0 B12R1.71 CCC=CC1=CC=C(C=C1)OC CNP0297970.0 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.71 CNCCC1=CC=C(C=C1)OC CNP0219456.0 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.71 COC1=CC=C(C=C1)C=CC#N CNP0327482.0 [0,0,0,0,0,0|1,0,1]=2 3 B12R1.71 COC1=CC=C(C=C1)C=CC=O CNP0225036.0 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.71 COC1=CC=C(C=C1)C=CCO CNP0413642.0 [0,0,0,0,0,0|0,0,2]=2 5 B12R1.71 COC1=CC=C(C=C1)CCC#N CNP0264355.0 [0,0,0,0,0,0|1,0,3]=4 6 B12R1.71 COC1=CC=C(C=C1)CN=C=S CNP0188935.0 [0,0,0,0,0,0|1,1,2]=4 7 B12R1.71 COC1=CC=C(C=C1)COC=O CNP0338310.0 [0,0,0,0,0,0|1,0,1]=2 8 B12R1.71 COC1=CC=C(C=C1)C[N+]=C=S CNP0479456.0 [0,0,0,0,0,0|1,1,2]=4 9 B12R1.71 COC=CC1=CC=C(C=C1)OC CNP0081538.0 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [1,0,0,0,0,0|1,0,2]=4 11 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [1,0,0,0,0,0|0,0,0]=1 12 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [1,0,0,0,0,0|1,0,1]=3 13 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [1,0,0,0,0,0|0,0,0]=1 14 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [1,0,0,0,0,0|0,0,2]=3 15 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [1,0,0,0,0,0|0,0,2]=3 16 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.83 C=CCC1=CC=C(C=C1)OC CNP0191217.0 [1,0,0,0,0,0|0,0,1]=2 18 B11R1.83 CC=CC1=CC=C(C=C1)OC CNP0402035.0 [1,0,0,0,0,0|0,0,1]=2 19 B11R1.83 CC=CC1=CCC(C=C1)OC CNP0609217.0 [1,0,0,0,0,0|0,0,3]=4 20 B11R1.83 CCCC1=CC=C(C=C1)OC CNP0255936.0 [1,0,0,0,0,0|0,0,3]=4 21 B11R1.83 CNCC1=CC=C(C=C1)OC CNP0239380.0 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.83 COC1=CC=C(C=C1)C=NN CNP0396597.0 [1,0,0,0,0,0|2,0,0]=3 23 B11R1.83 COC1=CC=C(C=C1)C=NO CNP0150314.0 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.83 COC1=CC=C(C=C1)CC=O CNP0207724.0 [1,0,0,0,0,0|0,0,1]=2 25 B11R1.83 COC1=CC=C(C=C1)CCN CNP0137581.0 [1,0,0,0,0,0|1,0,2]=4 26 B11R1.83 COC1=CC=C(C=C1)CCO CNP0178762.0 [1,0,0,0,0,0|0,0,3]=4 27 B11R1.83 COCC1=CC=C(C=C1)OC CNP0142961.0 [1,0,0,0,0,0|1,0,2]=4 28 B11R1.83 NOC1=CC=C(C=C1)CC=O CNP0170203.0 [1,0,0,0,0,0|1,0,1]=3 29 B13R1.3 CC(=O)CCC1=CC=C(C=C1)ON CNP0361857.0 [0,1,0,0,0,0|1,0,2]=4 30 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O CNP0457495.0 [0,1,0,0,0,0|1,0,2]=4 31 B13R1.3 CCC1=CC=C(C=C1)COC(=O)C CNP0564625.0 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O CNP0598557.0 [0,1,0,0,0,0|0,0,2]=3 33 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)C CNP0085604.0 [0,1,0,0,0,0|0,0,0]=1 34 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)N CNP0497592.0 [0,1,0,0,0,0|0,0,0]=1 35 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)O CNP0250415.0 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.3 COC1=CC=C(C=C1)C=C[N+](=O)[O-] CNP0600697.0 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.3 COC1=CC=C(C=C1)CCC(=O)C CNP0123166.0 [0,1,0,0,0,0|0,0,2]=3 38 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N CNP0592087.0 [0,1,0,0,0,0|0,0,2]=3 39 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O CNP0156617.0 [0,1,0,0,0,0|0,0,2]=3 40 B13R1.3 COC1=CC=C(C=C1)CC[N+](=O)[O-] CNP0491242.0 [0,1,0,0,0,0|1,0,2]=4 41 B13R1.3 COC1=CC=C(C=C1)CNC(=O)C CNP0514444.0 [0,1,0,0,0,0|1,0,1]=3 42 B13R1.3 COC1=CC=C(C=C1)COC(=O)C CNP0232581.0 [0,1,0,0,0,0|1,0,1]=3 43 B13R1.3 COC1=CC=C(C=C1)N=NC(=O)N CNP0184303.0 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.3 COC1=CC=C(C=C1)NNC(=S)N CNP0047522.0 [0,1,0,0,0,0|2,1,0]=4 45 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O CNP0080091.0 [0,1,0,0,0,0|1,0,1]=3 46 B13R1.3 CSC1=CC=C(C=C1)C=CC(=O)O CNP0602100.0 [0,1,0,0,0,0|0,1,0]=2 47 B13R1.5 COC(=O)CC1=CC=C(C=C1)OC CNP0285139.0 [0,1,0,0,0,0|2,0,1]=4 48 B13R1.5 COC1=CC=C(C=C1)C=C(C)C=O CNP0094206.0 [0,1,0,0,0,0|0,0,0]=1 49 B13R1.5 COC1=CC=C(C=C1)NC(=S)SC CNP0050911.0 [0,1,0,0,0,0|3,0,0]=4 50 B13R1.74 CC(C)C1=CC=C(C=C1)CCC=O CNP0002936.0 [0,1,0,0,0,0|1,0,2]=4 51 B13R1.74 CN(C)C1=CC=C(C=C1)C=CC=O CNP0520789.0 [0,1,0,0,0,0|1,0,0]=2 52 B13R1.75 COC1=CC=C(C(=C1)O)C=CC=O CNP0080622.0 [0,1,0,0,0,0|0,0,0]=1 53 B13R1.77 CCOC1=CC=C(C=C1)C=CCO CNP0418887.0 [0,1,0,0,0,0|0,0,2]=3 54 B13R1.371 C=C=CCOC1=CC=C(C=C1)OC CNP0261200.0 [0,1,0,0,0,0|1,0,2]=4 55 B13R1.371 COC1=CC=C(C=C1)C=CN=C=S CNP0267624.0 [0,1,0,0,0,0|0,1,1]=3 56 B13R1.371 COC1=CC=C(C=C1)C=CNC=O CNP0266035.0 [0,1,0,0,0,0|0,0,0]=1 57 B13R1.371 COCC=CC1=CC=C(C=C1)OC CNP0276419.0 [0,1,0,0,0,0|0,0,2]=3 58 B13R1.452 CCOC(=O)C1=CC=C(C=C1)OC CNP0334589.0 [0,1,0,0,0,0|2,0,1]=4 59 B13R1.452 COC1=CC=C(C=C1)C(=O)CC#N CNP0144468.0 [0,1,0,0,0,0|1,0,2]=4 60 B13R1.577 COC1=CC=C(C=C1C)C=CC=O CNP0119255.0 [0,1,0,0,0,0|0,0,0]=1 61 B13R1.577 COC1=CC=C(C=C1O)C=CC=O CNP0158241.0 [0,1,0,0,0,0|0,0,0]=1 62 B13R1.577 COC1=CC=C(C=C1O)C=CCO CNP0270945.0 [0,1,0,0,0,0|0,0,2]=3 63 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 CNP0076873.0 [0,0,0,1,0,0|2,0,1]=4 64 B13R2.57 CCC1=CC=C2C=CC=CC2=C1 CNP0389841.0 [0,0,0,1,0,0|2,0,0]=3 65 B13R2.57 COC1=CC=C2C=CC=CC2=C1 CNP0110785.0 [0,0,0,1,0,0|1,0,0]=2 66 B13R2.57 COC1=CC=C2C=CCOC2=C1 CNP0590753.0 [0,0,0,1,0,0|0,0,2]=3 67 B13R2.57 COC1=CC=C2CCC=CC2=C1 CNP0578027.0 [0,0,0,1,0,0|1,0,2]=4 68 B13R2.57 COC1=CC=C2OCC=CC2=C1 CNP0140075.0 [0,0,0,1,0,0|2,0,1]=4 69 B13R2.57 N#CC1=CC=C2C=CC=CC2=C1 CNP0294953.0 [0,0,0,1,0,0|3,0,0]=4 70 B13R2.57 NNC1=CC=C2C=CC=CC2=C1 CNP0200433.0 [0,0,0,1,0,0|3,0,0]=4 71 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CNP0393707.0 [0,0,0,1,0,0|3,0,0]=4 72 B13R2.57 OCC1=CC=C2C=CC=CC2=C1 CNP0129350.0 [0,0,0,1,0,0|3,0,0]=4 73 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [1,0,1,0,0,0|2,0,0]=4 74 B10R1.1 C=CCC1=CC=C(C=C1)C CNP0192313.0 [2,0,0,0,0,0|0,0,1]=3 75 B10R1.1 C=CCC1=CC=C(C=C1)O CNP0155812.0 [2,0,0,0,0,0|0,0,1]=3 76 B10R1.1 CC1=CC=C(C=C1)C=NO CNP0256781.0 [2,0,0,0,0,0|1,0,1]=4 77 B10R1.1 CC1=CC=C(C=C1)CC=O CNP0003643.0 [2,0,0,0,0,0|0,0,1]=3 78 B10R1.1 CC=CC1=CC=C(C=C1)C CNP0487359.0 [2,0,0,0,0,0|0,0,1]=3 79 B10R1.1 CC=CC1=CC=C(C=C1)O CNP0186527.0 [2,0,0,0,0,0|0,0,1]=3 80 B10R1.1 NC=CC1=CC=C(C=C1)O CNP0527921.0 [2,0,0,0,0,0|1,0,0]=3 81 B10R1.1 O=CCC1=CC=C(C=C1)O CNP0103441.0 [2,0,0,0,0,0|0,0,1]=3 82 B10R1.1 ON=CC1=CC=C(C=C1)O CNP0057124.0 [2,0,0,0,0,0|1,0,1]=4 83 B10R1.1 [2H]/C=C\C1=CC=C(C=C1)O CNP0496441.0 [2,0,0,0,0,0|1,0,0]=3 84 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [2,0,0,0,0,0|1,0,1]=4 85 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [2,0,0,0,0,0|1,0,1]=4 86 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [2,0,0,0,0,0|1,0,1]=4 87 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [2,0,0,0,0,0|1,0,1]=4 88 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [2,0,0,0,0,0|0,0,0]=2 89 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [2,0,0,0,0,0|0,0,2]=4 90 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [2,0,0,0,0,0|1,0,1]=4 91 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [2,0,0,0,0,0|2,0,0]=4 92 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [2,0,0,0,0,0|1,0,1]=4 93 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [2,0,0,0,0,0|0,0,2]=4 94 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [2,0,0,0,0,0|1,1,0]=4 95 B10R1.3 C=CC1=CC=C(C=C1)C=C CNP0540510.0 [2,0,0,0,0,0|1,0,1]=4 96 B10R1.3 C=CC1=CC=C(C=C1)C=O CNP0512344.0 [2,0,0,0,0,0|1,0,1]=4 97 B10R1.3 C=CC1=CC=C(C=C1)CC CNP0084147.0 [2,0,0,0,0,0|1,0,0]=3 98 B10R1.3 C=CC1=CC=C(C=C1)CO CNP0018712.0 [2,0,0,0,0,0|2,0,0]=4 99 B10R1.3 C=CC1=CC=C(C=C1)OC CNP0327301.0 [2,0,0,0,0,0|0,0,0]=2 100 B10R1.3 CCC1=CC=C(C=C1)C=O CNP0279142.0 [2,0,0,0,0,0|1,0,0]=3 101 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [2,0,0,0,0,0|0,0,2]=4 102 B10R1.3 CNC1=CC=C(C=C1)C=O CNP0246789.0 [2,0,0,0,0,0|1,0,0]=3 103 B10R1.3 COC1=CC=C(C=C1)C#N CNP0311472.0 [2,0,0,0,0,0|1,0,1]=4 104 B10R1.3 COC1=CC=C(C=C1)C=O CNP0234469.0 [2,0,0,0,0,0|0,0,0]=2 105 B10R1.3 COC1=CC=C(C=C1)C=S CNP0185667.0 [2,0,0,0,0,0|0,1,0]=3 106 B10R1.3 COC1=CC=C(C=C1)CN CNP0143724.0 [2,0,0,0,0,0|1,0,1]=4 107 B10R1.3 COC1=CC=C(C=C1)CO CNP0301946.0 [2,0,0,0,0,0|0,0,2]=4 108 B10R1.3 COC1=CC=C(C=C1)OC CNP0161668.0 [2,0,0,0,0,0|1,0,1]=4 109 B10R1.3 O=CC1=CC=C(C=C1)C=O CNP0454004.0 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.3 O=CC1=CC=C(C=C1)CBr CNP0064464.0 [2,0,0,0,0,0|2,0,0]=4 111 B12R1.1 CC=CCOC1=CC=C(C=C1)O CNP0425430.0 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.1 COCC=CC1=CC=C(C=C1)O CNP0284684.0 [1,1,0,0,0,0|0,0,2]=4 113 B12R1.1 O=CNC=CC1=CC=C(C=C1)O CNP0570685.0 [1,1,0,0,0,0|0,0,0]=2 114 B12R1.1 O=CNCCC1=CC=C(C=C1)O CNP0057661.0 [1,1,0,0,0,0|0,0,2]=4 115 B12R1.16 O=C(C=NO)C1=CC=C(C=C1)O CNP0168416.0 [1,1,0,0,0,0|1,0,1]=4 116 B12R1.16 O=CNC(=O)C1=CC=C(C=C1)O CNP0113478.0 [1,1,0,0,0,0|1,0,0]=3 117 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [1,1,0,0,0,0|0,0,0]=2 118 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [1,1,0,0,0,0|0,0,2]=4 119 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [1,1,0,0,0,0|0,0,2]=4 120 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [1,1,0,0,0,0|1,0,1]=4 122 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [1,1,0,0,0,0|0,0,0]=2 123 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [1,1,0,0,0,0|0,0,2]=4 124 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [1,1,0,0,0,0|0,0,0]=2 126 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [1,1,0,0,0,0|0,0,2]=4 127 B12R1.21 NC(=O)N=NC1=CC=C(C=C1)O CNP0318057.0 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [1,1,0,0,0,0|1,0,0]=3 130 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [1,1,0,0,0,0|0,0,0]=2 132 B12R1.21 O=C(O)C=CC1C=CC(=CC1)O CNP0583876.0 [1,1,0,0,0,0|0,0,2]=4 133 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [1,1,0,0,0,0|0,0,2]=4 134 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [1,1,0,0,0,0|1,0,1]=4 135 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [1,1,0,0,0,0|1,0,1]=4 136 B12R1.21 O=[N+]([O-])C=CC1=CC=C(C=C1)O CNP0507113.0 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.49 CC1=CC=C(C=C1)CC(C)C=O CNP0288270.0 [1,1,0,0,0,0|0,0,2]=4 138 B12R1.49 N[C@H](C=O)CC1=CC=C(C=C1)O CNP0232449.1 [1,1,0,0,0,0|0,0,2]=4 139 B12R1.49 O=NC(=O)NC1=CC=C(C=C1)O CNP0501405.0 [1,1,0,0,0,0|2,0,0]=4 140 B12R1.385 COC=CC1=CC=C(C(=C1)O)O CNP0132109.0 [1,1,0,0,0,0|2,0,0]=4 141 B12R1.385 O=CC=CC1=CC=C(C(=C1)O)O CNP0169964.0 [1,1,0,0,0,0|0,0,0]=2 142 B12R1.385 OCC=CC1=CC=C(C(=C1)O)O CNP0214486.0 [1,1,0,0,0,0|0,0,2]=4 143 B12R1.4 CCC1=CC=C(C=C1)OC(=O)C CNP0244471.0 [1,1,0,0,0,0|2,0,0]=4 144 B12R1.4 COC1=CC=C(C=C1)C=C(C)C CNP0103064.0 [1,1,0,0,0,0|0,0,1]=3 145 B12R1.4 COC1=CC=C(C=C1)CC(=O)C CNP0229458.0 [1,1,0,0,0,0|0,0,1]=3 146 B12R1.4 COC1=CC=C(C=C1)CC(=O)N CNP0553405.0 [1,1,0,0,0,0|0,0,1]=3 147 B12R1.4 COC1=CC=C(C=C1)CC(=O)O CNP0125359.0 [1,1,0,0,0,0|0,0,1]=3 148 B12R1.4 COC1=CC=C(C=C1)NC(=O)C CNP0211997.0 [1,1,0,0,0,0|1,0,0]=3 149 B12R1.4 COC1=CC=C(C=C1)NC(=S)N CNP0409458.0 [1,1,0,0,0,0|1,1,0]=4 150 B12R1.4 COC1=CC=C(C=N1)NC(=O)C CNP0029688.0 [1,1,0,0,0,0|2,0,0]=4 151 B12R1.5 C=C[C@@H](O)C1=CC=C(C=C1)OC CNP0219145.2 [1,1,0,0,0,0|0,0,1]=3 152 B12R1.5 C=C[C@H](O)C1=CC=C(C=C1)OC CNP0219145.1 [1,1,0,0,0,0|0,0,1]=3 153 B12R1.5 CCC(=O)C1=CC=C(C=C1)OC CNP0079982.0 [1,1,0,0,0,0|0,0,2]=4 154 B12R1.5 COC(=O)C1=CC=C(C=C1)OC CNP0223742.0 [1,1,0,0,0,0|1,0,1]=4 155 B12R1.5 COC1=CC=C(C=C1)C(=NO)C CNP0105997.0 [1,1,0,0,0,0|1,0,1]=4 156 B12R1.5 COC1=CC=C(C=C1)C(=O)C=O CNP0302922.0 [1,1,0,0,0,0|0,0,0]=2 157 B12R1.5 COC1=CC=C(C=C1)C(=O)CO CNP0302541.0 [1,1,0,0,0,0|0,0,2]=4 158 B12R1.5 COC1=CC=C(C=C1)C(=O)NN CNP0135265.0 [1,1,0,0,0,0|2,0,0]=4 159 B12R1.5 COC1=CC=C(C=C1)C(=O)NO CNP0348259.0 [1,1,0,0,0,0|1,0,1]=4 160 B12R1.113 CC(C)C1=CC=C(C=C1)CC=O CNP0002405.0 [1,1,0,0,0,0|1,0,1]=4 161 B12R1.114 C=CCC1=CC=C(C=C1O)OC CNP0106128.0 [1,1,0,0,0,0|0,0,1]=3 162 B12R1.114 CC=CC1=CC=C(C=C1O)OC CNP0526472.0 [1,1,0,0,0,0|0,0,1]=3 163 B12R1.288 C=CCC1=CC=C(C(=C1)O)OC CNP0181536.0 [1,1,0,0,0,0|0,0,1]=3 164 B12R1.288 CC=CC1=CC=C(C(=C1)O)OC CNP0299210.0 [1,1,0,0,0,0|0,0,1]=3 165 B14R1.2 COC1=CC=C(C=C1)C(=CC(=O)C)C CNP0140151.0 [0,2,0,0,0,0|0,0,0]=2 166 B14R1.2 COC1=CC=C(C=C1)C(=O)CC(=O)C CNP0186353.0 [0,2,0,0,0,0|0,0,1]=3 167 B14R1.2 COC1=CC=C(C=C1)C(=O)CC(=O)O CNP0335874.0 [0,2,0,0,0,0|0,0,1]=3 168 B14R1.2 COC1=CC=C(C=C1)[C@@H](N)CC(=O)O CNP0244772.1 [0,2,0,0,0,0|0,0,2]=4 169 B14R1.2 COC1=CC=C(C=C1)[C@H](C)OC(=O)C CNP0153603.1 [0,2,0,0,0,0|1,0,1]=4 170 B14R1.2 COC1=CC=C(C=C1)[C@H](N)CC(=O)O CNP0244772.2 [0,2,0,0,0,0|0,0,2]=4 171 B14R1.2 COC1=CC=C(C=C1)[N+](=NC(=O)N)[O-] CNP0563370.0 [0,2,0,0,0,0|2,0,0]=4 172 B14R1.3 COC1=CC=C(C=C1)C=C(C)C(=O)O CNP0224859.0 [0,2,0,0,0,0|0,0,0]=2 173 B14R1.3 COC1=CC=C(C=C1)C=C(S)C(=O)O CNP0586939.0 [0,2,0,0,0,0|0,0,0]=2 174 B14R1.3 COC1=CC=C(C=C1)CC(=O)C(=O)O CNP0018016.0 [0,2,0,0,0,0|0,0,1]=3 175 B14R1.3 COC1=CC=C(C=C1)CC(=S)C(=O)O CNP0443715.0 [0,2,0,0,0,0|0,0,1]=3 176 B14R1.3 COC1=CC=C(C=C1)C[C@@H](N)C(=O)O CNP0402588.2 [0,2,0,0,0,0|0,0,2]=4 177 B14R1.3 COC1=CC=C(C=C1)C[C@@H](O)C(=O)N CNP0201099.1 [0,2,0,0,0,0|0,0,2]=4 178 B14R1.3 COC1=CC=C(C=C1)C[C@@H](O)C(=O)O CNP0320715.1 [0,2,0,0,0,0|0,0,2]=4 179 B14R1.3 COC1=CC=C(C=C1)C[C@H](N)C(=O)O CNP0402588.1 [0,2,0,0,0,0|0,0,2]=4 180 B14R1.3 COC1=CC=C(C=C1)NC(=O)C(=O)C CNP0062043.0 [0,2,0,0,0,0|1,0,0]=3 181 B14R1.3 COC1=CC=C(C=C1)NC(=S)C(=O)C CNP0241632.0 [0,2,0,0,0,0|1,0,0]=3 182 B14R1.3 COC1=CC=C(C=C1)OC(C)C(=O)O CNP0050337.0 [0,2,0,0,0,0|1,0,1]=4 183 B14R1.5 CCC(=O)C=CC1=CC=C(C=C1)OC CNP0191076.0 [0,2,0,0,0,0|0,0,0]=2 184 B14R1.5 CCC(=O)OCC1=CC=C(C=C1)OC CNP0085659.0 [0,2,0,0,0,0|1,0,1]=4 185 B14R1.5 COC(=O)C=CC1=CC=C(C=C1)OC CNP0135555.0 [0,2,0,0,0,0|0,0,0]=2 186 B14R1.5 COC(=O)C=CC1=CC=C(C=C1)SC CNP0506631.0 [0,2,0,0,0,0|0,1,0]=3 187 B14R1.5 COC(=O)CCC1=CC=C(C=C1)OC CNP0273183.0 [0,2,0,0,0,0|0,0,2]=4 188 B14R1.5 COC(=O)COC1=CC=C(C=C1)OC CNP0482350.0 [0,2,0,0,0,0|1,0,1]=4 189 B14R1.5 COC1=CC=C(C=C1)C=CC(=O)NN CNP0513524.0 [0,2,0,0,0,0|0,0,0]=2 190 B14R1.103 COC1=CC=C(C(=C1)C)C=CC(=O)O CNP0609868.0 [0,2,0,0,0,0|0,0,0]=2 191 B14R1.103 COC1=CC=C(C(=C1)O)C=CC(=O)O CNP0228359.0 [0,2,0,0,0,0|0,0,0]=2 192 B14R1.103 COC1=CC=C(C(=C1)O)CCC(=O)O CNP0271285.0 [0,2,0,0,0,0|0,0,2]=4 193 B14R1.142 CCOC1=CC=C(C=C1)C=CC(=O)O CNP0115476.0 [0,2,0,0,0,0|0,0,0]=2 194 B14R1.419 CC(=O)C1=CC=C(C=C1)C=CC(=O)O CNP0470131.0 [0,2,0,0,0,0|1,0,0]=3 195 B14R1.419 CC(=O)C=CC1=CC=C(C=C1)N(C)C CNP0591718.0 [0,2,0,0,0,0|1,0,0]=3 196 B14R1.419 CC(C)C1=CC=C(C=C1)C=CC(=O)O CNP0009816.0 [0,2,0,0,0,0|1,0,0]=3 197 B14R1.419 CN(C)C1=CC=C(C=C1)C=CC(=O)O CNP0441585.0 [0,2,0,0,0,0|1,0,0]=3 198 B14R1.419 CN(C)C1=CC=C(C=C1)C=C[N+](=O)[O-] CNP0531972.0 [0,2,0,0,0,0|2,0,0]=4 199 B14R1.419 O=C(O)C=CC1=CC=C(C=C1)B(O)O CNP0569364.0 [0,2,0,0,0,0|2,0,0]=4 200 B14R1.419 O=C(O)C=CC1=CC=C(C=C1)C(=O)O CNP0522196.0 [0,2,0,0,0,0|2,0,0]=4 201 B14R1.419 O=C(O)C=CC1=CC=C(C=C1)[N+](=O)[O-] CNP0499293.0 [0,2,0,0,0,0|2,0,0]=4 202 B14R1.3653 COC1=CC=C(C=C1O)C=CC(=O)N CNP0436701.0 [0,2,0,0,0,0|0,0,0]=2 203 B14R1.3653 COC1=CC=C(C=C1O)C=CC(=O)O CNP0283368.0 [0,2,0,0,0,0|0,0,0]=2 204 B14R1.3653 COC1=CC=C(C=C1O)C=C[N+](=O)[O-] CNP0538537.0 [0,2,0,0,0,0|1,0,0]=3 205 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)C CNP0128440.0 [0,2,0,0,0,0|0,0,2]=4 206 B14R1.3653 COC1=CC=C(C=C1O)CCC(=O)O CNP0304446.0 [0,2,0,0,0,0|0,0,2]=4 207 B14R1.6 COC1=CC=C(C=C1)C=C(C#N)C#N CNP0529445.0 [0,2,0,0,0,0|1,0,1]=4 208 B14R1.7 CNC(=O)C(=O)C1=CC=C(C=C1)OC CNP0338731.0 [0,2,0,0,0,0|2,0,0]=4 209 B14R1.7 CNC(=S)C(=O)C1=CC=C(C=C1)OC CNP0115627.0 [0,2,0,0,0,0|2,0,0]=4 210 B14R1.7 COC(=O)C(=O)C1=CC=C(C=C1)OC CNP0321266.0 [0,2,0,0,0,0|2,0,0]=4 211 B14R1.7 COC1=CC=C(C=C1)C(=C(Cl)C#N)C CNP0525965.0 [0,2,0,0,0,0|1,0,1]=4 212 B14R1.68 CC(=O)OC1=CC=C(C=C1)C=CCO CNP0516559.0 [0,2,0,0,0,0|0,0,2]=4 213 B14R1.4 COC1=CC=C(C=C1)C=NNC(=N)N CNP0452706.0 [0,2,0,0,0,0|2,0,0]=4 214 B14R1.4 COC1=CC=C(C=C1)C=NNC(=O)N CNP0110166.0 [0,2,0,0,0,0|1,0,0]=3 215 B14R1.4 COC1=CC=C(C=C1)C=NNC(=S)N CNP0358677.0 [0,2,0,0,0,0|1,1,0]=4 216 B14R1.4 COC1=CC=C(C=C1)CCCC(=O)O CNP0292767.0 [0,2,0,0,0,0|0,0,2]=4 217 B14R1.4 COC1=CC=C(C=C1)CCNC(=O)C CNP0041220.0 [0,2,0,0,0,0|0,0,2]=4 218 B14R1.4 COC1=CC=C(C=C1)CCOC(=O)C CNP0162222.0 [0,2,0,0,0,0|0,0,2]=4 219 B14R1.4 COC1=CC=C(C=C1)CNCC(=O)O CNP0397830.0 [0,2,0,0,0,0|0,0,2]=4 220 B14R1.4 COC1=CC=C(C=C1)OC=CC(=O)O CNP0125475.0 [0,2,0,0,0,0|0,0,0]=2 221 B14R1.776 COC1=CC=C(C=C1)CCCCC=O CNP0405826.0 [0,2,0,0,0,0|0,0,2]=4 222 B14R1.793 C=CC=CC1=CC=C(C(=C1)OC)OC CNP0228103.0 [0,2,0,0,0,0|1,0,0]=3 223 B14R1.793 CCC=CC1=CC=C(C(=C1)OC)OC CNP0242434.0 [0,2,0,0,0,0|1,0,1]=4 224 B14R1.793 COC1=C(CC(C=C1)C=CC=O)OC CNP0170226.0 [0,2,0,0,0,0|0,0,2]=4 225 B14R1.793 COC1=C(C[C@H](C=C1)/C=C/C=O)OC CNP0170226.2 [0,2,0,0,0,0|0,0,2]=4 226 B14R1.793 COC1=C(C[C@H](C=C1)C=CC=O)OC CNP0170226.1 [0,2,0,0,0,0|0,0,2]=4 227 B14R1.793 COC1=CC=C(C=C1OC)C=CC=O CNP0207087.0 [0,2,0,0,0,0|0,0,0]=2 228 B14R1.793 COC1=CC=C(C=C1OC)C=CCO CNP0294314.0 [0,2,0,0,0,0|0,0,2]=4 229 B14R1.793 COC1=CC=C(C=C1OC)CCC=O CNP0567000.0 [0,2,0,0,0,0|0,0,2]=4 230 B14R1.793 COC=CC1=CC=C(C(=C1)OC)OC CNP0222543.0 [0,2,0,0,0,0|2,0,0]=4 231 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,0,1,1,0,0|2,0,0]=4 232 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,0,1,1,0,0|2,0,0]=4 233 B12R1.118 COC(=CC1=CC=CC=C1)C=O CNP0496622.0 [0,0,1,1,0,0|2,0,0]=4 234 B12R1.78 C=CC1=CC=C(C(=C1)OC)OC CNP0198714.0 [0,0,1,1,0,0|2,0,0]=4 235 B12R1.78 COC1=CC=C(C=C1C=O)C=O CNP0350650.0 [0,0,1,1,0,0|1,0,0]=3 236 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CNP0140727.0 [1,0,0,1,0,0|2,0,0]=4 237 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [1,0,0,1,0,0|1,0,0]=3 238 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [1,0,0,1,0,0|2,0,0]=4 239 B12R2.24 CC1=CC=C2C=CC=NC2=C1 CNP0141465.0 [1,0,0,1,0,0|1,0,0]=3 240 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CNP0266426.0 [1,0,0,1,0,0|2,0,0]=4 241 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CNP0300772.0 [1,0,0,1,0,0|2,0,0]=4 242 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CNP0194351.0 [1,0,0,1,0,0|2,0,0]=4 243 B12R2.24 CC1=CN=C2C=CC=CC2=C1 CNP0281887.0 [1,0,0,1,0,0|2,0,0]=4 244 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 CNP0516094.0 [1,0,0,1,0,0|2,0,0]=4 245 B12R2.24 NC1=CC=C2C=CC=CC2=C1 CNP0262883.0 [1,0,0,1,0,0|2,0,0]=4 246 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [1,0,0,1,0,0|1,0,0]=3 247 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [1,0,0,1,0,0|2,0,0]=4 248 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [1,0,0,1,0,0|2,0,0]=4 249 B12R2.24 SC1=CC=C2C=CC=CC2=C1 CNP0003640.0 [1,0,0,1,0,0|1,1,0]=4 250 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [1,0,0,1,0,0|1,0,0]=3 251 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 CNP0107236.0 [1,0,0,1,0,0|0,0,2]=4 252 B12R2.132 O=C1CCC2=CC=C(C=C12)O CNP0121062.0 [1,0,0,1,0,0|0,0,2]=4 253 B12R2.132 O=C1COC2=CC=C(C=C12)O CNP0168548.0 [1,0,0,1,0,0|1,0,1]=4 254 B12R2.44 COC1=CC=C2C=COC2=C1 CNP0337609.0 [1,0,0,1,0,0|0,0,1]=3 255 B12R2.44 COC1=CC=C2CC=CC2=C1 CNP0276821.0 [1,0,0,1,0,0|0,0,1]=3 256 B12R2.44 COC1=CC=C2N=CNC2=C1 CNP0503942.0 [1,0,0,1,0,0|2,0,0]=4 257 B12R2.44 COC1=CC=C2NC=CC2=C1 CNP0118341.0 [1,0,0,1,0,0|1,0,0]=3 258 B12R2.44 COC1=CC=C2OC=CC2=C1 CNP0295160.0 [1,0,0,1,0,0|1,0,0]=3 259 B12R2.326 COC1=CC=C2CC(=O)C2=C1 CNP0032157.0 [1,0,0,1,0,0|0,0,1]=3 260 B12R2.1 CC=C1C=CC2=CC=CC=C12 CNP0565828.0 [0,0,0,1,1,0|2,0,0]=4 261 B12R2.1 COC1=CCC2=CC=CC=C12 CNP0054465.0 [0,0,0,1,1,0|1,0,1]=4 262 B14R2.134 COC1=CC=C2C=CC(=O)OC2=C1 CNP0107419.0 [0,1,0,1,0,0|0,0,0]=2 263 B14R2.134 COC1=CC=C2C=NC(=CC2=C1)C CNP0292494.0 [0,1,0,1,0,0|2,0,0]=4 264 B14R2.134 COC1=CC=C2CCC(=O)OC2=C1 CNP0258889.0 [0,1,0,1,0,0|0,0,2]=4 265 B14R2.134 O=CC1=CC=C2C=CC(=O)OC2=C1 CNP0605757.0 [0,1,0,1,0,0|2,0,0]=4 266 B14R2.1295 COC1=CC=C2C[C@@H](C2=C1)C(=O)O CNP0443931.2 [0,1,0,1,0,0|0,0,2]=4 267 B14R2.1295 COC1=CC=C2C[C@H](C2=C1)C(=O)O CNP0443931.1 [0,1,0,1,0,0|0,0,2]=4 268 B14R2.2332 COC1=CC=C2N=C(C=CC2=C1)C CNP0021947.0 [0,1,0,1,0,0|2,0,0]=4 269 B14R2.2332 COC1=CC=C2OC(=O)C=CC2=C1 CNP0309169.0 [0,1,0,1,0,0|2,0,0]=4 270 B14R2.781 CC(=O)C1=CC=C2C=CC=CC2=C1 CNP0163282.0 [0,1,0,1,0,0|2,0,0]=4 271 B14R2.1019 COC1=CC(=C2C=NC=CC2=C1)O CNP0574756.0 [0,1,0,1,0,0|2,0,0]=4 272 B14R2.19613 COC1=CC(=C2CNC(=O)C2=C1)O CNP0580992.0 [0,1,0,1,0,0|1,0,1]=4 273 B14R2.112 CCOC1=CC=C2C=CC=CC2=C1 CNP0003641.0 [0,1,0,1,0,0|1,0,0]=3 274 B14R2.991 CC=COC1=CC=C2OCOC2=C1 CNP0085699.0 [0,1,0,1,0,0|2,0,0]=4 275 B14R2.991 O=CC=CC1=CC=C2OCOC2=C1 CNP0233065.0 [0,1,0,1,0,0|0,0,0]=2 276 B14R2.991 OCC=CC1=CC=C2OCOC2=C1 CNP0320631.0 [0,1,0,1,0,0|0,0,2]=4 277 B14R2.1 COC1=CC=C(C=C1)C2=COC=N2 CNP0299864.0 [0,1,0,1,0,0|1,0,0]=3 278 B14R2.142 CCC1=CC=C2C=CC=C(C2=C1)C CNP0611604.0 [0,1,0,1,0,0|2,0,0]=4 279 B14R2.142 COC1=CC=C2C=CC=C(C2=N1)O CNP0383374.0 [0,1,0,1,0,0|1,0,1]=4 280 B14R2.142 COC1=CC=C2N=CC=C(C2=C1)C CNP0235585.0 [0,1,0,1,0,0|1,0,0]=3 281 B14R2.142 COC1=CC=C2OC=CC(=O)C2=C1 CNP0021965.0 [0,1,0,1,0,0|0,0,0]=2 282 B14R2.142 COC1=CC=C2OCCC(=O)C2=C1 CNP0032076.0 [0,1,0,1,0,0|0,0,2]=4 283 B14R2.2497 COC1=CC=C2NC=C(C2=C1)C=O CNP0370694.0 [0,1,0,1,0,0|0,0,0]=2 284 B14R2.1801 COC1=CC=C2C(=O)C=CCC2=C1 CNP0065010.0 [0,1,0,1,0,0|1,0,0]=3 285 B14R2.92 COC1=CC=C2C=CC=CC2=C1C CNP0031037.0 [0,1,0,1,0,0|1,0,0]=3 286 B14R2.1128 COC1=CC2=C(C=C1O)OC=CC2 CNP0132369.0 [0,1,0,1,0,0|2,0,0]=4 287 B14R2.1128 COC1=CC2=CC=CC=C2C=C1O CNP0565978.0 [0,1,0,1,0,0|1,0,0]=3 288 B14R2.1128 COC1=CC2=CC=CC=C2OC1=O CNP0191557.0 [0,1,0,1,0,0|2,0,0]=4 289 B14R2.1128 COC1=CC2=CC=NC=C2C=C1O CNP0040035.0 [0,1,0,1,0,0|2,0,0]=4 290 B14R2.2167 COC1=CC2=C(OC=C2C=C1C)O CNP0546510.0 [0,1,0,1,0,0|1,0,1]=4 291 B14R2.2495 COC1=CC=C2COC(=O)C2=C1O CNP0296376.0 [0,1,0,1,0,0|1,0,1]=4