.0 [2,0,0,0,0,0|1,0,1]=4 289 B7R1.3 OC1=CC=CC=C1 CNP0155356.0 [2,0,0,0,0,0|0,0,0]=2 290 B7R1.3 OC1=CC=CC=N1 CNP0105400.0 [2,0,0,0,0,0|1,0,0]=3 291 B7R1.3 OC1=CC=CN=C1 CNP0191812.0 [2,0,0,0,0,0|1,0,0]=3 292 B7R1.3 OC1=CC=NC=C1 CNP0509843.0 [2,0,0,0,0,0|1,0,0]=3 293 B7R1.3 SC1=CC=CC=C1 CNP0138972.0 [2,0,0,0,0,0|0,1,0]=3 294 B7R1.3 SC1=CC=CC=N1 CNP0567350.0 [2,0,0,0,0,0|1,1,0]=4 295 B9R0.1 C=CC(=CC=CC(=C)C)C CNP0243185.0 [0,1,1,0,0,0|1,0,0]=3 296 B9R0.5 C=COC(=O)C=CC=CC CNP0588574.0 [0,1,1,0,0,0|0,0,2]=4 297 B9R1.2 C=CC1=CN=CC(=N1)C CNP0169633.0 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.2 CC1=CC=CC(=C1)C#N CNP0238914.0 [1,1,0,0,0,0|1,0,1]=4 299 B9R1.2 CC1=CC=CC(=C1)C=O CNP0352234.0 [1,1,0,0,0,0|1,0,0]=3 300 B9R1.2 CC1=CC=CC(=C1)CBr CNP0097763.0 [1,1,0,0,0,0|1,0,1]=4 301 B9R1.2 CCC1=CC=CC(=C1)C CNP0313685.0 [1,1,0,0,0,0|0,0,2]=4 302 B9R1.2 CCC1=CC=CC(=C1)O CNP0135916.0 [1,1,0,0,0,0|0,0,2]=4 303 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [1,1,0,0,0,0|1,0,1]=4 304 B9R1.2 COC1=CC=CC(=C1)Cl CNP0167565.0 [1,1,0,0,0,0|1,0,1]=4 305 B9R1.2 COC1=CC=CC(=C1)N CNP0079992.0 [1,1,0,0,0,0|1,0,1]=4 306 B9R1.2 COC1=CC=CC(=C1)O CNP0268248.0 [1,1,0,0,0,0|1,0,1]=4 307 B9R1.2 N#CC1=CC=CC(=C1)Br CNP0017704.0 [1,1,0,0,0,0|1,0,1]=4 308 B9R1.2 N#CC1=CC=CC(=C1)O CNP0104146.0 [1,1,0,0,0,0|1,0,1]=4 309 B9R1.2 NCC1=CC=CC(=C1)O CNP0366572.0 [1,1,0,0,0,0|1,0,1]=4 310 B9R1.2 O=CC1=CC=CC(=C1)Cl CNP0001454.0 [1,1,0,0,0,0|1,0,0]=3 311 B9R1.2 O=CC1=CC=CC(=C1)O CNP0106037.0 [1,1,0,0,0,0|1,0,0]=3 312 B9R1.2 OCC1=CC=CC(=C1)I CNP0564021.0 [1,1,0,0,0,0|1,0,1]=4 313 B9R1.2 OCC1=CC=CC(=C1)O CNP0315716.0 [1,1,0,0,0,0|1,0,1]=4 314 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [1,1,0,0,0,0|0,0,0]=2 315 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [1,1,0,0,0,0|1,0,0]=3 316 B9R1.6 C=C(C)C1=CN=CC=N1 CNP0251085.0 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [1,1,0,0,0,0|0,0,1]=3 318 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [1,1,0,0,0,0|1,0,1]=4 319 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [1,1,0,0,0,0|1,0,1]=4 320 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [1,1,0,0,0,0|1,0,1]=4 321 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [1,1,0,0,0,0|0,0,2]=4 322 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [1,1,0,0,0,0|1,0,1]=4 323 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [1,1,0,0,0,0|0,0,2]=4 324 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [1,1,0,0,0,0|0,0,2]=4 325 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [1,1,0,0,0,0|0,0,2]=4 326 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [1,1,0,0,0,0|0,0,2]=4 327 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [1,1,0,0,0,0|1,0,1]=4 328 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [1,1,0,0,0,0|1,0,0]=3 329 B9R1.6 N=C(S)C1=CC=CN=C1 CNP0553237.0 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [1,1,0,0,0,0|1,0,0]=3 331 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.6 NC(=S)C1=CC=CN=C1 CNP0184066.0 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [1,1,0,0,0,0|1,0,0]=3 339 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [1,1,0,0,0,0|1,0,0]=3 343 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [1,1,0,0,0,0|1,0,0]=3 344 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [1,1,0,0,0,0|1,0,0]=3 345 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [1,1,0,0,0,0|1,0,0]=3 346 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [1,1,0,0,0,0|0,0,0]=2 355 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [1,1,0,0,0,0|0,0,0]=2 356 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [1,1,0,0,0,0|0,0,0]=2 357 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [1,1,0,0,0,0|0,0,0]=2 358 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.8 CC=CC1=CN=CC=N1 CNP0232849.0 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [1,1,0,0,0,0|0,0,2]=4 361 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [1,1,0,0,0,0|0,0,2]=4 362 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [1,1,0,0,0,0|0,0,2]=4 363 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [1,1,0,0,0,0|0,0,2]=4 364 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [1,1,0,0,0,0|0,0,2]=4 365 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [1,1,0,0,0,0|0,0,2]=4 366 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [1,1,0,0,0,0|1,0,1]=4 367 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [1,1,0,0,0,0|0,0,2]=4 368 B9R1.8 N#CSC1=CC=CC=C1 CNP0290817.0 [1,1,0,0,0,0|1,0,1]=4 369 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [1,1,0,0,0,0|0,0,2]=4 370 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [1,1,0,0,0,0|0,0,2]=4 371 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [1,1,0,0,0,0|1,0,1]=4 372 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [1,1,0,0,0,0|0,0,1]=3 373 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [1,1,0,0,0,0|1,0,0]=3 374 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [1,1,0,0,0,0|1,0,0]=3 376 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [1,1,0,0,0,0|0,0,2]=4 377 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [1,1,0,0,0,0|1,0,0]=3 378 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [1,1,0,0,0,0|1,0,1]=4 379 B9R1.8 S=C=NC1=CC=CC=C1 CNP0191691.0 [1,1,0,0,0,0|1,0,1]=4 380 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [1,1,0,0,0,0|0,0,2]=4 381 B9R1.15 C=CC1=CC=CC=C1C CNP0569304.0 [1,1,0,0,0,0|0,0,0]=2 382 B9R1.15 C=CC1=CC=CC=C1O CNP0164207.0 [1,1,0,0,0,0|0,0,0]=2 383 B9R1.15 C=CC1=NC=CN=C1C CNP0133832.0 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.15 CC1=CC=CC=C1C#N CNP0120357.0 [1,1,0,0,0,0|1,0,1]=4 385 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.15 CC1=CC=CC=C1CCl CNP0029564.0 [1,1,0,0,0,0|1,0,1]=4 387 B9R1.15 CC1=CC=CC=C1CO CNP0113926.0 [1,1,0,0,0,0|1,0,1]=4 388 B9R1.15 CC1=CC=CC=C1I=O CNP0563313.0 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.15 CCC1=CC=CC=C1Br CNP0315528.0 [1,1,0,0,0,0|0,0,2]=4 390 B9R1.15 CCC1=CC=CC=C1C CNP0106326.0 [1,1,0,0,0,0|0,0,2]=4 391 B9R1.15 CCC1=CC=CC=C1N CNP0197081.0 [1,1,0,0,0,0|0,0,2]=4 392 B9R1.15 CCC1=CC=CC=C1O CNP0206933.0 [1,1,0,0,0,0|0,0,2]=4 393 B9R1.15 CCC1=CC=CC=C1S CNP0371262.0 [1,1,0,0,0,0|0,0,2]=4 394 B9R1.15 COC1=CC=CC=C1C CNP0180967.0 [1,1,0,0,0,0|1,0,1]=4 395 B9R1.15 COC1=CC=CC=C1N CNP0071243.0 [1,1,0,0,0,0|1,0,1]=4 396 B9R1.15 COC1=CC=CC=C1O CNP0269885.0 [1,1,0,0,0,0|1,0,1]=4 397 B9R1.15 CSC1=CC=CC=C1O CNP0318961.0 [1,1,0,0,0,0|1,0,1]=4 398 B9R1.15 NC1=CC=CC=C1C=O CNP0254479.0 [1,1,0,0,0,0|1,0,0]=3 399 B9R1.15 NC1=CC=CC=C1CO CNP0420692.0 [1,1,0,0,0,0|1,0,1]=4 400 B9R1.15 NCC1=CC=CC=C1O CNP0216216.0 [1,1,0,0,0,0|1,0,1]=4 401 B9R1.15 NNC1=CC=CC=C1Cl CNP0024117.0 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.15 O=CC1=CC=CC=C1Cl CNP0042746.0 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.15 O=CC1=CC=CC=C1O CNP0132365.0 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.15 OCC1=CC=CC=C1O CNP0104167.0 [1,1,0,0,0,0|1,0,1]=4 405 B9R1.15 SCC1=CC=CC=C1I CNP0505108.0 [1,1,0,0,0,0|1,0,1]=4 406 B9R1.15 [C-]#[N+]C1=CC=CC=C1C CNP0486531.0 [1,1,0,0,0,0|1,0,1]=4 407 B9R1.69 C=C1C=C[C@@H](C(=C1)Cl)Cl CNP0546368.1 [1,1,0,0,0,0|1,0,1]=4 408 B9R1.69 CC1=CC(=CC=C1Br)Cl CNP0064949.0 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.69 CC1=CC(=CC=C1Br)N CNP0054285.0 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.69 CC1=CC(=CC=C1Br)O CNP0025703.0 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.69 CC1=CC(=CC=C1Cl)Br CNP0266846.0 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.69 CC1=CC(=CC=C1Cl)N CNP0024502.0 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.69 CC1=CC(=CC=C1Cl)O CNP0329015.0 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.69 CC1=CC(=CC=C1N)Br CNP0038450.0 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.69 CC1=CC(=CC=C1N)Cl CNP0245359.0 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.69 CC1=CC(=CC=C1O)O CNP0324010.0 [1,1,0,0,0,0|1,0,0]=3 417 B9R1.69 CC1=CC(=O)C(=CO1)O CNP0142931.0 [1,1,0,0,0,0|1,0,1]=4 418 B9R1.69 CC1=CC(=O)C=CC1=O CNP0221358.0 [1,1,0,0,0,0|1,0,1]=4 419 B9R1.69 CC1=CC=C(C(=C1)Br)Br CNP0060402.0 [1,1,0,0,0,0|1,0,1]=4 420 B9R1.69 CC1=CC=C(C(=C1)Br)N CNP0031609.0 [1,1,0,0,0,0|1,0,1]=4 421 B9R1.69 CC1=CC=C(C(=C1)C)Br CNP0365794.0 [1,1,0,0,0,0|1,0,1]=4 422 B9R1.69 CC1=CC=C(C(=C1)C)C CNP0110255.0 [1,1,0,0,0,0|1,0,1]=4 423 B9R1.69 CC1=CC=C(C(=C1)C)Cl CNP0093284.0 [1,1,0,0,0,0|1,0,1]=4 424 B9R1.69 CC1=CC=C(C(=C1)C)N CNP0375981.0 [1,1,0,0,0,0|1,0,1]=4 425 B9R1.69 CC1=CC=C(C(=C1)C)O CNP0080029.0 [1,1,0,0,0,0|0,0,1]=3 426 B9R1.69 CC1=CC=C(C(=C1)Cl)C CNP0337392.0 [1,1,0,0,0,0|1,0,1]=4 427 B9R1.69 CC1=CC=C(C(=C1)Cl)Cl CNP0253916.0 [1,1,0,0,0,0|1,0,1]=4 428 B9R1.69 CC1=CC=C(C(=C1)Cl)N CNP0363714.0 [1,1,0,0,0,0|1,0,1]=4 429 B9R1.69 CC1=CC=C(C(=C1)Cl)O CNP0145784.0 [1,1,0,0,0,0|0,0,1]=3 430 B9R1.69 CC1=CC=C(C(=C1)N)Br CNP0057363.0 [1,1,0,0,0,0|1,0,1]=4 431 B9R1.69 CC1=CC=C(C(=C1)N)C CNP0307574.0 [1,1,0,0,0,0|1,0,1]=4 432 B9R1.69 CC1=CC=C(C(=C1)N)Cl CNP0495286.0 [1,1,0,0,0,0|1,0,1]=4 433 B9R1.69 CC1=CC=C(C(=C1)N)N CNP0080098.0 [1,1,0,0,0,0|1,0,1]=4 434 B9R1.69 CC1=CC=C(C(=C1)N)O CNP0421546.0 [1,1,0,0,0,0|0,0,1]=3 435 B9R1.69 CC1=CC=C(C(=C1)N)S CNP0463153.0 [1,1,0,0,0,0|0,1,1]=4 436 B9R1.69 CC1=CC=C(C(=C1)O)C CNP0172791.0 [1,1,0,0,0,0|1,0,1]=4 437 B9R1.69 CC1=CC=C(C(=C1)O)O CNP0114802.0 [1,1,0,0,0,0|0,0,1]=3 438 B9R1.69 CC1=CC=C(C(=N1)C)O CNP0056515.0 [1,1,0,0,0,0|1,0,1]=4 439 B9R1.69 CC1=CC=C(C=C1Br)Cl CNP0186814.0 [1,1,0,0,0,0|1,0,1]=4 440 B9R1.69 CC1=CC=C(C=C1C)Br CNP0125395.0 [1,1,0,0,0,0|1,0,1]=4 441 B9R1.69 CC1=CC=C(C=C1C)Cl CNP0482651.0 [1,1,0,0,0,0|1,0,1]=4 442 B9R1.69 CC1=CC=C(C=C1C)N CNP0171920.0 [1,1,0,0,0,0|1,0,1]=4 443 B9R1.69 CC1=CC=C(C=C1C)O CNP0160429.0 [1,1,0,0,0,0|0,0,1]=3 444 B9R1.69 CC1=CC=C(C=C1Cl)N CNP0028854.0 [1,1,0,0,0,0|1,0,1]=4 445 B9R1.69 CC1=CC=C(C=C1N)N CNP0023048.0 [1,1,0,0,0,0|1,0,1]=4 446 B9R1.69 CC1=CC=C(C=C1O)O CNP0256040.0 [1,1,0,0,0,0|0,0,1]=3 447 B9R1.69 ClC1=CC=C(C(=C1)Cl)Cl CNP0206286.0 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.69 N=C1C=CC(=O)C(=C1)O CNP0274436.0 [1,1,0,0,0,0|1,0,1]=4 449 B9R1.69 NC1=CC(=CC=C1Cl)Cl CNP0040093.0 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.69 NC1=CC(=CC=C1O)O CNP0176630.0 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.69 NC1=CC(=CC=C1S)Cl CNP0458275.0 [1,1,0,0,0,0|1,1,0]=4 452 B9R1.69 NC1=CC=C(C(=C1)N)N CNP0131312.0 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.69 NC1=CC=C(C(=C1)N)O CNP0003471.0 [1,1,0,0,0,0|1,0,0]=3 454 B9R1.69 NC1=CC=C(C=C1Br)Br CNP0063783.0 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.69 NC1=CC=C(C=C1Cl)Cl CNP0048955.0 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.69 O=C1C=CC(=O)C(=C1)O CNP0230039.0 [1,1,0,0,0,0|1,0,1]=4 457 B9R1.69 OC1=CC(=CC=C1Cl)Cl CNP0236901.0 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.69 OC1=CC=C(C(=C1)Br)O CNP0161760.0 [1,1,0,0,0,0|1,0,0]=3 459 B9R1.69 OC1=CC=C(C(=C1)Cl)Cl CNP0386646.0 [1,1,0,0,0,0|1,0,0]=3 460 B9R1.69 OC1=CC=C(C(=C1)Cl)O CNP0331365.0 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.69 OC1=CC=C(C(=C1)O)O CNP0187325.0 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.69 OC1=CC=C(C=C1Br)Br CNP0216116.0 [1,1,0,0,0,0|1,0,0]=3 463 B9R1.69 OC1=CC=C(C=C1Cl)Cl CNP0401033.0 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.21 C=CC1=CC=C(N1)C=O CNP0303853.0 [0,1,0,0,1,0|1,0,1]=4 465 B9R1.21 COC1=CC=C(O1)C=O CNP0184831.0 [0,1,0,0,1,0|2,0,0]=4 466 B9R1.21 O=CC1=CC(=CO1)CO CNP0105622.0 [0,1,0,0,1,0|2,0,0]=4 467 B9R1.21 O=CC1=CC=C(N1)CO CNP0146563.0 [0,1,0,0,1,0|2,0,0]=4 468 B9R1.21 O=CC1=CC=C(O1)CO CNP0222574.0 [0,1,0,0,1,0|2,0,0]=4 469 B9R1.22 C=CC1=C[C@H](OC1=O)O CNP0420562.1 [0,1,0,0,1,0|1,0,1]=4 470 B9R1.22 CC1=C(OC(=C1)O)C=O CNP0522144.0 [0,1,0,0,1,0|2,0,0]=4 471 B9R1.35 O=C(O)C1=CC(=CN1)O CNP0363770.0 [0,1,0,0,1,0|2,0,0]=4 472 B9R1.35 O=C(O)C1=CC=C(O1)O CNP0082303.0 [0,1,0,0,1,0|2,0,0]=4 473 B9R1.132 CC1=C(OC=C1O)C=O CNP0517113.0 [0,1,0,0,1,0|2,0,0]=4 474 B11R1.958 CCC1=CC=C(C(=O)C=C1)O CNP0121485.0 [0,1,0,0,0,1|0,0,2]=4 475 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [0,2,0,0,0,0|0,0,0]=2 476 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [0,2,0,0,0,0|1,0,0]=3 477 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [0,2,0,0,0,0|0,0,0]=2 478 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [0,2,0,0,0,0|0,0,2]=4 479 B11R1.1 CCCOC1=CC=C(C=C1)O CNP0079194.0 [0,2,0,0,0,0|0,0,2]=4 480 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [0,2,0,0,0,0|0,0,2]=4 481 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [0,2,0,0,0,0|0,0,2]=4 482 B11R1.1 NCCCC1=CC=C(C=C1)O CNP0268831.0 [0,2,0,0,0,0|0,0,2]=4 483 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [0,2,0,0,0,0|0,0,0]=2 484 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [0,2,0,0,0,0|0,0,1]=3 485 B11R1.1 OC1=CC=C(C=C1)CN=C=S CNP0343490.0 [0,2,0,0,0,0|0,0,2]=4 486 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [0,2,0,0,0,0|0,0,0]=2 487 B11R1.1 OCCCC1=CC=C(C=C1)O CNP0319332.0 [0,2,0,0,0,0|0,0,2]=4 488 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [0,2,0,0,0,0|0,0,1]=3 489 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,2,0,0,0,0|0,0,0]=2 490 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,2,0,0,0,0|1,0,1]=4 491 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,2,0,0,0,0|0,0,1]=3 492 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,2,0,0,0,0|0,0,2]=4 493 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,2,0,0,0,0|1,0,1]=4 494 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,2,0,0,0,0|1,0,1]=4 495 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,2,0,0,0,0|1,0,1]=4 496 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,2,0,0,0,0|1,0,1]=4 497 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,2,0,0,0,0|0,0,1]=3 498 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,2,0,0,0,0|0,0,2]=4 499 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,2,0,0,0,0|0,0,2]=4 500 B11R1.20 N=C(N)NC1=CC=C(C=C1)Cl CNP0139549.0 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [0,2,0,0,0,0|0,0,1]=3 502 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [0,2,0,0,0,0|1,0,0]=3 504 B11R1.20 NC(=S)NC1=CC=C(C=C1)Br CNP0055788.0 [0,2,0,0,0,0|2,0,0]=4 505 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,2,0,0,0,0|1,0,1]=4 506 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,2,0,0,0,0|1,0,1]=4 507 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,2,0,0,0,0|0,0,1]=3 508 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [0,2,0,0,0,0|2,0,0]=4 509 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [0,2,0,0,0,0|0,0,1]=3 510 B11R1.22 C=C[C@@H](O)C1=CC=C(C=C1)O CNP0280373.2 [0,2,0,0,0,0|0,0,0]=2 511 B11R1.22 C=C[C@H](O)C1=CC=C(C=C1)O CNP0280373.1 [0,2,0,0,0,0|0,0,0]=2 512 B11R1.22 CC1=CC=C(C=C1)C(=NO)N CNP0330819.0 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.22 CC1=CC=C(C=C1)C(=O)NO CNP0029154.0 [0,2,0,0,0,0|2,0,0]=4 514 B11R1.22 CC1=CC=C(C=C1)C(C)C=O CNP0371792.0 [0,2,0,0,0,0|1,0,1]=4 515 B11R1.22 CCC(=O)C1=CC=C(C=C1)N CNP0245250.0 [0,2,0,0,0,0|1,0,1]=4 516 B11R1.22 CCC(=O)C1=CC=C(C=C1)O CNP0353024.0 [0,2,0,0,0,0|0,0,1]=3 517 B11R1.22 CCC(O)C1=CC=C(C=C1)O CNP0386254.0 [0,2,0,0,0,0|0,0,2]=4 518 B11R1.22 CC[C@@H](C)C1=CC=C(C=C1)O CNP0374132.1 [0,2,0,0,0,0|0,0,2]=4 519 B11R1.22 CNC(=O)C1=CC=C(C=C1)C CNP0126468.0 [0,2,0,0,0,0|1,0,1]=4 520 B11R1.22 COC(=O)C1=CC=C(C=C1)C CNP0137727.0 [0,2,0,0,0,0|1,0,1]=4 521 B11R1.22 COC(=O)C1=CC=C(C=C1)N CNP0162858.0 [0,2,0,0,0,0|1,0,1]=4 522 B11R1.22 COC(=O)C1=CC=C(C=C1)O CNP0259416.0 [0,2,0,0,0,0|0,0,1]=3 523 B11R1.22 CO[C@H](C)C1=CC=C(C=C1)O CNP0294754.1 [0,2,0,0,0,0|0,0,2]=4 524 B11R1.22 N#C[C@@H](O)C1=CC=C(C=C1)O CNP0245965.1 [0,2,0,0,0,0|0,0,2]=4 525 B11R1.22 N#C[C@H](O)C1=CC=C(C=C1)O CNP0245965.2 [0,2,0,0,0,0|0,0,2]=4 526 B11R1.22 NC[C@@H](O)C1=CC=C(C=C1)O CNP0139359.1 [0,2,0,0,0,0|0,0,2]=4 527 B11R1.22 NC[C@H](O)C1=CC=C(C=C1)O CNP0139359.2 [0,2,0,0,0,0|0,0,2]=4 528 B11R1.22 NNC(=O)C1=CC=C(C=C1)Cl CNP0071039.0 [0,2,0,0,0,0|2,0,0]=4 529 B11R1.22 NNC(=O)C1=CC=C(C=C1)O CNP0382573.0 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br CNP0077206.0 [0,2,0,0,0,0|1,0,1]=4 531 B11R1.22 O=C(CO)C1=CC=C(C=C1)O CNP0183122.0 [0,2,0,0,0,0|0,0,1]=3 532 B11R1.22 O=C(NO)C1=CC=C(C=C1)Br CNP0218698.0 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.22 O=CC(=O)C1=CC=C(C=C1)O CNP0271271.0 [0,2,0,0,0,0|0,0,0]=2 534 B11R1.22 OC[C@@H](O)C1=CC=C(C=C1)O CNP0398619.1 [0,2,0,0,0,0|0,0,2]=4 535 B11R1.22 OC[C@H](O)C1=CC=C(C=C1)O CNP0398619.2 [0,2,0,0,0,0|0,0,2]=4 536 B11R1.22 ON=C(Cl)C1=CC=C(C=C1)Cl CNP0052470.0 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.81 C=CCC1=CC=C(C=C1O)O CNP0329689.0 [0,2,0,0,0,0|0,0,0]=2 538 B11R1.81 CC1=CC(=CC=C1NC=O)Cl CNP0105293.0 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.81 CC=CC1=CC=C(C=C1O)O CNP0287059.0 [0,2,0,0,0,0|0,0,0]=2 540 B11R1.81 N#CCC1=CC=C(C=C1O)O CNP0137512.0 [0,2,0,0,0,0|0,0,2]=4 541 B11R1.81 OCCC1=CC=C(C=C1O)O CNP0163682.0 [0,2,0,0,0,0|0,0,2]=4 542 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [0,2,0,0,0,0|0,0,0]=2 543 B11R1.83 CC=CC1=CC=C(C=C1)OC CNP0402035.0 [0,2,0,0,0,0|0,0,0]=2 544 B11R1.83 CC=CC1=CCC(C=C1)OC CNP0609217.0 [0,2,0,0,0,0|0,0,2]=4 545 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [0,2,0,0,0,0|0,0,2]=4 546 B11R1.83 CCOC1=CC=C(C=C1)C=O CNP0125855.0 [0,2,0,0,0,0|1,0,0]=3 547 B11R1.83 CCOC1=CC=C(C=C1)CO CNP0278439.0 [0,2,0,0,0,0|0,0,2]=4 548 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [0,2,0,0,0,0|0,0,2]=4 549 B11R1.83 COC1=CC=C(C=C1)C=NN CNP0396597.0 [0,2,0,0,0,0|1,0,0]=3 550 B11R1.83 COC1=CC=C(C=C1)C=NO CNP0150314.0 [0,2,0,0,0,0|1,0,0]=3 551 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [0,2,0,0,0,0|0,0,1]=3 552 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [0,2,0,0,0,0|0,0,2]=4 553 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [0,2,0,0,0,0|0,0,2]=4 554 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [0,2,0,0,0,0|0,0,2]=4 555 B11R1.83 NOC1=CC=C(C=C1)CC=O CNP0170203.0 [0,2,0,0,0,0|0,0,1]=3 556 B11R1.192 C=CCC1=CC=C(C(=C1)C)O CNP0539736.0 [0,2,0,0,0,0|0,0,0]=2 557 B11R1.192 C=CCC1=CC=C(C(=C1)O)O CNP0278721.0 [0,2,0,0,0,0|0,0,0]=2 558 B11R1.192 CC=CC1=CC=C(C(=C1)C)C CNP0488892.0 [0,2,0,0,0,0|1,0,0]=3 559 B11R1.192 CC=CC1=CC=C(C(=C1)O)O CNP0370461.0 [0,2,0,0,0,0|0,0,0]=2 560 B11R1.192 COCC1=CC=C(C(=C1)Br)O CNP0105261.0 [0,2,0,0,0,0|0,0,2]=4 561 B11R1.192 COCC1=CC=C(C(=C1)O)O CNP0408139.0 [0,2,0,0,0,0|0,0,2]=4 562 B11R1.192 N#CCC1=CC=C(C(=C1)Br)O CNP0142450.0 [0,2,0,0,0,0|0,0,2]=4 563 B11R1.192 NCCC1=CC=C(C(=C1)Br)O CNP0107317.0 [0,2,0,0,0,0|0,0,2]=4 564 B11R1.192 NCCC1=CC=C(C(=C1)Cl)O CNP0576198.0 [0,2,0,0,0,0|0,0,2]=4 565 B11R1.192 NCCC1=CC=C(C(=C1)I)O CNP0147812.0 [0,2,0,0,0,0|0,0,2]=4 566 B11R1.192 NCCC1=CC=C(C(=C1)O)O CNP0254743.0 [0,2,0,0,0,0|0,0,2]=4 567 B11R1.192 O=CCC1=CC=C(C(=C1)O)O CNP0123574.0 [0,2,0,0,0,0|0,0,1]=3 568 B11R1.192 OC=CC1=CC=C(C(=C1)O)O CNP0157779.0 [0,2,0,0,0,0|0,0,0]=2 569 B11R1.192 OCCC1=CC=C(C(=C1)Cl)O CNP0294538.0 [0,2,0,0,0,0|0,0,2]=4 570 B11R1.192 OCCC1=CC=C(C(=C1)O)O CNP0275287.0 [0,2,0,0,0,0|0,0,2]=4 571 B11R1.192 ON=CC1=CC=C(C(=C1)Cl)Cl CNP0052096.0 [0,2,0,0,0,0|2,0,0]=4 572 B11R1.192 ON=CC1=CC=C(C(=C1)O)O CNP0372159.0 [0,2,0,0,0,0|1,0,0]=3 573 B11R1.3 C=C(C)C1=CC=C(C=C1)C=O CNP0243600.0 [0,2,0,0,0,0|0,0,1]=3 574 B11R1.3 C=CC1=CC=C(C=C1)C(=O)O CNP0513206.0 [0,2,0,0,0,0|0,0,0]=2 575 B11R1.3 C=CC1=CC=C(C=C1)[N+](=O)[O-] CNP0552467.0 [0,2,0,0,0,0|0,0,1]=3 576 B11R1.3 CC(C)C1=CC=C(C=C1)C=O CNP0195353.0 [0,2,0,0,0,0|2,0,0]=4 577 B11R1.3 CC(C)C1=CC=C(C=C1)CO CNP0157328.0 [0,2,0,0,0,0|0,0,2]=4 578 B11R1.3 CCC1=CC=C(C=C1)C(=O)C CNP0409725.0 [0,2,0,0,0,0|1,0,1]=4 579 B11R1.3 CCC1=CC=C(C=C1)C(=O)Cl CNP0268451.0 [0,2,0,0,0,0|2,0,0]=4 580 B11R1.3 CCC1=CC=C(C=C1)C(=O)O CNP0225284.0 [0,2,0,0,0,0|0,0,2]=4 581 B11R1.3 CCC1=CC=C(C=C1)C(C)O CNP0483491.0 [0,2,0,0,0,0|0,0,2]=4 582 B11R1.3 CN(C)C1=CC=C(C=C1)C=O CNP0077269.0 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.3 CNC1=CC=C(C=C1)C(=O)N CNP0151690.0 [0,2,0,0,0,0|2,0,0]=4 584 B11R1.3 CNC1=CC=C(C=C1)C(=O)O CNP0384043.0 [0,2,0,0,0,0|1,0,1]=4 585 B11R1.3 COC1=CC=C(C=C1)C(=O)C CNP0278778.0 [0,2,0,0,0,0|0,0,1]=3 586 B11R1.3 COC1=CC=C(C=C1)C(=O)Cl CNP0132459.0 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.3 COC1=CC=C(C=C1)C(=O)N CNP0301578.0 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.3 COC1=CC=C(C=C1)C(=O)O CNP0249583.0 [0,2,0,0,0,0|1,0,0]=3 589 B11R1.3 COC1=CC=C(C=C1)C(C)C CNP0579655.0 [0,2,0,0,0,0|0,0,2]=4 590 B11R1.3 COC1=CC=C(C=C1)S(=O)=O CNP0546840.0 [0,2,0,0,0,0|2,0,0]=4 591 B11R1.3 COC1=CC=C(C=C1)[C@@H](C)O CNP0137067.1 [0,2,0,0,0,0|0,0,2]=4 592 B11R1.3 COC1=CC=C(C=C1)[C@H](C)O CNP0137067.2 [0,2,0,0,0,0|0,0,2]=4 593 B11R1.3 COC1=CC=C(C=C1)[N+](=O)[O-] CNP0529321.0 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.3 COC1=CC=C(C=N1)C(=O)O CNP0193366.0 [0,2,0,0,0,0|2,0,0]=4 595 B11R1.3 C[C@H](O)C1=CC=C(C=C1)CN CNP0285277.1 [0,2,0,0,0,0|1,0,1]=4 596 B11R1.3 N=C(N)C1=CC=C(C=C1)CO CNP0538399.0 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.3 NC(=O)C1=CC=C(C=C1)C=O CNP0575281.0 [0,2,0,0,0,0|1,0,1]=4 598 B11R1.3 NNC1=CC=C(C=C1)C(=O)O CNP0496695.0 [0,2,0,0,0,0|2,0,0]=4 599 B11R1.3 O=C(Cl)C1=CC=C(C=C1)CBr CNP0050291.0 [0,2,0,0,0,0|2,0,0]=4 600 B11R1.3 O=C(O)C1=CC=C(C=C1)CO CNP0163373.0 [0,2,0,0,0,0|1,0,0]=3 601 B11R1.3 O=C(O)C1=CC=C(C=C1)[Hg]O CNP0547098.0 [0,2,0,0,0,0|1,0,0]=3 602 B11R1.3 O=CC1=CC=C(C=C1)C(=O)O CNP0158402.0 [0,2,0,0,0,0|1,0,0]=3 603 B11R1.3 O=CC1=CC=C(C=C1)[N+](=O)[O-] CNP0489074.0 [0,2,0,0,0,0|1,0,1]=4 604 B11R1.3 O=NC1=CC=C(C=C1)C(=O)O CNP0442117.0 [0,2,0,0,0,0|1,0,1]=4 605 B11R1.3 [2H]C(=O)C1=CC=C(C=C1)OC CNP0490657.0 [0,2,0,0,0,0|1,0,0]=3 606 B11R1.279 C=CC1=CC=C(C(=C1)O)OC CNP0342720.0 [0,2,0,0,0,0|0,0,0]=2 607 B11R1.279 CC1=CC(=CC=C1C=O)C=O CNP0301871.0 [0,2,0,0,0,0|1,0,1]=4 608 B11R1.279 CC1=CC(=CC=C1OP)C=O CNP0344714.0 [0,2,0,0,0,0|1,0,0]=3 609 B11R1.279 CC1=CC(=NO)C=CC1=NO CNP0317320.0 [0,2,0,0,0,0|2,0,0]=4 610 B11R1.279 CCC1=CC=C(C(=C1)O)OC CNP0241141.0 [0,2,0,0,0,0|0,0,2]=4 611 B11R1.279 COC1=CC=C(C(=C1)Br)OC CNP0224499.0 [0,2,0,0,0,0|1,0,1]=4 612 B11R1.279 COC1=CC=C(C(=C1)C)OC CNP0235109.0 [0,2,0,0,0,0|1,0,1]=4 613 B11R1.279 COC1=CC=C(C(=C1)Cl)OC CNP0294313.0 [0,2,0,0,0,0|1,0,1]=4 614 B11R1.279 COC1=CC=C(C(=C1)N)OC CNP0151673.0 [0,2,0,0,0,0|1,0,1]=4 615 B11R1.279 COC1=CC=C(C(=C1)O)C=O CNP0298651.0 [0,2,0,0,0,0|1,0,0]=3 616 B11R1.279 COC1=CC=C(C(=C1)O)OC CNP0373176.0 [0,2,0,0,0,0|1,0,1]=4 617 B11R1.279 COC1=CC=C(C=C1Br)C=O CNP0185743.0 [0,2,0,0,0,0|1,0,0]=3 618 B11R1.279 COC1=CC=C(C=C1Br)CO CNP0163543.0 [0,2,0,0,0,0|1,0,1]=4 619 B11R1.279 COC1=CC=C(C=C1C)C=O CNP0009035.0 [0,2,0,0,0,0|1,0,0]=3 620 B11R1.279 COC1=CC=C(C=C1Cl)C=O CNP0247895.0 [0,2,0,0,0,0|1,0,0]=3 621 B11R1.279 COC1=CC=C(C=C1Cl)CO CNP0187706.0 [0,2,0,0,0,0|1,0,1]=4 622 B11R1.279 COC1=CC=C(C=C1O)C=O CNP0420166.0 [0,2,0,0,0,0|1,0,0]=3 623 B11R1.279 COC1=CC=C(C=C1O)CN CNP0009082.0 [0,2,0,0,0,0|1,0,1]=4 624 B11R1.279 COC1=CC=C(C=C1O)CO CNP0153100.0 [0,2,0,0,0,0|1,0,1]=4 625 B11R1.279 NCC1=CC=C(C(=C1)O)CO CNP0119562.0 [0,2,0,0,0,0|1,0,1]=4 626 B11R1.19 O=P(O)(O)C1=CC=C(C=C1)O CNP0475877.0 [0,2,0,0,0,0|2,0,0]=4 627 B11R1.19 O=S(=O)(O)C1=CC=C(C=C1)O CNP0102094.0 [0,2,0,0,0,0|2,0,0]=4 628 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [0,2,0,0,0,0|1,0,0]=3 629 B11R1.21 C=C(C)C1=CC=C(C(=O)C1)C CNP0377811.0 [0,2,0,0,0,0|1,0,1]=4 630 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [0,2,0,0,0,0|1,0,1]=4 631 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [0,2,0,0,0,0|0,0,1]=3 632 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [0,2,0,0,0,0|1,0,1]=4 633 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [0,2,0,0,0,0|0,0,1]=3 634 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [0,2,0,0,0,0|1,0,0]=3 635 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [0,2,0,0,0,0|0,0,2]=4 636 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [0,2,0,0,0,0|2,0,0]=4 639 B11R1.21 NC(=O)C1=CC=C(C(=C1)N)O CNP0336966.0 [0,2,0,0,0,0|1,0,0]=3 640 B11R1.21 NC(=O)C1=CC=C(C(=C1)O)O CNP0582162.0 [0,2,0,0,0,0|1,0,0]=3 641 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [0,2,0,0,0,0|1,0,0]=3 642 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [0,2,0,0,0,0|2,0,0]=4 643 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [0,2,0,0,0,0|2,0,0]=4 644 B11R1.21 O=C(O)C1=CC(=O)C(=CO1)O CNP0498099.0 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [0,2,0,0,0,0|1,0,0]=3 646 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [0,2,0,0,0,0|1,0,0]=3 647 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [0,2,0,0,0,0|1,0,0]=3 648 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)Cl)O CNP0491874.0 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)O CNP0593657.0 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.166 CC(=O)C1=CC=C(C=C1C)C CNP0090387.0 [0,2,0,0,0,0|1,0,1]=4 651 B11R1.166 CC(=O)C1=CC=C(C=C1C)O CNP0234659.0 [0,2,0,0,0,0|0,0,1]=3 652 B11R1.166 CC(=O)C1=CC=C(C=C1O)C CNP0265619.0 [0,2,0,0,0,0|1,0,1]=4 653 B11R1.166 CC(=O)C1=CC=C(C=C1O)N CNP0529513.0 [0,2,0,0,0,0|1,0,1]=4 654 B11R1.166 CC(=O)C1=CC=C(C=C1O)O CNP0230310.0 [0,2,0,0,0,0|0,0,1]=3 655 B11R1.166 CC1=CC(=CC=C1C(=O)O)O CNP0075319.0 [0,2,0,0,0,0|1,0,0]=3 656 B11R1.166 CC1=CC(=CC=C1C(C)C)O CNP0343687.0 [0,2,0,0,0,0|0,0,2]=4 657 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)Cl CNP0035950.0 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.166 CC1=CC=C(C(=C1)C)C(=O)O CNP0439432.0 [0,2,0,0,0,0|2,0,0]=4 659 B11R1.166 CC1=CC=C(C(=C1)O)C(=O)N CNP0081106.0 [0,2,0,0,0,0|2,0,0]=4 660 B11R1.166 NC(=O)C1=CC=C(C=C1N)Cl CNP0526880.0 [0,2,0,0,0,0|2,0,0]=4 661 B11R1.166 NC(=O)C1=CC=C(C=C1O)O CNP0268339.0 [0,2,0,0,0,0|1,0,0]=3 662 B11R1.166 NC1=CC=C(C(=C1)N)C(=O)O CNP0400011.0 [0,2,0,0,0,0|2,0,0]=4 663 B11R1.166 NC1=CC=C(C(=C1)O)C(=O)O CNP0313106.0 [0,2,0,0,0,0|2,0,0]=4 664 B11R1.166 O=C(Cl)C1=CC=C(C=C1O)O CNP0210532.0 [0,2,0,0,0,0|1,0,0]=3 665 B11R1.166 O=C(O)C1=CC=C(C=C1Cl)Cl CNP0175601.0 [0,2,0,0,0,0|2,0,0]=4 666 B11R1.166 O=C(O)C1=CC=C(C=C1O)O CNP0285956.0 [0,2,0,0,0,0|1,0,0]=3 667 B11R1.166 O=[N+]([O-])C1=CC=C(C=C1O)O CNP0564391.0 [0,2,0,0,0,0|2,0,0]=4 668 B11R1.727 CC(=C1C=CC(C=C1)(C)O)C CNP0111511.0 [0,2,0,0,0,0|0,0,2]=4 669 B11R1.37 C=CC1=CC=C(C=C1OC)O CNP0611852.0 [0,2,0,0,0,0|0,0,0]=2 670 B11R1.37 CCC1=CC=C(C=C1CC)O CNP0155765.0 [0,2,0,0,0,0|0,0,2]=4 671 B11R1.37 COC1=CC(=CC=C1C=O)O CNP0328475.0 [0,2,0,0,0,0|1,0,0]=3 672 B11R1.37 COC1=CC=C(C=C1C=O)O CNP0214934.0 [0,2,0,0,0,0|1,0,1]=4 673 B11R1.37 COC1=CC=C(C=C1OC)O CNP0220201.0 [0,2,0,0,0,0|1,0,1]=4 674 B11R1.277 CC1=CC(=C(C=C1C)C=O)C CNP0085942.0 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.277 CC1=CC(=C(C=C1O)C)N=O CNP0314907.0 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.277 O=CC1=CC(=C(C=C1Br)O)O CNP0158213.0 [0,2,0,0,0,0|1,0,0]=3 677 B11R1.277 O=CC1=CC(=C(C=C1O)O)O CNP0294137.0 [0,2,0,0,0,0|1,0,0]=3 678 B11R1.278 CC1=C(C=CC(=C1O)N=O)O CNP0064746.0 [0,2,0,0,0,0|2,0,0]=4 679 B11R1.278 CC1=C(C=CC(=C1O)O)C=O CNP0202109.0 [0,2,0,0,0,0|1,0,0]=3 680 B11R1.278 CC1=CC=C(C(=C1C)C)C=O CNP0307883.0 [0,2,0,0,0,0|2,0,0]=4 681 B11R1.278 O=CC1=CC=C(C(=C1O)O)O CNP0080275.0 [0,2,0,0,0,0|1,0,0]=3 682 B11R1.464 CC1=CC(=C(C(=C1)C)C=O)C CNP0234902.0 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.464 CC1=CC(=C(C(=C1)Cl)C=O)Cl CNP0026222.0 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.464 CC1=CC(=C(C(=C1)O)C=O)O CNP0218508.0 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.464 CC1=CC(=CC(=C1C=O)O)O CNP0115622.0 [0,2,0,0,0,0|1,0,0]=3 686 B11R1.464 CCC1=C(C=C(C=C1C)O)C CNP0365832.0 [0,2,0,0,0,0|0,0,2]=4 687 B11R1.464 COC1=C(C=C(C=C1Br)O)Br CNP0178459.0 [0,2,0,0,0,0|1,0,1]=4 688 B11R1.464 COC1=C(C=C(C=C1O)O)O CNP0224483.0 [0,2,0,0,0,0|1,0,1]=4 689 B11R1.464 O=CC1=C(C=C(C=C1O)O)O CNP0198826.0 [0,2,0,0,0,0|1,0,0]=3 690 B11R1.14 C=CC1=CC(=C(C(=C1)Br)O)O CNP0580129.0 [0,2,0,0,0,0|0,0,0]=2 691 B11R1.14 CC1=CC(=CC(=C1O)C)C=O CNP0331607.0 [0,2,0,0,0,0|1,0,0]=3 692 B11R1.14 COC1=CC(=C(C(=C1)Br)O)Br CNP0419946.0 [0,2,0,0,0,0|1,0,1]=4 693 B11R1.14 COC1=CC(=C(C(=C1)C)O)C CNP0227213.0 [0,2,0,0,0,0|1,0,1]=4 694 B11R1.14 COC1=CC(=C(C(=C1)Cl)O)Cl CNP0210331.0 [0,2,0,0,0,0|1,0,1]=4 695 B11R1.14 N#CC1=CC(=C(C(=C1)O)O)O CNP0123806.0 [0,2,0,0,0,0|1,0,1]=4 696 B11R1.14 O=CC1=CC(=C(C(=C1)Br)O)Br CNP0188044.0 [0,2,0,0,0,0|1,0,0]=3 697 B11R1.14 O=CC1=CC(=C(C(=C1)Br)O)O CNP0146798.0 [0,2,0,0,0,0|1,0,0]=3 698 B11R1.14 O=CC1=CC(=C(C(=C1)O)O)O CNP0306277.0 [0,2,0,0,0,0|1,0,0]=3 699 B11R1.14 OCC1=CC(=C(C(=C1)Br)O)Br CNP0322070.0 [0,2,0,0,0,0|1,0,1]=4 700 B11R1.14 OCC1=CC(=C(C(=C1)Br)O)O CNP0347203.0 [0,2,0,0,0,0|1,0,1]=4 701 B11R1.14 OCC1=CC(=C(C(=C1)Cl)O)O CNP0147248.0 [0,2,0,0,0,0|1,0,1]=4 702 B11R1.14 OCC1=CC(=C(C(=C1)O)O)O CNP0196506.0 [0,2,0,0,0,0|1,0,1]=4 703 B11R1.280 C=CC1=CC=C(C(=C1)OC)O CNP0357819.0 [0,2,0,0,0,0|0,0,0]=2 704 B11R1.280 CCC1=CC=C(C(=C1)OC)O CNP0401902.0 [0,2,0,0,0,0|0,0,2]=4 705 B11R1.280 COC1=CC(=CC=C1Cl)C=O CNP0146169.0 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.280 COC1=CC(=CC=C1O)C#N CNP0252520.0 [0,2,0,0,0,0|1,0,1]=4 707 B11R1.280 COC1=CC(=CC=C1O)C=O CNP0270199.0 [0,2,0,0,0,0|1,0,0]=3 708 B11R1.280 COC1=CC(=CC=C1O)CN CNP0052909.0 [0,2,0,0,0,0|1,0,1]=4 709 B11R1.280 COC1=CC(=CC=C1O)CO CNP0268270.0 [0,2,0,0,0,0|1,0,1]=4 710 B11R1.280 COC1=CC(=CC=C1O)OO CNP0508207.0 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.280 COC1=CC=C(C(=C1)C=O)O CNP0269274.0 [0,2,0,0,0,0|1,0,1]=4 712 B11R1.280 COC1=CC=C(C(=C1)OC)O CNP0124974.0 [0,2,0,0,0,0|1,0,1]=4 713 B11R1.280 O=CC1=C/C(=N/O)/[C@H](C=C1)O CNP0566241.1 [0,2,0,0,0,0|1,0,1]=4 714 B11R1.280 O=CC1=CC(=NO)C(C=C1)O CNP0535658.0 [0,2,0,0,0,0|1,0,1]=4 715 B11R1.280 O=CC1=CC=C(C(=C1)C=O)O CNP0277701.0 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.280 O=CC1=CC=C(C(=C1)N=O)O CNP0283266.0 [0,2,0,0,0,0|1,0,0]=3 717 B11R1.280 O=CC1=CC=C(C(=C1)N=O)[O-] CNP0482903.0 [0,2,0,0,0,0|1,0,1]=4 718 B11R1.280 O=CC1=CC=C(C(=C1)N=O)[O-] CNP0565531.0 [0,2,0,0,0,0|1,0,1]=4 719 B9R1.3 CC1=C(C=CC=C1Br)O CNP0597127.0 [0,0,1,1,0,0|1,0,1]=4 720 B9R1.3 CC1=C(C=CC=C1O)O CNP0572969.0 [0,0,1,1,0,0|1,0,1]=4 721 B9R1.3 CC1=CC=CC(=C1C)O CNP0282533.0 [0,0,1,1,0,0|0,0,2]=4 722 B9R1.3 CC1=CC=CC(=C1N)O CNP0350085.0 [0,0,1,1,0,0|1,0,1]=4 723 B9R1.3 CC1=CC=CC(=C1O)O CNP0143209.0 [0,0,1,1,0,0|1,0,1]=4 724 B9R1.3 O=C1C=CC=C(C1=O)O CNP0358701.0 [0,0,1,1,0,0|2,0,0]=4 725 B9R1.3 OC1=CC=CC(=C1Br)Br CNP0592928.0 [0,0,1,1,0,0|2,0,0]=4 726 B9R1.3 OC1=CC=CC(=C1Cl)Cl CNP0060336.0 [0,0,1,1,0,0|2,0,0]=4 727 B9R1.3 OC1=CC=CC(=C1O)O CNP0308187.0 [0,0,1,1,0,0|2,0,0]=4 728 B9R1.5 O=C1C=CC=CC=C1O CNP0148494.0 [0,0,1,1,0,0|1,0,0]=3 729 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [0,0,1,1,0,0|1,0,1]=4 730 B9R2.50 C1=CC=C2CCC2=C1 CNP0344536.0 [1,0,0,1,0,0|0,0,2]=4 731 B11R2.36 BrC1=CC=C2CC=CC2=C1 CNP0185507.0 [0,1,0,1,0,0|1,0,0]=3 732 B11R2.36 BrC1=CC=C2NC=CC2=C1 CNP0397727.0 [0,1,0,1,0,0|1,0,0]=3 733 B11R2.36 CC1=CC=C2C=CNC2=C1 CNP0156708.0 [0,1,0,1,0,0|1,0,0]=3 734 B11R2.36 CC1=CC=C2C=CSC2=N1 CNP0293549.0 [0,1,0,1,0,0|2,0,0]=4 735 B11R2.36 CC1=CC=C2N=CNC2=C1 CNP0512184.0 [0,1,0,1,0,0|2,0,0]=4 736 B11R2.36 CC1=CC=C2NC=CC2=C1 CNP0140015.0 [0,1,0,1,0,0|1,0,0]=3 737 B11R2.36 CC1=CC=C2SC=CC2=N1 CNP0115761.0 [0,1,0,1,0,0|2,0,0]=4 738 B11R2.36 OC1=CC2=C(C=CN2)N=N1 CNP0320007.0 [0,1,0,1,0,0|2,0,0]=4 739 B11R2.36 OC1=CC2=C(C=N1)N=CN2 CNP0013570.0 [0,1,0,1,0,0|2,0,0]=4 740 B11R2.36 OC1=CC2=CC=NC2=NN1 CNP0001022.0 [0,1,0,1,0,0|2,0,0]=4 741 B11R2.36 OC1=CC2=CC=NN2C=N1 CNP0001135.0 [0,1,0,1,0,0|2,0,0]=4 742 B11R2.36 OC1=CC2=CC=NN2N=C1 CNP0413037.0 [0,1,0,1,0,0|2,0,0]=4 743 B11R2.36 OC1=CC2=CN=CC2=NN1 CNP0064917.0 [0,1,0,1,0,0|2,0,0]=4 744 B11R2.36 OC1=CC2=CN=CN2C=N1 CNP0001088.0 [0,1,0,1,0,0|2,0,0]=4 745 B11R2.36 OC1=CC2=CN=CN2N=C1 CNP0098193.0 [0,1,0,1,0,0|2,0,0]=4 746 B11R2.36 OC1=CC2=CN=NC2=CN1 CNP0041694.0 [0,1,0,1,0,0|2,0,0]=4 747 B11R2.36 OC1=CC2=CN=NN2C=C1 CNP0001256.0 [0,1,0,1,0,0|2,0,0]=4 748 B11R2.36 OC1=CC2=CNC=C2N=N1 CNP0000936.0 [0,1,0,1,0,0|2,0,0]=4 749 B11R2.36 OC1=CC2=CNN=C2C=N1 CNP0100341.0 [0,1,0,1,0,0|2,0,0]=4 750 B11R2.36 OC1=CC2=NC=CC2=NN1 CNP0145504.0 [0,1,0,1,0,0|2,0,0]=4 751 B11R2.36 OC1=CC2=NC=CN2C=N1 CNP0001164.0 [0,1,0,1,0,0|2,0,0]=4 752 B11R2.36 OC1=CC2=NC=CN2N=C1 CNP0001160.0 [0,1,0,1,0,0|2,0,0]=4 753 B11R2.36 OC1=CC2=NC=NC2=CN1 CNP0007078.0 [0,1,0,1,0,0|2,0,0]=4 754 B11R2.36 OC1=CC2=NC=NN2C=C1 CNP0214951.0 [0,1,0,1,0,0|2,0,0]=4 755 B11R2.36 OC1=CC2=NN=CC2=CN1 CNP0001040.0 [0,1,0,1,0,0|2,0,0]=4 756 B11R2.36 OC1=CC2=NN=CN2C=C1 CNP0001286.0 [0,1,0,1,0,0|2,0,0]=4 757 B11R2.36 OC1=CC2=NNC=C2C=N1 CNP0000997.0 [0,1,0,1,0,0|2,0,0]=4 758 B11R2.36 OC1=CC2=NNC=C2N=C1 CNP0078803.0 [0,1,0,1,0,0|2,0,0]=4 759 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [0,1,0,1,0,0|0,0,0]=2 760 B11R2.36 OC1=CC=C2C=NN=C2N1 CNP0090104.0 [0,1,0,1,0,0|2,0,0]=4 761 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [0,1,0,1,0,0|0,0,0]=2 762 B11R2.36 OC1=CC=C2CCCC2=C1 CNP0188722.0 [0,1,0,1,0,0|0,0,2]=4 763 B11R2.36 OC1=CC=C2N=NC=C2N1 CNP0008431.0 [0,1,0,1,0,0|2,0,0]=4 764 B11R2.36 OC1=CC=C2NC=CC2=C1 CNP0421176.0 [0,1,0,1,0,0|0,0,0]=2 765 B11R2.36 OC1=CC=C2NC=NC2=C1 CNP0083825.0 [0,1,0,1,0,0|1,0,0]=3 766 B11R2.36 OC1=CC=C2NCCC2=C1 CNP0290349.0 [0,1,0,1,0,0|0,0,2]=4 767 B11R2.36 OC1=CC=C2NN=CC2=N1 CNP0001318.0 [0,1,0,1,0,0|2,0,0]=4 768 B11R2.36 OC1=CC=C2NN=NC2=C1 CNP0361868.0 [0,1,0,1,0,0|2,0,0]=4 769 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [0,1,0,1,0,0|0,0,0]=2 770 B11R2.36 OC1=CC=C2OCCC2=C1 CNP0337793.0 [0,1,0,1,0,0|0,0,2]=4 771 B11R2.36 OC1=CC=C2OCOC2=C1 CNP0223104.0 [0,1,0,1,0,0|1,0,1]=4 772 B11R2.36 OC1=CN2C=CN=C2C=N1 CNP0001284.0 [0,1,0,1,0,0|2,0,0]=4 773 B11R2.36 OC1=CN2C=CN=C2N=C1 CNP0102396.0 [0,1,0,1,0,0|2,0,0]=4 774 B11R2.36 OC1=CN2C=NC=C2C=N1 CNP0405852.0 [0,1,0,1,0,0|2,0,0]=4 775 B11R2.36 OC1=CN2C=NC=C2N=C1 CNP0386678.0 [0,1,0,1,0,0|2,0,0]=4 776 B11R2.36 OC1=CN2C=NN=C2C=C1 CNP0001285.0 [0,1,0,1,0,0|2,0,0]=4 777 B11R2.36 OC1=CN2N=CC=C2C=N1 CNP0398507.0 [0,1,0,1,0,0|2,0,0]=4 778 B11R2.36 OC1=CN2N=CC=C2N=C1 CNP0001298.0 [0,1,0,1,0,0|2,0,0]=4 779 B11R2.36 OC1=CN2N=CN=C2C=C1 CNP0316501.0 [0,1,0,1,0,0|2,0,0]=4 780 B11R2.36 OC1=CN2N=NC=C2C=C1 CNP0236258.0 [0,1,0,1,0,0|2,0,0]=4 781 B11R2.36 OC1=CN=C2C=CN=C2N1 CNP0001009.0 [0,1,0,1,0,0|2,0,0]=4 782 B11R2.36 OC1=CN=C2C=NC=C2N1 CNP0000852.0 [0,1,0,1,0,0|2,0,0]=4 783 B11R2.36 OC1=CN=C2N=CC=C2N1 CNP0001012.0 [0,1,0,1,0,0|2,0,0]=4 784 B11R2.36 OC1=CN=C2NC=NC2=C1 CNP0001319.0 [0,1,0,1,0,0|2,0,0]=4 785 B11R2.36 OC1=CNC2=CC=NC2=N1 CNP0027737.0 [0,1,0,1,0,0|2,0,0]=4 786 B11R2.36 OC1=CNC2=CN=CC2=N1 CNP0000860.0 [0,1,0,1,0,0|2,0,0]=4 787 B11R2.36 OC1=CNC2=CN=NC2=C1 CNP0001030.0 [0,1,0,1,0,0|2,0,0]=4 788 B11R2.36 OC1=CNC2=NC=CC2=N1 CNP0001018.0 [0,1,0,1,0,0|2,0,0]=4 789 B11R2.36 OC1=CNC2=NN=CC2=C1 CNP0407174.0 [0,1,0,1,0,0|2,0,0]=4 790 B11R2.36 OC1=NC2=CC=NN2C=C1 CNP0313628.0 [0,1,0,1,0,0|2,0,0]=4 791 B11R2.36 OC1=NC2=CN=CN2C=C1 CNP0001129.0 [0,1,0,1,0,0|2,0,0]=4 792 B11R2.36 OC1=NC2=CNC=C2C=N1 CNP0065162.0 [0,1,0,1,0,0|2,0,0]=4 793 B11R2.36 OC1=NC2=CNC=C2N=C1 CNP0277955.0 [0,1,0,1,0,0|2,0,0]=4 794 B11R2.36 OC1=NC2=NC=CC2=CN1 CNP0023746.0 [0,1,0,1,0,0|2,0,0]=4 795 B11R2.36 OC1=NC=C2C=NC=C2N1 CNP0001023.0 [0,1,0,1,0,0|2,0,0]=4 796 B11R2.36 OC1=NC=C2N=CC=C2N1 CNP0001128.0 [0,1,0,1,0,0|2,0,0]=4 797 B11R2.36 OC1=NC=C2NC=CC2=N1 CNP0162874.0 [0,1,0,1,0,0|2,0,0]=4 798 B11R2.36 OC1=NN2C=CN=C2C=C1 CNP0001332.0 [0,1,0,1,0,0|2,0,0]=4 799 B11R2.36 OC1=NN2C=NC=C2C=C1 CNP0001136.0 [0,1,0,1,0,0|2,0,0]=4 800 B11R2.36 OC1=NN2N=CC=C2C=C1 CNP0168549.0 [0,1,0,1,0,0|2,0,0]=4 801 B11R2.36 OC1=NNC2=CC=NC2=C1 CNP0232860.0 [0,1,0,1,0,0|2,0,0]=4 802 B11R2.36 OC1=NNC2=CN=CC2=C1 CNP0297787.0 [0,1,0,1,0,0|2,0,0]=4 803 B11R2.36 OC1=NNC2=NC=CC2=C1 CNP0050880.0 [0,1,0,1,0,0|2,0,0]=4 804 B11R2.36 ON1C=C2C=CN=C2C=N1 CNP0285039.0 [0,1,0,1,0,0|2,0,0]=4 805 B11R2.36 ON1C=C2C=NC=C2C=N1 CNP0008681.0 [0,1,0,1,0,0|2,0,0]=4 806 B11R2.36 ON1C=C2N=CC=C2C=N1 CNP0000969.0 [0,1,0,1,0,0|2,0,0]=4 807 B11R2.36 ON1C=CC2=CC=NC2=N1 CNP0352067.0 [0,1,0,1,0,0|2,0,0]=4 808 B11R2.36 ON1C=CC2=CN=CC2=N1 CNP0000952.0 [0,1,0,1,0,0|2,0,0]=4 809 B11R2.36 ON1C=CC2=CN=NC2=C1 CNP0000951.0 [0,1,0,1,0,0|2,0,0]=4 810 B11R2.36 ON1C=CC2=NC=CC2=N1 CNP0000965.0 [0,1,0,1,0,0|2,0,0]=4 811 B11R2.36 ON1C=CC2=NC=NC2=C1 CNP0001276.0 [0,1,0,1,0,0|2,0,0]=4 812 B11R2.36 ON1C=CC2=NN=CC2=C1 CNP0290039.0 [0,1,0,1,0,0|2,0,0]=4 813 B11R2.36 ON1C=NC2=CC=NC2=C1 CNP0031628.0 [0,1,0,1,0,0|2,0,0]=4 814 B11R2.36 ON1C=NC2=CN=CC2=C1 CNP0000925.0 [0,1,0,1,0,0|2,0,0]=4 815 B11R2.36 ON1C=NC2=NC=CC2=C1 CNP0000814.0 [0,1,0,1,0,0|2,0,0]=4 816 B11R2.117 CC1=CC=C2CC(=O)C2=C1 CNP0035023.0 [0,1,0,1,0,0|1,0,1]=4 817 B11R2.190 COC1=CC=C2CCC2=C1 CNP0063591.0 [0,1,0,1,0,0|0,0,2]=4 818 B11R2.363 CC1=CC=C2C(=O)CC2=C1 CNP0317782.0 [0,1,0,1,0,0|1,0,1]=4 819 B7R1.1 C=CC1=CC=CO1 CNP0554274.0 [1,0,0,0,1,0|1,0,0]=3 820 B7R1.1 C=CC1=CC=CS1 CNP0141578.0 [1,0,0,0,1,0|1,0,0]=3 821 B7R1.1 C=CC1=CN=CN1 CNP0518270.0 [1,0,0,0,1,0|2,0,0]=4 822 B7R1.1 O=CC1=CC=CN1 CNP0105766.0 [1,0,0,0,1,0|2,0,0]=4 823 B7R1.1 O=CC1=CC=CO1 CNP0178160.0 [1,0,0,0,1,0|2,0,0]=4 824 B7R1.1 O=CC1=CC=CS1 CNP0079082.0 [1,0,0,0,1,0|2,0,0]=4 825 B7R1.1 O=CC1=COC=C1 CNP0234092.0 [1,0,0,0,1,0|2,0,0]=4 826 B7R1.1 O=CC1=CSC=C1 CNP0351223.0 [1,0,0,0,1,0|2,0,0]=4 827 B7R1.1 O=CN1C=CC=C1 CNP0265883.0 [1,0,0,0,1,0|2,0,0]=4 828 B7R1.2 C=C1C=CC(=O)O1 CNP0331663.0 [1,0,0,0,1,0|1,0,1]=4