0 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,0,0|1,0,2]=3 3 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,0,0,0,0,0|1,0,1]=2 6 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,0,0,0,0,0|1,0,3]=4 8 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,0,0,0,0,0|1,0,0]=1 9 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,0,0,0,0,0|1,0,2]=3 10 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,0,0,0,0,0|2,0,1]=3 11 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [0,0,0,0,0,0|2,1,1]=4 14 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,0,0,0,0,0|1,0,0]=1 15 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,0,0,0,0,0|1,0,2]=3 16 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,0,0,0,0,0|0,0,2]=2 17 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,0,0,0,0,0|0,0,0]=0 18 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,0,0,0,0,0|1,0,0]=1 19 B11R1.91 O=C(O)C=CC1=CCCCC1 CNP0158200.0 [0,0,0,0,0,0|0,0,4]=4 20 B11R1.91 O=C(O)C=CC1C=CC=CC1 CNP0538582.0 [0,0,0,0,0,0|0,0,2]=2 21 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,0,0,0,0,0|0,0,2]=2 22 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,0,0,0,0,0|1,0,1]=2 23 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,0,0,0,0,0|1,0,1]=2 24 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,0,0,0,0,0|1,0,1]=2 25 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,0,0,0,0,0|1,0,3]=4 26 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [0,0,0,0,0,0|1,0,3]=4 27 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,0,0,0,0,0|1,0,2]=4 28 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,0,0,0,0,0|1,0,1]=3 31 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.17 N#CC=CC1=CC=CC=C1 CNP0156189.0 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.17 NCC=CC1=CC=CC=C1 CNP0077152.0 [1,0,0,0,0,0|1,0,1]=3 34 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [1,0,0,0,0,0|1,0,2]=4 35 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [1,0,0,0,0,0|0,0,0]=1 36 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,0,0,0,0,0|0,0,2]=3 37 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,0,0,0,0,0|1,0,1]=3 38 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,0,0,0,0,0|1,0,1]=3 40 B10R1.17 OCC#CC1=CC=CC=C1 CNP0492963.0 [1,0,0,0,0,0|0,0,3]=4 41 B10R1.17 OCC=CC1=CC=CC=C1 CNP0214953.0 [1,0,0,0,0,0|0,0,1]=2 42 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,0,0,0,0,0|0,0,3]=4 43 B10R1.17 OCCOC1=CC=CC=C1 CNP0397013.0 [1,0,0,0,0,0|1,0,2]=4 44 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,0,0,0,0,0|1,0,2]=4 45 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [1,0,0,0,0,0|1,0,1]=3 46 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [1,0,0,0,0,0|1,1,0]=3 47 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [1,0,0,0,0,0|1,1,1]=4 48 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,1,0,0,0,0|1,0,2]=4 50 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,1,0,0,0,0|1,0,2]=4 51 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [0,1,0,0,0,0|0,0,0]=1 54 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,1,0,0,0,0|0,0,2]=3 55 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [0,1,0,0,0,0|1,0,0]=2 56 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [0,1,0,0,0,0|1,0,0]=2 57 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [0,1,0,0,0,0|1,0,2]=4 58 B12R1.21 NC(=O)N=NC1=CC=C(C=C1)O CNP0318057.0 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,1,0,0,0,0|0,0,2]=3 61 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [0,1,0,0,0,0|0,0,0]=1 62 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [0,1,0,0,0,0|0,0,0]=1 63 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [0,1,0,0,0,0|0,0,0]=1 64 B12R1.21 O=C(O)C=CC1C=CC(=CC1)O CNP0583876.0 [0,1,0,0,0,0|0,0,2]=3 65 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,1,0,0,0,0|0,0,2]=3 66 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [0,1,0,0,0,0|1,0,1]=3 67 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [0,1,0,0,0,0|1,0,1]=3 68 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [0,1,0,0,0,0|1,0,1]=3 69 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [0,1,0,0,0,0|1,0,1]=3 70 B12R1.21 O=[N+]([O-])C=CC1=CC=C(C=C1)O CNP0507113.0 [0,1,0,0,0,0|1,0,1]=3 71 B12R1.21 OB(O)C=CC1=CC=C(C=C1)Cl CNP0527100.0 [0,1,0,0,0,0|1,0,1]=3 72 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [0,1,0,0,0,0|1,0,0]=2 73 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,1,0,0,0,0|1,0,2]=4 74 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,1,0,0,0,0|3,0,0]=4 75 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,1,0,0,0,0|1,0,0]=2 77 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,1,0,0,0,0|0,0,0]=1 78 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,1,0,0,0,0|1,0,0]=2 79 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,1,0,0,0,0|0,0,2]=3 80 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,1,0,0,0,0|1,1,1]=4 81 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,1,0,0,0,0|0,0,0]=1 84 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,1,0,0,0,0|2,0,1]=4 85 B12R1.43 C=C(Cl)C(=O)OC1=CC=CC=C1 CNP0300036.0 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [0,1,0,0,0,0|0,0,0]=1 87 B12R1.43 CC(=CC1=CC=CC=C1)[N+](=O)[O-] CNP0485758.0 [0,1,0,0,0,0|1,0,1]=3 88 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,1,0,0,0,0|1,0,0]=2 89 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,1,0,0,0,0|1,0,1]=3 90 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,1,0,0,0,0|2,0,0]=3 91 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,1,0,0,0,0|1,0,2]=4 92 B12R1.43 CN(O)C(=O)CC1=CC=CC=C1 CNP0104612.0 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,1,0,0,0,0|0,0,2]=3 94 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [0,1,0,0,0,0|1,0,1]=3 95 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,1,0,0,0,0|0,0,2]=3 96 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [0,1,0,0,0,0|1,0,1]=3 97 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [0,1,0,0,0,0|1,0,1]=3 98 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [0,1,0,0,0,0|0,0,0]=1 99 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [0,1,0,0,0,0|1,0,1]=3 100 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [0,1,0,0,0,0|1,0,2]=4 101 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [0,1,0,0,0,0|1,0,2]=4 102 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,1,0,0,0,0|0,0,2]=3 103 B12R1.43 N[C@@H](CC1=CC=CC=N1)C(=O)O CNP0184941.1 [0,1,0,0,0,0|1,0,2]=4 104 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O CNP0351562.2 [0,1,0,0,0,0|1,0,2]=4 105 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [0,1,0,0,0,0|1,0,1]=3 106 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,1,0,0,0,0|0,0,2]=3 107 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O CNP0351562.1 [0,1,0,0,0,0|1,0,2]=4 108 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [0,1,0,0,0,0|0,0,0]=1 109 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [0,1,0,0,0,0|0,0,0]=1 110 B12R1.43 O=C(O)C(=CC1=CC=NC=C1)O CNP0276347.0 [0,1,0,0,0,0|1,0,0]=2 111 B12R1.43 O=C(O)C(=O)C=C1C=CNC=C1 CNP0483926.0 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,1,0,0,0,0|0,0,1]=2 113 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,1,0,0,0,0|0,0,2]=3 114 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,1,0,0,0,0|0,0,2]=3 115 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,1,0,0,0,0|1,0,1]=3 117 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 CNP0062873.0 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,1,0,0,0,0|2,0,1]=4 119 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [0,1,0,0,0,0|0,0,2]=3 120 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [0,1,0,0,0,0|0,0,2]=3 121 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.1 [0,1,0,0,0,0|1,0,2]=4 122 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [0,1,0,0,0,0|0,0,2]=3 123 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.2 [0,1,0,0,0,0|1,0,2]=4 124 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [0,1,0,0,0,0|0,0,2]=3 125 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [0,1,0,0,0,0|0,0,2]=3 126 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,1,0,0,0,0|1,0,0]=2 127 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,1,0,0,0,0|1,0,2]=4 128 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,1,0,0,0,0|2,0,1]=4 129 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [0,1,0,0,0,0|1,0,0]=2 130 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [0,1,0,0,0,0|0,0,0]=1 131 B12R1.125 CC1=CC=NC=C1C=CC(=O)O CNP0467544.0 [0,1,0,0,0,0|1,0,0]=2 132 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [0,1,0,0,0,0|1,0,2]=4 133 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [0,1,0,0,0,0|0,0,0]=1 134 B12R1.125 O=C(O)/C=C/C1=CC=CC[C@@H]1O CNP0190830.1 [0,1,0,0,0,0|0,0,2]=3 135 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [0,1,0,0,0,0|0,0,0]=1 136 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [0,1,0,0,0,0|0,0,0]=1 137 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [0,1,0,0,0,0|0,0,2]=3 138 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [0,1,0,0,0,0|1,0,1]=3 139 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [0,1,0,0,0,0|0,0,0]=1 141 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [0,1,0,0,0,0|0,0,0]=1 142 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [0,1,0,0,0,0|0,0,0]=1 143 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [0,1,0,0,0,0|0,0,2]=3 144 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [0,1,0,0,0,0|1,0,1]=3 145 B12R1.226 O=C(O)CSC1=CC=CC(=N1)Cl CNP0286786.0 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.891 O=P(O)(O)COC1=CC=CC=C1 CNP0461163.0 [0,1,0,0,0,0|2,0,1]=4 147 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [0,0,1,0,0,0|1,0,2]=4 148 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CNP0140727.0 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [0,0,0,1,0,0|2,0,0]=3 150 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [0,0,0,1,0,0|2,0,0]=3 151 B12R2.24 CC1=CC=C2C=CC=NC2=C1 CNP0141465.0 [0,0,0,1,0,0|3,0,0]=4 152 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CNP0266426.0 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CNP0300772.0 [0,0,0,1,0,0|3,0,0]=4 154 B12R2.24 CC1=CN=C2C=CC=CC2=C1 CNP0281887.0 [0,0,0,1,0,0|3,0,0]=4 155 B12R2.24 CC1=CN=C2C=CC=CC2=N1 CNP0280946.0 [0,0,0,1,0,0|3,0,0]=4 156 B12R2.24 C[N+]1=CC=C2C=CC=CC2=C1 CNP0516094.0 [0,0,0,1,0,0|3,0,0]=4 157 B12R2.24 ClC1=CC=C2C=CC=CC2=N1 CNP0033055.0 [0,0,0,1,0,0|2,0,0]=3 158 B12R2.24 NC1=CC=C2C=CC=CC2=C1 CNP0262883.0 [0,0,0,1,0,0|2,0,0]=3 159 B12R2.24 NC1=CC=C2C=CC=CC2=N1 CNP0246278.0 [0,0,0,1,0,0|2,0,0]=3 160 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CNP0060887.0 [0,0,0,1,0,0|3,0,0]=4 161 B12R2.24 NC1=CN=C2C=CC=CC2=C1 CNP0222196.0 [0,0,0,1,0,0|3,0,0]=4 162 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,0,0,1,0,0|1,0,0]=2 163 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,0,0,1,0,0|1,0,0]=2 164 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,0,0,1,0,0|0,0,0]=1 165 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,1,0,0|2,0,1]=4 166 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,0,0|1,0,2]=4 167 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,1,0,0|1,0,2]=4 168 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,1,0,0|0,0,2]=3 169 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,0,0,1,0,0|2,0,1]=4 170 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,0,0,1,0,0|1,0,1]=3 171 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [0,0,0,1,0,0|2,0,0]=3 172 B12R2.24 OC1=CC=C2C=CC=CC2=C1 CNP0320773.0 [0,0,0,1,0,0|1,0,0]=2 173 B12R2.24 OC1=CC=C2C=CC=CC2=N1 CNP0325103.0 [0,0,0,1,0,0|1,0,0]=2 174 B12R2.24 OC1=CC=C2OCC=CC2=C1 CNP0535758.0 [0,0,0,1,0,0|2,0,1]=4 175 B12R2.24 OC1=CN=C2C=CC=CC2=C1 CNP0597819.0 [0,0,0,1,0,0|2,0,0]=3 176 B12R2.24 OC1=NC=C2C=CC=CC2=N1 CNP0582642.0 [0,0,0,1,0,0|2,0,0]=3 177 B12R2.24 SC1=CC=C2C=CC=CC2=C1 CNP0003640.0 [0,0,0,1,0,0|1,1,0]=3 178 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [0,0,0,1,0,0|2,0,0]=3 179 B12R2.2403 CC1(C=CC2=CC=CC=C12)C CNP0024865.0 [0,0,0,1,0,0|2,0,1]=4 180 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [0,0,0,1,0,0|0,0,2]=3 181 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [0,0,0,1,0,0|0,0,2]=3 182 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [0,0,0,0,1,0|2,0,0]=3 183 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,0,0,0,1,0|2,0,1]=4 184 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,0,0,0,1,0|2,0,0]=3 185 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,0,0,0,1,0|3,0,0]=4 186 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,0,0,1,0|1,0,1]=3 187 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,0,0,1,0|2,0,0]=3 188 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,0,0,1,0|2,0,0]=3 189 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,0,0,0,1,0|3,0,0]=4 190 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,0,0,0,1,0|2,1,0]=4 191 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,0,0,0,1,0|2,0,1]=4 192 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [0,0,0,0,1,0|2,1,0]=4 193 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,0,0,0,1,0|1,0,1]=3 194 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [0,0,0,0,1,0|2,0,1]=4 195 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [0,0,0,0,1,0|2,0,0]=3 196 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [0,0,0,0,1,0|2,1,0]=4 197 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,0,0,0,1,0|1,0,1]=3 198 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,0,0,0,1,0|1,0,1]=3 199 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,0,0,1,0|0,0,1]=2 200 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,0,0,0,1,0|1,0,1]=3 201 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,0,0,0,1,0|1,0,1]=3 202 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,0,0,0,1,0|2,0,0]=3 203 B10R1.66 NC(=O)C=CC1=CC=CO1 CNP0083004.0 [0,0,0,0,1,0|2,0,0]=3 204 B10R1.66 NC(=O)C=CC1=CNC=C1 CNP0558804.0 [0,0,0,0,1,0|2,0,0]=3 205 B10R1.66 O=C(O)C=CC1=CC=CO1 CNP0477259.0 [0,0,0,0,1,0|1,0,0]=2 206 B10R1.66 O=C(O)C=CC1=CN=CN1 CNP0254048.0 [0,0,0,0,1,0|2,0,0]=3 207 B10R1.66 O=C(O)C=CC1=CNC=C1 CNP0242786.0 [0,0,0,0,1,0|1,0,0]=2 208 B10R1.66 O=C(O)C=CC1=CNC=N1 CNP0547920.0 [0,0,0,0,1,0|2,0,0]=3 209 B10R1.66 O=[N+]([O-])C=CC1=CC=CO1 CNP0511622.0 [0,0,0,0,1,0|2,0,1]=4 210 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,0,0,0,0,1|2,0,1]=4 211 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [0,0,0,0,0,1|2,0,0]=3 212 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [0,0,0,0,0,1|1,0,2]=4 213 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [0,0,0,0,0,1|1,0,2]=4 214 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [0,0,0,0,0,1|1,0,0]=2 215 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [0,0,0,0,0,1|1,0,2]=4 216 B12R1.252 NC(=O)NN=CC1=CC=CC=C1 CNP0048901.0 [0,0,0,0,0,1|2,0,0]=3 217 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,0,0,0,0,1|0,0,0]=1 218 B12R1.252 O=C(O)CC=CC1=CC=CN=C1 CNP0110379.0 [0,0,0,0,0,1|1,0,0]=2 219 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,0,0,0,0,1|0,0,2]=3 220 B12R1.252 O=C(O)CCCC1=CC=CN=C1 CNP0002375.0 [0,0,0,0,0,1|1,0,2]=4 221 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [0,0,0,0,0,1|0,0,2]=3 222 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,0,0,0,0,1|0,0,2]=3 223 B9R0.2 CC=CC=CC=CC(=O)O CNP0249309.0 [1,0,1,0,0,0|0,0,1]=3 224 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [2,0,0,0,0,0|0,0,1]=3 225 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [2,0,0,0,0,0|1,0,0]=3 226 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [2,0,0,0,0,0|1,0,0]=3 227 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [2,0,0,0,0,0|0,0,1]=3 228 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [2,0,0,0,0,0|1,0,1]=4 229 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [2,0,0,0,0,0|0,0,1]=3 230 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [2,0,0,0,0,0|1,0,0]=3 231 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [2,0,0,0,0,0|1,0,0]=3 232 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [2,0,0,0,0,0|1,0,0]=3 233 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [2,0,0,0,0,0|0,0,2]=4 234 B9R1.8 ON=CC1=CC=CC=C1 CNP0086460.0 [2,0,0,0,0,0|1,0,0]=3 235 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [2,0,0,0,0,0|1,0,1]=4 236 B11R0.148 CCC=CCC=CC=CC(=O)O CNP0120995.0 [0,1,1,0,0,0|0,0,2]=4 237 B11R0.148 CCCC=CC=CC=CC(=O)O CNP0201761.0 [0,1,1,0,0,0|0,0,2]=4 238 B11R0.85 O=C(O)C=CC(=O)C=CC(=O)O CNP0356752.0 [0,1,1,0,0,0|2,0,0]=4 239 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [1,1,0,0,0,0|0,0,0]=2 240 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [1,1,0,0,0,0|0,0,0]=2 242 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [1,1,0,0,0,0|0,0,2]=4 243 B11R1.1 OCC=CC1=CC=C(C=C1)O CNP0243646.0 [1,1,0,0,0,0|0,0,1]=3 244 B11R1.1 ON=CCC1=CC=C(C=C1)O CNP0165556.0 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [1,1,0,0,0,0|2,0,0]=4 246 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [1,1,0,0,0,0|0,0,2]=4 247 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [1,1,0,0,0,0|1,0,1]=4 248 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [1,1,0,0,0,0|2,0,0]=4 249 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [1,1,0,0,0,0|0,0,0]=2 250 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [1,1,0,0,0,0|0,0,0]=2 253 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.28 CC=CC=CC1=CC=CC=N1 CNP0080784.0 [1,1,0,0,0,0|2,0,0]=4 255 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [1,1,0,0,0,0|1,0,1]=4 256 B11R1.28 CCCC=CC1=CC=CC=C1 CNP0133408.0 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.28 CNCC=CC1=CC=CC=C1 CNP0268805.0 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [1,1,0,0,0,0|0,0,0]=2 259 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [1,1,0,0,0,0|0,0,2]=4 260 B11R1.28 ON=CC=CC1=CC=CC=C1 CNP0222067.0 [1,1,0,0,0,0|0,0,0]=2 261 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [1,1,0,0,0,0|0,0,2]=4 262 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [1,1,0,0,0,0|0,1,1]=4 263 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [1,1,0,0,0,0|0,0,0]=2 264 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [1,1,0,0,0,0|2,0,0]=4 265 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [1,1,0,0,0,0|0,0,2]=4 266 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [1,1,0,0,0,0|0,0,2]=4 267 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [1,1,0,0,0,0|0,0,2]=4 268 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [1,1,0,0,0,0|0,0,2]=4 269 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [1,1,0,0,0,0|0,0,2]=4 270 B11R1.40 O=C(CC1=CC=CC=C1)NO CNP0275698.0 [1,1,0,0,0,0|1,0,1]=4 271 B11R1.40 O=C(CO)NC1=CC=CC=C1 CNP0492856.0 [1,1,0,0,0,0|1,0,1]=4 272 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [1,1,0,0,0,0|0,0,0]=2 273 B11R1.40 ON=C(S)CC1=CC=CC=C1 CNP0359280.0 [1,1,0,0,0,0|1,0,1]=4 274 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,1,0,0,1,0|1,0,1]=4 275 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,1,0,0,1,0|1,0,1]=4 276 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,1,0,0,1,0|2,0,0]=4 277 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,1,0,0,1,0|2,0,0]=4 278 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,1,0,0,1,0|2,0,0]=4 279 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,1,0,0,1,0|2,0,0]=4 280 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,1,0,0,1,0|2,0,0]=4 281 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,1,0,0,1,0|2,0,0]=4 282 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [0,1,0,0,1,0|1,0,1]=4 283 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [0,1,0,0,1,0|2,0,0]=4 284 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [0,1,0,0,1,0|2,0,0]=4 285 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,1,0,0,1,0|0,0,1]=3 286 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,1,0,0,1,0|0,0,1]=3 287 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,1,0,0,1,0|0,0,1]=3 288 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [0,1,0,0,1,0|1,0,0]=3 289 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [0,1,0,0,1,0|0,0,2]=4 290 B11R1.20 O=C1C=CC(C=C1)CC(=O)O CNP0605531.0 [0,1,0,0,1,0|0,0,2]=4 291 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,1,0,0,1,0|1,0,0]=3 292 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,1,0,0,1,0|0,0,1]=3 293 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,1,0,0,1,0|0,0,1]=3 294 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,1,0,0,1,0|1,0,0]=3 295 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [0,1,0,0,1,0|1,0,1]=4 296 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [0,1,0,0,1,0|1,0,1]=4 297 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [0,1,0,0,1,0|1,0,1]=4 298 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,1,0,0,1,0|0,0,1]=3 299 B11R1.36 N[C@@H](C(=O)O)C1=CC=CN=C1 CNP0515087.2 [0,1,0,0,1,0|1,0,1]=4 300 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,1,0,0,1,0|0,0,1]=3 301 B11R1.36 N[C@H](C(=O)O)C1=CC=CN=C1 CNP0515087.1 [0,1,0,0,1,0|1,0,1]=4 302 B11R1.36 O=C(C1=CC=CC=C1)C(O)O CNP0177704.0 [0,1,0,0,1,0|0,0,2]=4 303 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,1,0,0,1,0|1,0,0]=3 304 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,1,0,0,1,0|0,0,0]=2 305 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,1,0,0,1,0|0,0,1]=3 306 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,1,0,0,1,0|0,0,1]=3 307 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,1,0,0,1,0|2,0,0]=4 308 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,1,0,0,1,0|2,0,0]=4 309 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,1,0,0,1,0|2,0,0]=4 310 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,1,0,0,1,0|2,0,0]=4 311 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,1,0,0,1,0|2,0,0]=4 312 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,1,0,0,1,0|2,0,0]=4 313 B11R1.86 NC(=O)NC1=CC=CC=C1N CNP0330070.0 [0,1,0,0,1,0|2,0,0]=4 314 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,1,0,0,1,0|0,0,1]=3 315 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,1,0,0,1,0|0,0,1]=3 316 B11R1.86 O=C(O)CC1=COC=CC1=O CNP0138896.0 [0,1,0,0,1,0|1,0,1]=4 317 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,1,0,0,1,0|2,0,0]=4 318 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [0,1,0,0,1,0|2,0,0]=4 319 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [0,1,0,0,1,0|2,0,0]=4 320 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,1,0,0,1,0|2,0,0]=4 321 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,1,0,0,1,0|2,0,0]=4 322 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,1,0,0,1,0|2,0,0]=4 323 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,1,0,0,1,0|0,0,1]=3 324 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,1,0,0,1,0|0,0,1]=3 325 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CNP0083459.0 [0,1,0,0,1,0|2,0,0]=4 326 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 CNP0529775.0 [0,1,0,0,1,0|1,0,1]=4 327 B11R1.509 O=S(=O)(O)OC1=CC=CC=C1 CNP0567034.0 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.25 COC(=O)C=CC1=CC=CO1 CNP0003236.0 [0,1,0,0,1,0|1,0,0]=3 329 B11R1.25 COC(=O)C=CC1=CNC=C1 CNP0269800.0 [0,1,0,0,1,0|1,0,0]=3 330 B11R1.25 COC(=O)C=CC1=CNC=N1 CNP0271540.0 [0,1,0,0,1,0|2,0,0]=4 331 B11R1.75 O=C(O)C=CC1=CC(=O)CC1 CNP0224386.0 [0,1,0,0,1,0|0,0,2]=4 332 B13R1.45 C=C(COC(=O)C)C1=CC=CC=C1 CNP0111069.0 [0,1,0,0,0,1|1,0,1]=4 333 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 CNP0232667.0 [0,1,0,0,0,1|1,0,1]=4 334 B13R1.45 CC(=O)OC=C(C)C1=CC=CC=C1 CNP0052211.0 [0,1,0,0,0,1|1,0,0]=3 335 B13R1.45 C[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0372042.1 [0,1,0,0,0,1|0,0,2]=4 336 B13R1.45 NC(=O)NNC(=O)C1=CC=CC=C1 CNP0065171.0 [0,1,0,0,0,1|2,0,0]=4 337 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.2 [0,1,0,0,0,1|0,0,2]=4 338 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.1 [0,1,0,0,0,1|0,0,2]=4 339 B13R1.45 O=C(O)C=CC(=O)C1=CC=CC=C1 CNP0009522.0 [0,1,0,0,0,1|0,0,0]=2 340 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CNP0453495.0 [0,1,0,0,0,1|0,0,1]=3 341 B13R1.45 O=C(O)CCC(=O)C1=CC=CN=C1 CNP0220622.0 [0,1,0,0,0,1|1,0,1]=4 342 B13R1.45 O=C(O)CC[C@@H](O)C1=CC=CC=C1 CNP0303655.1 [0,1,0,0,0,1|0,0,2]=4 343 B13R1.45 O=C(O)CC[C@H](O)C1=CC=CC=C1 CNP0303655.2 [0,1,0,0,0,1|0,0,2]=4 344 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 CNP0201196.0 [0,1,0,0,0,1|0,0,1]=3 345 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=N1 CNP0247858.0 [0,1,0,0,0,1|1,0,1]=4 346 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 CNP0229746.0 [0,1,0,0,0,1|1,0,1]=4 347 B13R1.158 CC1=CC=CC=C1C=CCC(=O)N CNP0577535.0 [0,1,0,0,0,1|1,0,0]=3 348 B13R1.158 O=C(O)CC=CC1=CC=CC=C1O CNP0121004.0 [0,1,0,0,0,1|0,0,0]=2 349 B13R1.158 O=C(O)CCCC1=CC=CC=C1O CNP0277650.0 [0,1,0,0,0,1|0,0,2]=4 350 B13R1.348 CC(=O)C=C(C)NC1=CC=CC=C1 CNP0070664.0 [0,1,0,0,0,1|1,0,0]=3 351 B13R1.348 CC(=O)CC(=CC1=CC=CC=C1)C CNP0258512.0 [0,1,0,0,0,1|1,0,0]=3 352 B13R1.348 CC(=O)CC(=NC1=CC=CC=C1)C CNP0377921.0 [0,1,0,0,0,1|1,0,1]=4 353 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 CNP0191800.0 [0,1,0,0,0,1|1,0,1]=4 354 B13R1.348 NC(=O)NC(=O)OC1=CC=CC=C1 CNP0150119.0 [0,1,0,0,0,1|2,0,0]=4 355 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CNP0238803.0 [0,1,0,0,0,1|0,0,2]=4 356 B13R1.348 O=C(O)CC(=O)NC1=CC=CC=C1 CNP0071010.0 [0,1,0,0,0,1|0,0,1]=3 357 B13R1.351 CC(=O)C(=CNC1=CC=CC=C1)C CNP0106967.0 [0,1,0,0,0,1|1,0,0]=3 358 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.1 [0,1,0,0,0,1|0,0,2]=4 359 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O CNP0294633.1 [0,1,0,0,0,1|0,0,2]=4 360 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.2 [0,1,0,0,0,1|0,0,2]=4 361 B13R1.351 O=C(O)C(=O)NCC1=CC=CC=N1 CNP0478013.0 [0,1,0,0,0,1|1,0,1]=4 362 B13R1.351 O=C(O)[C@@H](O)COC1=CC=CC=C1 CNP0287022.1 [0,1,0,0,0,1|0,0,2]=4 363 B13R1.513 CC(=O)C=CNC1=CC=C(C=C1)Br CNP0465673.0 [0,1,0,0,0,1|1,0,0]=3 364 B13R1.513 CC(=O)CC=CC1=CC=C(C=C1)O CNP0480900.0 [0,1,0,0,0,1|1,0,0]=3 365 B13R1.513 CC1=CC=C(C=C1)C=NNC(=O)N CNP0031707.0 [0,1,0,0,0,1|2,0,0]=4 366 B13R1.513 NC(=NC=CC1=CC=C(C=C1)O)N CNP0274620.0 [0,1,0,0,0,1|2,0,0]=4 367 B13R1.718 COC(=O)C=CNC1=CC=CC=C1 CNP0065304.0 [0,1,0,0,0,1|0,0,0]=2 368 B13R1.718 COC(=O)CC=CC1=CC=CC=C1 CNP0207145.0 [0,1,0,0,0,1|0,0,0]=2 369 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CNP0068339.0 [0,1,0,0,0,1|0,0,2]=4 370 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CNP0175539.0 [0,1,0,0,0,1|0,0,2]=4 371 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O CNP0457495.0 [0,2,0,0,0,0|0,0,2]=4 372 B13R1.3 COC1=CC=C(C=C1)C#CC(=O)O CNP0598557.0 [0,2,0,0,0,0|0,0,2]=4 373 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)C CNP0085604.0 [0,2,0,0,0,0|1,0,0]=3 374 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)N CNP0497592.0 [0,2,0,0,0,0|1,0,0]=3 375 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)O CNP0250415.0 [0,2,0,0,0,0|0,0,0]=2 376 B13R1.3 COC1=CC=C(C=C1)C=C[N+](=O)[O-] CNP0600697.0 [0,2,0,0,0,0|1,0,1]=4 377 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O CNP0156617.0 [0,2,0,0,0,0|0,0,2]=4 378 B13R1.3 COC1=CC=C(C=C1)OCC(=O)O CNP0080091.0 [0,2,0,0,0,0|1,0,1]=4 379 B13R1.3 CSC1=CC=C(C=C1)C=CC(=O)O CNP0602100.0 [0,2,0,0,0,0|0,0,0]=2 380 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Br CNP0066263.0 [0,2,0,0,0,0|0,0,0]=2 381 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)C CNP0331308.0 [0,2,0,0,0,0|0,0,0]=2 382 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O CNP0173530.0 [0,2,0,0,0,0|0,0,0]=2 383 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O CNP0208741.0 [0,2,0,0,0,0|0,0,2]=4 384 B13R1.14 O=C(C=CC1=CC=C(C=C1)Cl)NO CNP0534943.0 [0,2,0,0,0,0|0,0,0]=2 385 B13R1.132 CC(=CC(=O)O)C1=CC=C(C=C1)C CNP0475378.0 [0,2,0,0,0,0|0,0,0]=2 386 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O CNP0350054.0 [0,2,0,0,0,0|0,0,2]=4 387 B13R1.132 CC1=CC=C(C=C1)[C@@H](C)CC(=O)O CNP0075903.1 [0,2,0,0,0,0|0,0,2]=4 388 B13R1.132 CC1=CC=C(C=C1)[C@H](C)CC(=O)O CNP0075903.2 [0,2,0,0,0,0|0,0,2]=4 389 B13R1.132 C[C@@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.2 [0,2,0,0,0,0|0,0,2]=4 390 B13R1.132 C[C@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.1 [0,2,0,0,0,0|0,0,2]=4 391 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)O CNP0013657.0 [0,2,0,0,0,0|0,0,2]=4 392 B13R1.132 O=C(O)CC(=O)C1=CC=C(C=C1)O CNP0180291.0 [0,2,0,0,0,0|0,0,1]=3 393 B13R1.133 CC(=CC1=CC=C(C=C1)I)C(=O)O CNP0438539.0 [0,2,0,0,0,0|0,0,0]=2 394 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)Br CNP0058879.0 [0,2,0,0,0,0|2,0,0]=4 395 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)C CNP0188373.0 [0,2,0,0,0,0|2,0,0]=4 396 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)Cl CNP0065177.0 [0,2,0,0,0,0|2,0,0]=4 397 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)I CNP0050257.0 [0,2,0,0,0,0|2,0,0]=4 398 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)Br CNP0032596.0 [0,2,0,0,0,0|2,0,0]=4 399 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)C CNP0407432.0 [0,2,0,0,0,0|2,0,0]=4 400 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)Cl CNP0046230.0 [0,2,0,0,0,0|2,0,0]=4 401 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)I CNP0058183.0 [0,2,0,0,0,0|2,0,0]=4 402 B13R1.133 CC(OC1=CC=C(C=C1)Cl)C(=O)O CNP0119097.0 [0,2,0,0,0,0|1,0,1]=4 403 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O CNP0582979.0 [0,2,0,0,0,0|0,0,1]=3 404 B13R1.133 C[C@@H](OC1=CC=C(C=C1)O)C(=O)O CNP0437991.1 [0,2,0,0,0,0|1,0,1]=4 405 B13R1.133 N=C(CC1=CC=C(C=C1)O)C(=O)O CNP0435695.0 [0,2,0,0,0,0|0,0,1]=3 406 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O CNP0187252.1 [0,2,0,0,0,0|0,0,2]=4 407 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O CNP0187252.2 [0,2,0,0,0,0|0,0,2]=4 408 B13R1.133 NN(CC1=CC=C(C=C1)O)C(=O)O CNP0565576.0 [0,2,0,0,0,0|1,0,1]=4 409 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.1 [0,2,0,0,0,0|0,0,2]=4 410 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.2 [0,2,0,0,0,0|0,0,2]=4 411 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.1 [0,2,0,0,0,0|0,0,2]=4 412 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.1 [0,2,0,0,0,0|0,0,2]=4 413 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.2 [0,2,0,0,0,0|0,0,2]=4 414 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.1 [0,2,0,0,0,0|0,0,2]=4 415 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.2 [0,2,0,0,0,0|0,0,2]=4 416 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.2 [0,2,0,0,0,0|0,0,2]=4 417 B13R1.133 O=C(O)C(=CC1=CC=C(C=C1)O)O CNP0185306.0 [0,2,0,0,0,0|0,0,0]=2 418 B13R1.133 O=C(O)C(=O)CC1=CC=C(C=C1)O CNP0412003.0 [0,2,0,0,0,0|0,0,1]=3 419 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)O CNP0177541.1 [0,2,0,0,0,0|0,0,2]=4 420 B13R1.133 O=C(O)[C@@H](S)CC1=CC=C(C=C1)I CNP0587186.1 [0,2,0,0,0,0|0,0,2]=4 421 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)O CNP0177541.2 [0,2,0,0,0,0|0,0,2]=4 422 B13R1.164 CC1=CC(=CC=C1C=CC(=O)O)O CNP0075799.0 [0,2,0,0,0,0|0,0,0]=2 423 B13R1.164 CC1=CC(=CC=C1CCC(=O)O)O CNP0075798.0 [0,2,0,0,0,0|0,0,2]=4 424 B13R1.164 O=C(O)C=CC1=CC=C(C=C1O)O CNP0192872.0 [0,2,0,0,0,0|0,0,0]=2 425 B13R1.164 O=C(O)CCC1=CC=C(C=C1O)O CNP0154079.0 [0,2,0,0,0,0|0,0,2]=4 426 B13R1.164 O=C(O)COC1=CC=C(C=C1Cl)Cl CNP0341289.0 [0,2,0,0,0,0|1,0,1]=4 427 B13R1.341 O=C(O)C=CC1=CCC(C=C1)(O)O CNP0479342.0 [0,2,0,0,0,0|0,0,2]=4 428 B13R1.511 CC(=O)C=CC1=CC=C(C(=C1)O)O CNP0261862.0 [0,2,0,0,0,0|1,0,0]=3 429 B13R1.511 CC1=CC(=CC=C1O)C=CC(=O)O CNP0164069.0 [0,2,0,0,0,0|0,0,0]=2 430 B13R1.511 NC(=O)C=CC1=CC=C(C(=C1)O)O CNP0555794.0 [0,2,0,0,0,0|1,0,0]=3 431 B13R1.511 O=C(O)C=CC1=CC(=O)C(=O)C=C1 CNP0081893.0 [0,2,0,0,0,0|0,0,0]=2 432 B13R1.511 O=C(O)C=CC1=CC=C(C(=C1)Cl)Cl CNP0275534.0 [0,2,0,0,0,0|0,0,0]=2 433 B13R1.511 O=C(O)C=CC1=CC=C(C(=C1)O)O CNP0186784.0 [0,2,0,0,0,0|0,0,0]=2 434 B13R1.511 O=C(O)C=CC1C=CC(=C(C1)O)O CNP0489222.0 [0,2,0,0,0,0|0,0,2]=4 435 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)Cl)O CNP0565501.0 [0,2,0,0,0,0|0,0,2]=4 436 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)O)O CNP0265756.0 [0,2,0,0,0,0|0,0,2]=4 437 B13R1.511 O=[N+]([O-])C=CC1=CC=C(C(=C1)O)O CNP0342199.0 [0,2,0,0,0,0|1,0,1]=4 438 B13R1.514 O=C(O)C=CC1(C=CC(=O)C=C1)O CNP0086939.0 [0,2,0,0,0,0|0,0,1]=3 439 B13R1.11 COC(=O)C[C@@H](C)C1=CC=CC=C1 CNP0391081.2 [0,2,0,0,0,0|0,0,2]=4 440 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CNP0474335.1 [0,2,0,0,0,0|0,0,2]=4 441 B13R1.11 COC(=O)C[C@@H](O)C1=CC=CC=C1 CNP0209133.2 [0,2,0,0,0,0|0,0,2]=4 442 B13R1.11 COC(=O)C[C@H](C)C1=CC=CC=C1 CNP0391081.1 [0,2,0,0,0,0|0,0,2]=4 443 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CNP0474335.2 [0,2,0,0,0,0|0,0,2]=4 444 B13R1.11 COC(=O)C[C@H](O)C1=CC=CC=C1 CNP0209133.1 [0,2,0,0,0,0|0,0,2]=4 445 B13R1.15 CCC(=O)C=CC1=CC=CC(=O)O1 CNP0574296.0 [0,2,0,0,0,0|2,0,0]=4 446 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)Cl CNP0033800.0 [0,2,0,0,0,0|0,0,0]=2 447 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)O CNP0082062.0 [0,2,0,0,0,0|0,0,0]=2 448 B13R1.42 C=COC(=O)C=CC1=CC=CC=C1 CNP0604637.0 [0,2,0,0,0,0|0,0,0]=2 449 B13R1.42 CC#CC(=O)C=CC1=CC=CC=C1 CNP0236750.0 [0,2,0,0,0,0|1,0,0]=3 450 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 CNP0238965.0 [0,2,0,0,0,0|0,0,0]=2 451 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [0,2,0,0,0,0|0,0,2]=4 452 B13R1.42 O=C(C=CO)CCC1=CC=CC=C1 CNP0049810.0 [0,2,0,0,0,0|0,0,2]=4 453 B13R1.42 O=C(CCO)CCC1=CC=CC=C1 CNP0150058.0 [0,2,0,0,0,0|0,0,2]=4 454 B13R1.135 COC(=O)C(=CC1=CC=CC=C1)N CNP0597874.0 [0,2,0,0,0,0|0,0,0]=2 455 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [0,2,0,0,0,0|0,0,1]=3 456 B13R1.135 COC(=O)[C@@H](C)NC1=CC=CC=C1 CNP0588654.2 [0,2,0,0,0,0|1,0,1]=4 457 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0261581.3 [0,2,0,0,0,0|0,0,2]=4 458 B13R1.135 COC(=O)[C@@H](N)OC1=CC=CC=C1 CNP0170775.1 [0,2,0,0,0,0|1,0,1]=4 459 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0387243.1 [0,2,0,0,0,0|0,0,2]=4 460 B13R1.135 COC(=O)[C@H](C)NC1=CC=CC=C1 CNP0588654.1 [0,2,0,0,0,0|1,0,1]=4 461 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CNP0261581.2 [0,2,0,0,0,0|0,0,2]=4 462 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CNP0387243.2 [0,2,0,0,0,0|0,0,2]=4 463 B13R1.417 COC(C=CC1=CC=CC=C1)OC CNP0250710.0 [0,2,0,0,0,0|0,0,2]=4 464 B13R1.528 COC(=O)C=CC1=CC=CC=C1O CNP0476201.0 [0,2,0,0,0,0|0,0,0]=2 465 B13R1.148 CC1=CC=CC(=C1)C[C@H](N)C(=O)O CNP0530805.1 [0,2,0,0,0,0|0,0,2]=4 466 B13R1.148 C[C@@H](CC1=CC=CC(=C1)O)C(=O)O CNP0356280.1 [0,2,0,0,0,0|0,0,2]=4 467 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O CNP0201266.1 [0,2,0,0,0,0|0,0,2]=4 468 B13R1.148 O=C(O)C(=O)CC1=CC=CC(=C1)O CNP0150167.0 [0,2,0,0,0,0|0,0,1]=3 469 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](N)C(=O)O CNP0350308.4 [0,2,0,0,0,0|0,0,2]=4 470 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0463734.1 [0,2,0,0,0,0|0,0,2]=4 471 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O CNP0350308.2 [0,2,0,0,0,0|0,0,2]=4 472 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](O)C(=O)O CNP0463734.3 [0,2,0,0,0,0|0,0,2]=4 473 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](N)C(=O)O CNP0350308.3 [0,2,0,0,0,0|0,0,2]=4 474 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0463734.4 [0,2,0,0,0,0|0,0,2]=4 475 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O CNP0350308.1 [0,2,0,0,0,0|0,0,2]=4 476 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O CNP0463734.2 [0,2,0,0,0,0|0,0,2]=4 477 B13R1.152 N[C@@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 CNP0361341.4 [0,2,0,0,0,0|0,0,2]=4 478 B13R1.152 N[C@@H](C(=O)O)[C@H](O)C1=CC=CC=C1 CNP0361341.2 [0,2,0,0,0,0|0,0,2]=4 479 B13R1.152 N[C@H](C(=O)O)C(O)C1=CC=CC=C1 CNP0361341.1 [0,2,0,0,0,0|0,0,2]=4 480 B13R1.152 N[C@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 CNP0361341.3 [0,2,0,0,0,0|0,0,2]=4 481 B13R1.152 N[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 CNP0361341.5 [0,2,0,0,0,0|0,0,2]=4 482 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0214237.1 [0,2,0,0,0,0|0,0,2]=4 483 B13R1.152 O=C(O)C(=C(Br)C1=CC=CC=C1)Br CNP0267224.0 [0,2,0,0,0,0|0,0,0]=2 484 B13R1.152 O=C(O)C(=O)C(O)C1=CC=CC=C1 CNP0056799.0 [0,2,0,0,0,0|0,0,1]=3 485 B13R1.152 O=C(O)[C@@H](Br)[C@@H](Br)C1=CC=CC=C1 CNP0445487.3 [0,2,0,0,0,0|0,0,2]=4 486 B13R1.152 O=C(O)[C@@H](Br)[C@H](Br)C1=CC=CC=C1 CNP0445487.4 [0,2,0,0,0,0|0,0,2]=4 487 B13R1.152 O=C(O)[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0234856.1 [0,2,0,0,0,0|0,0,2]=4 488 B13R1.152 O=C(O)[C@H](Br)[C@@H](Br)C1=CC=CC=C1 CNP0445487.1 [0,2,0,0,0,0|0,0,2]=4 489 B13R1.152 O=C(O)[C@H](Br)[C@H](Br)C1=CC=CC=C1 CNP0445487.2 [0,2,0,0,0,0|0,0,2]=4 490 B13R1.202 C[C@H](CC1=CC=CC=C1O)C(=O)O CNP0488255.1 [0,2,0,0,0,0|0,0,2]=4 491 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O CNP0300752.2 [0,2,0,0,0,0|0,0,2]=4 492 B13R1.202 N[C@H](CC1=CC=CC=C1O)C(=O)O CNP0300752.1 [0,2,0,0,0,0|0,0,2]=4 493 B13R1.202 O=C(O)C(=O)CC1=CC=CC=C1O CNP0164162.0 [0,2,0,0,0,0|0,0,1]=3 494 B13R1.202 O=C(O)[C@@H](O)CC1=CC=CC=C1O CNP0312598.1 [0,2,0,0,0,0|0,0,2]=4 495 B13R1.418 CC(=O)C(=CN)CC1=CC=CC=C1 CNP0043268.0 [0,2,0,0,0,0|1,0,1]=4 496 B13R1.418 CCC(=CC1=CC=CC=C1)C(=O)O CNP0325742.0 [0,2,0,0,0,0|0,0,0]=2 497 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O CNP0187424.1 [0,2,0,0,0,0|0,0,2]=4 498 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O CNP0187424.2 [0,2,0,0,0,0|0,0,2]=4 499 B13R1.418 COC(=CC1=CC=CC=C1)C(=O)O CNP0540263.0 [0,2,0,0,0,0|0,0,0]=2 500 B13R1.418 CO[C@@H](CC1=CC=CC=C1)C(=O)O CNP0243391.2 [0,2,0,0,0,0|0,0,2]=4 501 B13R1.418 CO[C@H](CC1=CC=CC=C1)C(=O)O CNP0243391.1 [0,2,0,0,0,0|0,0,2]=4 502 B13R1.418 N#CC(=CC1=CC=CC=C1)C(=O)N CNP0128787.0 [0,2,0,0,0,0|1,0,0]=3 503 B13R1.418 NC(=O)C(=NO)CC1=CC=CC=C1 CNP0186138.0 [0,2,0,0,0,0|1,0,1]=4 504 B13R1.418 O=C(O)C(=NO)CC1=CC=CC=C1 CNP0272865.0 [0,2,0,0,0,0|0,0,1]=3 505 B13R1.418 O=C(O)[C@@H](CC1=CC=CC=C1)NO CNP0288777.1 [0,2,0,0,0,0|0,0,2]=4 506 B13R1.418 O=C(O)[C@@H](CS)CC1=CC=CC=C1 CNP0581897.1 [0,2,0,0,0,0|0,0,2]=4 507 B13R1.418 O=C(O)[C@H](CC1=CC=CC=C1)NO CNP0288777.2 [0,2,0,0,0,0|0,0,2]=4 508 B13R1.418 O=C(O)[C@H](CI)CC1=CC=CC=C1 CNP0546564.1 [0,2,0,0,0,0|0,0,2]=4 509 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O CNP0049229.2 [0,2,0,0,0,0|0,0,2]=4 510 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O CNP0049229.1 [0,2,0,0,0,0|0,0,2]=4 511 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)Br CNP0396883.1 [0,2,0,0,0,0|0,0,2]=4 512 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(=C1)Br CNP0396883.2 [0,2,0,0,0,0|0,0,2]=4 513 B13R1.147 O=C(O)CC(O)C1=CC=CC(=C1)O CNP0083903.0 [0,2,0,0,0,0|0,0,2]=4 514 B13R1.201 CC1=CC=CC=C1C(=C[N+](=O)[O-])O CNP0601794.0 [0,2,0,0,0,0|1,0,1]=4 515 B13R1.201 CC1=CC=CC=C1C(=O)CC(=O)N CNP0141279.0 [0,2,0,0,0,0|1,0,1]=4 516 B13R1.201 NC1=CC=CC=C1C(=O)CC(=O)O CNP0081989.0 [0,2,0,0,0,0|0,0,1]=3 517 B13R1.352 O=C(OP(=O)(O)O)C1=CC=CC=C1 CNP0083793.0 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 CNP0530045.0 [0,2,0,0,0,0|0,0,2]=4 519 B13R1.90 COC1=CC=CC=C1C=CC(=O)O CNP0180961.0 [0,2,0,0,0,0|0,0,0]=2 520 B13R1.90 COC1=CC=CC=C1CCC(=O)O CNP0307963.0 [0,2,0,0,0,0|0,0,2]=4 521 B13R1.90 COC1=CC=CC=C1OCC(=O)O CNP0575814.0 [0,2,0,0,0,0|1,0,1]=4 522 B13R1.90 N#CC1=CC=CC=C1C=CC(=O)O CNP0133457.0 [0,2,0,0,0,0|0,0,0]=2 523 B13R1.90 O=CC1=CC=CC=C1OCC(=O)O CNP0437828.0 [0,2,0,0,0,0|1,0,1]=4 524 B13R1.150 O=C(O)C=CC1=CC=CC(=C1O)O CNP0316964.0 [0,2,0,0,0,0|0,0,0]=2 525 B13R1.150 O=C(O)C=CC1=CC=CC(C1O)O CNP0055682.0 [0,2,0,0,0,0|0,0,2]=4 526 B13R1.893 O=C(O)C=CC1=CC(=CC=C1O)O CNP0110380.0 [0,2,0,0,0,0|0,0,0]=2 527 B13R1.893 O=[N+]([O-])C=CC1=CC(=CC=C1O)Cl CNP0554419.0 [0,2,0,0,0,0|1,0,1]=4 528 B13R1.3787 CC1=CC=CC(=C1OCC(=O)O)C CNP0491445.0 [0,2,0,0,0,0|1,0,1]=4 529 B13R1.3787 O=C(O)C=CC1=C(C=CC=C1Cl)Cl CNP0065410.0 [0,2,0,0,0,0|0,0,0]=2 530 B13R1.3787 O=C(O)C=CC1=C(C=CC=C1O)O CNP0153086.0 [0,2,0,0,0,0|0,0,0]=2 531 B13R1.643 COC1=CC=CC(=C1)C=CC(=O)O CNP0263486.0 [0,2,0,0,0,0|0,0,0]=2 532 B13R1.643 COC1=CC=CC(=C1)C=C[N+](=O)[O-] CNP0478941.0 [0,2,0,0,0,0|1,0,1]=4 533 B13R1.643 COC1=CC=CC(=C1)CCC(=O)O CNP0181921.0 [0,2,0,0,0,0|0,0,2]=4 534 B13R1.3420 CC1=CC(=CC(=C1)C=CC(=O)O)C CNP0453525.0 [0,2,0,0,0,0|0,0,0]=2 535 B13R1.3420 O=C(O)C=CC1=CC(=CC(=C1)O)O CNP0306704.0 [0,2,0,0,0,0|0,0,0]=2 536 B13R1.3420 O=C(O)CCC1=CC(=CC(=C1)O)O CNP0301577.0 [0,2,0,0,0,0|0,0,2]=4 537 B11R1.53 CNC1=CC=CC=C1C(=O)O CNP0163080.0 [0,0,1,1,0,0|1,0,1]=4 538 B11R1.53 COC1=CC=CC=C1C(=O)O CNP0156098.0 [0,0,1,1,0,0|1,0,1]=4 539 B11R1.53 O=C(O)C1=CC=CC=C1CO CNP0283123.0 [0,0,1,1,0,0|1,0,1]=4 540 B11R1.53 O=C(O)C1=CC=CC=C1NO CNP0085034.0 [0,0,1,1,0,0|2,0,0]=4 541 B11R1.53 O=CC1=CC=CC=C1C(=O)O CNP0610125.0 [0,0,1,1,0,0|1,0,0]=3 542 B11R1.53 O=NC1=CC=CC=C1C(=O)O CNP0076644.0 [0,0,1,1,0,0|2,0,0]=4 543 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O CNP0357224.0 [0,0,1,1,0,0|2,0,0]=4 544 B11R1.266 COC1=CC=CC(=C1)C(=O)O CNP0251972.0 [0,0,1,1,0,0|1,0,1]=4 545 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr CNP0445236.0 [0,0,1,1,0,0|1,0,1]=4 546 B11R1.266 O=CC1=CC=CC(=C1)C(=O)O CNP0507166.0 [0,0,1,1,0,0|1,0,0]=3 547 B11R1.167 CC1=CC=C(C(=C1)C(=O)O)C CNP0331077.0 [0,0,1,1,0,0|0,0,2]=4 548 B11R1.167 CC1=CC=C(C=C1C(=O)O)O CNP0535211.0 [0,0,1,1,0,0|1,0,1]=4 549 B11R1.167 NC1=CC=C(C(=C1)C(=O)O)O CNP0079833.0 [0,0,1,1,0,0|2,0,0]=4 550 B11R1.167 NC1=CC=C(C=C1C(=O)O)O CNP0213879.0 [0,0,1,1,0,0|2,0,0]=4 551 B11R1.167 O=C(O)C1=CC(=CC=C1O)O CNP0187458.0 [0,0,1,1,0,0|2,0,0]=4 552 B11R2.1 BrC1=CNC2=CC=CC=C12 CNP0206140.0 [1,0,0,1,0,0|2,0,0]=4 553 B11R2.1 BrC1=CSC2=CC=CC=C12 CNP0467720.0 [1,0,0,1,0,0|2,0,0]=4 554 B11R2.1 C=C1C=CC2=CC=CC=C12 CNP0560850.0 [1,0,0,1,0,0|1,0,0]=3 555 B11R2.1 C=C1C=NC2=CC=CC=C12 CNP0049672.0 [1,0,0,1,0,0|2,0,0]=4 556 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [1,0,0,1,0,0|1,0,1]=4 557 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [1,0,0,1,0,0|2,0,0]=4 558 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [1,0,0,1,0,0|2,0,0]=4 559 B11R2.1 C[C@@H]1C=CC2=CC=CC=C12 CNP0066516.2 [1,0,0,1,0,0|1,0,1]=4 560 B11R2.1 C[C@H]1C=CC2=CC=CC=C12 CNP0066516.1 [1,0,0,1,0,0|1,0,1]=4 561 B11R2.1 ClC1=CNC2=CC=CC=C12 CNP0395645.0 [1,0,0,1,0,0|2,0,0]=4 562 B11R2.1 NC1=CNC2=CC=CC=C12 CNP0109824.0 [1,0,0,1,0,0|2,0,0]=4 563 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [1,0,0,1,0,0|1,0,0]=3 564 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [1,0,0,1,0,0|0,0,2]=4 565 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [1,0,0,1,0,0|1,0,1]=4 566 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [1,0,0,1,0,0|1,0,1]=4 567 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [1,0,0,1,0,0|1,0,0]=3 568 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [1,0,0,1,0,0|1,0,1]=4 569 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [1,0,0,1,0,0|2,0,0]=4 570 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [1,0,0,1,0,0|1,0,1]=4 571 B11R2.1 OC1=CNC2=CC=CC=C12 CNP0133122.0 [1,0,0,1,0,0|1,0,0]=3 572 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [1,0,0,1,0,0|1,0,1]=4 573 B11R2.1 OC1=NOC2=CC=CC=C12 CNP0079924.0 [1,0,0,1,0,0|2,0,0]=4 574 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [1,0,0,1,0,0|1,0,1]=4 575 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [1,0,0,1,0,0|2,0,0]=4 576 B11R2.20 C1=CC2=CC=CC=C2OC1 CNP0050375.0 [1,0,0,1,0,0|0,0,1]=3 577 B11R2.20 C1=CC=C2C=CC=CC2=C1 CNP0256712.0 [1,0,0,1,0,0|1,0,0]=3 578 B11R2.20 C1=CC=C2C=NC=CC2=C1 CNP0263666.0 [1,0,0,1,0,0|2,0,0]=4 579 B11R2.20 C1=CC=C2N=CC=CC2=C1 CNP0279563.0 [1,0,0,1,0,0|1,0,0]=3 580 B11R2.20 C1=CC=C2N=CC=NC2=C1 CNP0127883.0 [1,0,0,1,0,0|2,0,0]=4 581 B11R2.20 C1=CC=C2N=CN=CC2=C1 CNP0141742.0 [1,0,0,1,0,0|2,0,0]=4 582 B11R2.20 C1=CN=C2C=NC=CC2=C1 CNP0564328.0 [1,0,0,1,0,0|2,0,0]=4 583 B11R2.988 ON=C1CC2=CC=CC=C12 CNP0045163.0 [1,0,0,1,0,0|1,0,1]=4 584 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [0,0,0,1,1,0|2,0,0]=4 585 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [0,0,0,1,1,0|1,0,0]=3 586 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [0,0,0,1,1,0|1,1,0]=4 587 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [0,0,0,1,1,0|2,0,0]=4 588 B11R2.10 ClC1=CC2=CC=CC=C2N1 CNP0429411.0 [0,0,0,1,1,0|2,0,0]=4 589 B11R2.10 O=C1C=C2C=CC=CC2=N1 CNP0594715.0 [0,0,0,1,1,0|1,0,0]=3 590 B11R2.10 O=C1C=C2C=COC=C2O1 CNP0541223.0 [0,0,0,1,1,0|1,0,0]=3 591 B11R2.10 O=C1C=C2CC=CC=C2O1 CNP0610824.0 [0,0,0,1,1,0|0,0,1]=3 592 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [0,0,0,1,1,0|1,0,1]=4 593 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,0,0,1,1,0|0,0,1]=3 594 B11R2.10 O=C1NC2=CC=CC=C2O1 CNP0175268.0 [0,0,0,1,1,0|1,0,0]=3 595 B11R2.10 O=C1NC2=CC=CC=C2S1 CNP0569879.0 [0,0,0,1,1,0|1,1,0]=4 596 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [0,0,0,1,1,0|1,0,1]=4 597 B11R2.10 OC1=NC2=CC=CC=C2O1 CNP0479137.0 [0,0,0,1,1,0|1,0,1]=4 598 B11R2.10 OC1=NC2=CC=CC=C2S1 CNP0172585.0 [0,0,0,1,1,0|1,1,0]=4 599 B11R2.36 OC1=CC=C2C=COC2=C1 CNP0263236.0 [0,0,0,1,1,0|2,0,0]=4 600 B11R2.36 OC1=CC=C2CC=CC2=C1 CNP0259723.0 [0,0,0,1,1,0|1,0,1]=4 601 B11R2.36 OC1=CC=C2NC=CC2=C1 CNP0421176.0 [0,0,0,1,1,0|2,0,0]=4 602 B11R2.36 OC1=CC=C2OC=CC2=C1 CNP0360936.0 [0,0,0,1,1,0|2,0,0]=4 603 B13R2.10 NC1=NC(=CS1)C2=CC=CC=C2 CNP0595332.0 [0,0,0,1,0,1|2,0,0]=4 604 B13R2.10 NC1=NN=C(O1)C2=CC=CC=C2 CNP0030280.0 [0,0,0,1,0,1|2,0,0]=4 605 B13R2.10 NC1=[NH+]C(=CS1)C2=CC=CC=C2 CNP0554759.0 [0,0,0,1,0,1|2,0,0]=4 606 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 CNP0352665.0 [0,0,0,1,0,1|1,0,1]=4 607 B13R2.10 O=C1CNC(=N1)C2=CC=CC=C2 CNP0040410.0 [0,0,0,1,0,1|1,0,1]=4 608 B13R2.10 O=C1CSC(=N1)C2=CC=CC=C2 CNP0049999.0 [0,0,0,1,0,1|1,0,1]=4 609 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0207381.1 [0,0,0,1,0,1|0,0,2]=4 610 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 CNP0207381.2 [0,0,0,1,0,1|0,0,2]=4 611 B13R2.72 CC(=O)C1=CNC2=CC=CC=C12 CNP0402989.0 [0,0,0,1,0,1|1,0,0]=3 612 B13R2.72 CC(=O)N1C=CC2=CC=CC=C12 CNP0113091.0 [0,0,0,1,0,1|1,0,0]=3 613 B13R2.72 NC(=O)C1=CNC2=CC=CC=C12 CNP0534194.0 [0,0,0,1,0,1|1,0,0]=3 614 B13R2.72 O=C(O)C1=C2C=CC=CC2=NC1 CNP0439159.0 [0,0,0,1,0,1|0,0,1]=3 615 B13R2.72 O=C(O)C1=CNC2=CC=CC=C12 CNP0272837.0 [0,0,0,1,0,1|0,0,0]=2 616 B13R2.72 O=C(O)C1=CSC2=CC=CC=C12 CNP0443315.0 [0,0,0,1,0,1|0,0,0]=2 617 B13R2.72 O=C(O)C1C=CC2=CC=CC=C12 CNP0085963.0 [0,0,0,1,0,1|0,0,0]=2 618 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.4 [0,0,0,1,0,1|0,0,2]=4 619 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.1 [0,0,0,1,0,1|0,0,2]=4 620 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.3 [0,0,0,1,0,1|0,0,2]=4 621 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.2 [0,0,0,1,0,1|0,0,2]=4 622 B13R2.5881 CC(=O)C=C1CC2=CC=CC=C12 CNP0132730.0 [0,0,0,1,0,1|1,0,0]=3 623 B13R2.155 CC1=CC=C2C=CC(=CC2=C1)O CNP0109582.0 [0,1,0,1,0,0|1,0,0]=3 624 B13R2.155 CC1=CC=C2C=CC(=NC2=C1)C CNP0224653.0 [0,1,0,1,0,0|2,0,0]=4 625 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 CNP0053708.0 [0,1,0,1,0,0|0,0,0]=2 626 B13R2.155 NC1=CC=C2C=CC(=O)NC2=C1 CNP0167186.0 [0,1,0,1,0,0|1,0,0]=3 627 B13R2.155 O=C1C=CC2=CC=C(C=C2O1)O CNP0291283.0 [0,1,0,1,0,0|0,0,0]=2 628 B13R2.155 O=C1CCC2=CC=C(C=C2O1)O CNP0221407.0 [0,1,0,1,0,0|0,0,2]=4 629 B13R2.155 OC1=CC=C2C=CC(=CC2=C1)O CNP0611657.0 [0,1,0,1,0,0|1,0,0]=3 630 B13R2.32 CC1=CC=C2C=CC=CC2=C1C CNP0125770.0 [0,1,0,1,0,0|2,0,0]=4 631 B13R2.32 CC1=CC=C2C=CC=CC2=C1O CNP0079966.0 [0,1,0,1,0,0|1,0,0]=3 632 B13R2.32 CC1=CC=C2C=CC=CC2=[N+]1C CNP0554757.0 [0,1,0,1,0,0|2,0,0]=4 633 B13R2.32 CC1=CC=C2C=CC=CC2=[N+]1[O-] CNP0552927.0 [0,1,0,1,0,0|1,0,1]=4 634 B13R2.32 CC1=COC2=CC=CC=C2C1=O CNP0287052.0 [0,1,0,1,0,0|2,0,0]=4 635 B13R2.32 CN1C(=O)C=CC2=CC=CC=C12 CNP0123557.0 [0,1,0,1,0,0|1,0,0]=3 636 B13R2.32 O=C1C(=COC2=CC=CC=C12)Br CNP0278171.0 [0,1,0,1,0,0|2,0,0]=4 637 B13R2.32 O=C1C=CC2=CC=CC=C2C1=O CNP0033512.0 [0,1,0,1,0,0|0,0,1]=3 638 B13R2.32 O=C1COC2=CC=CC=C2N1O CNP0252582.0 [0,1,0,1,0,0|1,0,1]=4 639 B13R2.32 OC1=C(C=CC2=CC=CN=C12)Br CNP0349964.0 [0,1,0,1,0,0|2,0,0]=4 640 B13R2.32 OC1=CC=C2C=CC=CC2=C1O CNP0130639.0 [0,1,0,1,0,0|0,0,1]=3 641 B13R2.32 OC1=CN=C2C=CC=CC2=C1O CNP0037450.0 [0,1,0,1,0,0|1,0,1]=4 642 B13R2.32 O[C@@H]1C2=CC=CC=C2C=C[C@@H]1O CNP0225338.2 [0,1,0,1,0,0|0,0,2]=4 643 B13R2.32 O[C@H]1C=CC2=CC=CC=C2[C@@H]1O CNP0225338.1 [0,1,0,1,0,0|0,0,2]=4 644 B13R2.33 O=C1C=CC2=CC=CC=C2C=C1 CNP0470971.0 [0,1,0,1,0,0|1,0,0]=3 645 B13R2.33 O=C1C=CC2=CN=CC=C2CC1 CNP0312086.0 [0,1,0,1,0,0|2,0,0]=4 646 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [0,1,0,1,0,0|0,0,2]=4 647 B13R2.57 C=CC1=CC=C2C=CC=CC2=C1 CNP0076873.0 [0,1,0,1,0,0|2,0,0]=4 648 B13R2.57 CCC1=CC=C2C=CC=CC2=C1 CNP0389841.0 [0,1,0,1,0,0|2,0,0]=4 649 B13R2.57 COC1=CC=C2C=CC=CC2=C1 CNP0110785.0 [0,1,0,1,0,0|1,0,0]=3 650 B13R2.57 N#CC1=CC=C2C=CC=CC2=C1 CNP0294953.0 [0,1,0,1,0,0|2,0,0]=4 651 B13R2.57 NNC1=CC=C2C=CC=CC2=C1 CNP0200433.0 [0,1,0,1,0,0|2,0,0]=4 652 B13R2.57 O=CC1=CC=C2C=CC=CC2=C1 CNP0393707.0 [0,1,0,1,0,0|1,0,0]=3 653 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CNP0375851.0 [0,1,0,1,0,0|2,0,0]=4 654 B13R2.57 OCC1=CC=C2C=CC=CC2=C1 CNP0129350.0 [0,1,0,1,0,0|1,0,0]=3 655 B13R2.57 OCC1=CC=C2C=CC=CC2=N1 CNP0090515.0 [0,1,0,1,0,0|1,0,0]=3 656 B13R2.369 CC1=CC2=CC=CC=C2C=C1C CNP0221248.0 [0,1,0,1,0,0|2,0,0]=4 657 B13R2.369 CC1=CC2=CC=CC=C2N=C1C CNP0267853.0 [0,1,0,1,0,0|2,0,0]=4 658 B13R2.369 CC1=CC2=CC=CC=C2N=C1O CNP0132288.0 [0,1,0,1,0,0|1,0,0]=3 659 B13R2.369 CC1=CC2=CC=CC=C2OC1=O CNP0554094.0 [0,1,0,1,0,0|0,0,0]=2 660 B13R2.369 NC1=CC2=CC=CC=C2OC1=O CNP0022464.0 [0,1,0,1,0,0|0,0,0]=2 661 B13R2.369 O=C1N=C2C=CC=CC2=NC1=O CNP0466838.0 [0,1,0,1,0,0|2,0,0]=4 662 B13R2.369 O=C1NC2=CC=CC=C2NC1=O CNP0494204.0 [0,1,0,1,0,0|2,0,0]=4 663 B13R2.369 O=C1NC2=CC=CC=C2OC1=O CNP0289759.0 [0,1,0,1,0,0|1,0,0]=3 664 B13R2.369 O=C1OC2=CC=CC=C2C=C1Cl CNP0586906.0 [0,1,0,1,0,0|0,0,0]=2 665 B13R2.369 O=C1OC2=CC=CC=C2C=C1O CNP0227778.0 [0,1,0,1,0,0|0,0,0]=2 666 B13R2.369 OC1=CC2=CC=CC=C2C=C1O CNP0610143.0 [0,1,0,1,0,0|1,0,0]=3 667 B13R2.369 OC1=CC2=CC=NC=C2C=C1O CNP0329716.0 [0,1,0,1,0,0|2,0,0]=4 668 B13R2.435 CC(=O)C1=CC2=CC=CC=C2C1 CNP0049314.0 [0,1,0,1,0,0|1,0,0]=3 669 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 CNP0524572.0 [0,1,0,1,0,0|1,0,0]=3 670 B13R2.435 N=C(N)C1=CC2=CC=CC=C2S1 CNP0483277.0 [0,1,0,1,0,0|2,0,0]=4 671 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 CNP0273430.0 [0,1,0,1,0,0|0,0,0]=2 672 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 CNP0251705.0 [0,1,0,1,0,0|0,0,0]=2 673 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 CNP0443849.0 [0,1,0,1,0,0|0,0,0]=2 674 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 CNP0500150.0 [0,1,0,1,0,0|1,0,0]=3 675 B13R2.435 O=C(O)[C@@H]1CC2=CC=CC=C2N1 CNP0087377.1 [0,1,0,1,0,0|0,0,2]=4 676 B13R2.435 OB(O)C1=CC2=CC=CC=C2S1 CNP0568164.0 [0,1,0,1,0,0|1,0,1]=4 677 B13R2.5517 C[C@@]1(CC2=CC=CC=C12)C(=O)O CNP0476499.2 [0,1,0,1,0,0|0,0,2]=4 678 B13R2.5517 C[C@]1(CC2=CC=CC=C12)C(=O)O CNP0476499.1 [0,1,0,1,0,0|0,0,2]=4 679 B13R2.328 CC1=CC(=C2C=CC=CC2=C1)C CNP0318754.0 [0,1,0,1,0,0|2,0,0]=4 680 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)C CNP0211039.0 [0,1,0,1,0,0|2,0,0]=4 681 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)N CNP0568512.0 [0,1,0,1,0,0|2,0,0]=4 682 B13R2.328 CC1=CC(=C2C=CC=CC2=N1)O CNP0344629.0 [0,1,0,1,0,0|2,0,0]=4 683 B13R2.328 CC1=CC(=C2C=CC=CC2=[NH+]1)N CNP0537497.0 [0,1,0,1,0,0|2,0,0]=4 684 B13R2.328 CC1=CC(=NC2=CC=CC=C12)O CNP0373109.0 [0,1,0,1,0,0|1,0,0]=3 685 B13R2.328 CC1=CC(=O)NC2=CC=CC=C12 CNP0579434.0 [0,1,0,1,0,0|1,0,0]=3 686 B13R2.328 CC1=CC(=O)OC2=CC=CC=C12 CNP0027289.0 [0,1,0,1,0,0|0,0,0]=2 687 B13R2.328 CC1=CC(=S)C2=CC=CC=C2N1 CNP0143259.0 [0,1,0,1,0,0|2,0,0]=4 688 B13R2.328 NC1=CC(=O)OC2=CC=CC=C12 CNP0024724.0 [0,1,0,1,0,0|0,0,0]=2 689 B13R2.328 O=C1C=C(C2=CC=CC=C2N1)O CNP0229016.0 [0,1,0,1,0,0|1,0,0]=3 690 B13R2.328 O=C1C=C(C2=CC=CC=C2O1)Cl CNP0571047.0 [0,1,0,1,0,0|0,0,0]=2 691 B13R2.328 O=C1C=C(C2=CC=CC=C2O1)O CNP0411974.0 [0,1,0,1,0,0|0,0,0]=2 692 B13R2.328 O=C1C=C(OC2=CC=CC=C12)O CNP0038758.0 [0,1,0,1,0,0|0,0,1]=3 693 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 CNP0028027.0 [0,1,0,1,0,0|2,0,0]=4 694 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CNP0265654.0 [0,1,0,1,0,0|2,0,0]=4 695 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 CNP0149436.0 [0,1,0,1,0,0|2,0,0]=4 696 B13R2.328 O=C1N=C(C2=CC=CC=C2O1)O CNP0459624.0 [0,1,0,1,0,0|1,0,0]=3 697 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 CNP0350009.0 [0,1,0,1,0,0|2,0,0]=4 698 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CNP0468495.0 [0,1,0,1,0,0|2,0,0]=4 699 B13R2.328 OC1=CC(=C2C=CC=CC2=C1)O CNP0419188.0 [0,1,0,1,0,0|1,0,0]=3 700 B13R2.328 OC1=CC(=C2C=CC=CC2=N1)O CNP0532958.0 [0,1,0,1,0,0|1,0,0]=3 701 B13R2.328 OC1=NC(=C2C=CC=CC2=N1)O CNP0575131.0 [0,1,0,1,0,0|2,0,0]=4 702 B13R2.12159 CC1=C[C@@](C2=CC=CC=C12)(C)O CNP0137434.1 [0,1,0,1,0,0|1,0,1]=4 703 B13R2.12159 CC1=C[C@](C2=CC=CC=C12)(C)O CNP0137434.2 [0,1,0,1,0,0|1,0,1]=4 704 B13R2.222 CC1(C=CC2=CC=CC=C2O1)C CNP0201807.0 [0,1,0,1,0,0|1,0,1]=4 705 B13R2.5179 CC1=CC=C2C(=CC=CC2=C1)C CNP0218793.0 [0,1,0,1,0,0|2,0,0]=4 706 B13R2.5179 CC1=CC=C2C(=CC=CC2=N1)N CNP0067447.0 [0,1,0,1,0,0|2,0,0]=4 707 B13R2.5179 CC1=CC=CC2=C1C=CC(=O)O2 CNP0140551.0 [0,1,0,1,0,0|0,0,0]=2 708 B13R2.5179 C[C@@H]1C=CC2=C(C=CC=C2O1)O CNP0527245.1 [0,1,0,1,0,0|1,0,1]=4 709 B13R2.5179 O=C1C=CC2=C(C=CC=C2O1)O CNP0306022.0 [0,1,0,1,0,0|0,0,0]=2 710 B13R2.5179 O=C1C=COC2=CC(=CC=C12)O CNP0338956.0 [0,1,0,1,0,0|2,0,0]=4 711 B13R2.5179 OC1=CC=C2C(=CC=CC2=C1)O CNP0265937.0 [0,1,0,1,0,0|1,0,0]=3 712 B13R2.5179 OC1=CN=C2C(=CC=CC2=C1)O CNP0265313.0 [0,1,0,1,0,0|2,0,0]=4 713 B13R2.162 CC1=CC=C2C=CC=C(C2=C1)C CNP0154270.0 [0,1,0,1,0,0|2,0,0]=4 714 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)C CNP0207344.0 [0,1,0,1,0,0|2,0,0]=4 715 B13R2.162 CC1=CC=C2C=CC=C(C2=N1)O CNP0029119.0 [0,1,0,1,0,0|2,0,0]=4 716 B13R2.162 CN1C=CC=C2C1=CC(=O)C=C2 CNP0582015.0 [0,1,0,1,0,0|2,0,0]=4 717 B13R2.162 NC1=CC=CC2=CC=C(C=C12)O CNP0058557.0 [0,1,0,1,0,0|1,0,0]=3 718 B13R2.162 O=C1C=CC2=CC=CC(=C2N1)O CNP0290938.0 [0,1,0,1,0,0|1,0,0]=3 719 B13R2.162 O=C1C=CC2=CC=CC(=C2O1)O CNP0166688.0 [0,1,0,1,0,0|0,0,0]=2 720 B13R2.162 O=C1C=CNC2=CC=C(C=C12)O CNP0568965.0 [0,1,0,1,0,0|2,0,0]=4 721 B13R2.162 OC1=CC=C2C=CC=C(C2=C1)O CNP0611675.0 [0,1,0,1,0,0|1,0,0]=3 722 B13R2.162 OC1=CC=C2N=CC=C(C2=C1)O CNP0154722.0 [0,1,0,1,0,0|2,0,0]=4 723 B13R2.3683 CC1=CC=C2C=C(C=CC2=C1)C CNP0206738.0 [0,1,0,1,0,0|2,0,0]=4 724 B13R2.3683 CC1=CC=C2N=C(C=CC2=C1)C CNP0295261.0 [0,1,0,1,0,0|2,0,0]=4 725 B13R2.3683 CC1=CC=C2OC(=O)C=CC2=C1 CNP0321280.0 [0,1,0,1,0,0|0,0,0]=2 726 B13R2.3683 NC1=CC=C2C=C(C=CC2=C1)N CNP0177097.0 [0,1,0,1,0,0|2,0,0]=4 727 B13R2.3683 NC1=CC=C2C=C(C=CC2=C1)O CNP0030837.0 [0,1,0,1,0,0|1,0,0]=3 728 B13R2.3683 NC1=CC=C2OC(=O)C=CC2=C1 CNP0010263.0 [0,1,0,1,0,0|0,0,0]=2 729 B13R2.3683 O=C1C=CC2=CC(=CC=C2O1)O CNP0194748.0 [0,1,0,1,0,0|0,0,0]=2 730 B13R2.3683 O=C1C=CC2=CC(=O)C=CC2=C1 CNP0467271.0 [0,1,0,1,0,0|1,0,0]=3 731 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)Br CNP0032263.0 [0,1,0,1,0,0|1,0,0]=3 732 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)Cl CNP0130218.0 [0,1,0,1,0,0|1,0,0]=3 733 B13R2.3683 OC1=CC=C2C=C(C=CC2=C1)O CNP0421775.0 [0,1,0,1,0,0|1,0,0]=3 734 B13R3.28 C1=CC=C2C3=C(C3)C=CC2=C1 CNP0606380.0 [0,0,0,2,0,0|2,0,0]=4 735 B13R3.28 C1=CC=C2C3=C(O3)C=CC2=C1 CNP0085849.0 [0,0,0,2,0,0|1,0,0]=3 736 B13R3.28 C1=C[C@@H]2O[C@@H]2C3=CC=CC=C31 CNP0083780.1 [0,0,0,2,0,0|1,0,1]=4 737 B13R3.28 C1=C[C@H]2O[C@H]2C3=CC=CC=C31 CNP0083780.2 [0,0,0,2,0,0|1,0,1]=4 738 B9R1.12 O=CC=CC1=CC=CO1 CNP0003159.0 [1,0,0,0,1,0|1,0,0]=3 739 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,0,0,0,2,0|2,0,0]=4 740 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,0,0,0,2,0|1,0,0]=3 741 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,0,0,0,2,0|2,0,0]=4 742 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,0,0,0,2,0|2,0,0]=4 743 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,0,0,0,2,0|2,0,0]=4 744 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,0,0,0,2,0|1,0,1]=4 745 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,0,0,0,2,0|1,0,1]=4 746 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [0,0,0,0,2,0|2,0,0]=4 747 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,0,0,0,2,0|1,0,0]=3 748 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,0,0,0,2,0|2,0,0]=4 749 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [0,0,0,0,2,0|2,0,0]=4 750 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [0,0,0,0,2,0|2,0,0]=4 751 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,0,0,0,2,0|2,0,0]=4 752 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [0,0,0,0,2,0|2,0,0]=4 753 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [0,0,0,0,2,0|2,0,0]=4 754 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,0,0,0,2,0|0,0,0]=2 755 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,0,0,0,2,0|1,0,0]=3 756 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,0,0,0,2,0|1,0,0]=3 757 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,0,0,0,2,0|1,0,0]=3 758 B9R1.6 O=C(O)C1=CN=CC=N1 CNP0274739.0 [0,0,0,0,2,0|2,0,0]=4 759 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,0,0,0,2,0|0,1,0]=3 760 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,0,0,0,2,0|0,0,1]=3 761 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,0,0,0,2,0|0,0,1]=3 762 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,0,0,0,2,0|0,0,1]=3 763 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,0,0,0,2,0|1,0,1]=4 764 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [0,0,0,0,2,0|1,0,1]=4 765 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,0,0,0,2,0|1,0,0]=3 766 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [0,0,0,0,2,0|1,0,1]=4 767 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,0,0,0,2,0|1,0,0]=3 768 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,0,0,0,2,0|1,0,0]=3 769 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,0,0,0,2,0|1,0,0]=3 770 B9R1.6 OB(O)C1=CC=CC=C1 CNP0209672.0 [0,0,0,0,2,0|1,0,1]=4 771 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,0,0,0,2,0|1,0,1]=4 772 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [0,0,0,0,2,0|1,0,1]=4 773 B13R1.337 CC(=O)C=CC=CC1=CC=CC=C1 CNP0296768.0 [0,0,0,0,0,2|1,0,0]=3 774 B13R1.337 CC(=O)C=CCCC1=CC=CC=C1 CNP0172070.0 [0,0,0,0,0,2|1,0,0]=3 775 B13R1.337 CC(=O)C=CNCC1=CC=CC=C1 CNP0417107.0 [0,0,0,0,0,2|1,0,0]=3 776 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 CNP0207222.0 [0,0,0,0,0,2|1,0,0]=3 777 B13R1.337 O=C(O)C=CC=CC1=CC=CC=C1 CNP0177753.0 [0,0,0,0,0,2|0,0,0]=2 778 B13R1.337 O=C(O)CC=CCC1=CC=CC=C1 CNP0286082.0 [0,0,0,0,0,2|0,0,0]=2 779 B13R1.337 O=C(O)CCC=CC1=CC=CC=C1 CNP0594952.0 [0,0,0,0,0,2|0,0,0]=2 780 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 CNP0097941.0 [0,0,0,0,0,2|0,0,2]=4