0 B11R1.91 CC(=CCC1=CC=CC=C1)C CNP0096741.0 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 CC(=O)C=CC1=CC=CC=C1 CNP0331521.0 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.91 CC(=O)CCC1=CC=CC=C1 CNP0182353.0 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.91 CC(=O)OCC1=CC=CC=C1 CNP0361944.0 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.91 CC(=O)ONC1=CC=CC=C1 CNP0256903.0 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.91 CC(C)CCC1=CC=CC=C1 CNP0088598.0 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.91 CC(O)C=CC1=CC=CC=C1 CNP0091112.0 [0,0,0,0,0,0|1,0,3]=4 7 B11R1.91 CN(C)C=NC1=CC=CC=C1 CNP0489804.0 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.91 CN(C)CCC1=CC=CC=C1 CNP0261348.0 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.91 CN(C)N=NC1=CC=CC=C1 CNP0594797.0 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 CNP0154609.1 [0,0,0,0,0,0|1,0,2]=3 11 B11R1.91 NC(=O)C=CC1=CC=CC=C1 CNP0277735.0 [0,0,0,0,0,0|2,0,1]=3 12 B11R1.91 NC(=O)CCC1=CC=CC=C1 CNP0190126.0 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.91 NC(=O)COC1=CC=CC=C1 CNP0071085.0 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.91 NC(=O)NCC1=CC=CC=C1 CNP0071045.0 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.91 NC(=O)NNC1=CC=CC=C1 CNP0514672.0 [0,0,0,0,0,0|3,0,0]=3 16 B11R1.91 NC(=S)NCC1=CC=CC=C1 CNP0114859.0 [0,0,0,0,0,0|2,1,0]=3 17 B11R1.91 O=C(Cl)C=CC1=CC=CC=C1 CNP0314597.0 [0,0,0,0,0,0|2,0,1]=3 18 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 CNP0330120.0 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.91 O=C(O)C#CC1=CC=CC=C1 CNP0082220.0 [0,0,0,0,0,0|2,0,1]=3 20 B11R1.91 O=C(O)C=CC1=CC=CC=C1 CNP0390407.0 [0,0,0,0,0,0|2,0,1]=3 21 B11R1.91 O=C(O)C=CC1=CC=CN=C1 CNP0471683.0 [0,0,0,0,0,0|3,0,1]=4 22 B11R1.91 O=C(O)CCC1=CC=CC=C1 CNP0298094.0 [0,0,0,0,0,0|2,0,0]=2 23 B11R1.91 O=C(O)CNC1=CC=CC=C1 CNP0458877.0 [0,0,0,0,0,0|3,0,0]=3 24 B11R1.91 O=C(O)COC1=CC=CC=C1 CNP0231951.0 [0,0,0,0,0,0|3,0,0]=3 25 B11R1.91 O=C(O)NCC1=CC=CC=C1 CNP0176098.0 [0,0,0,0,0,0|2,0,0]=2 26 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CNP0605764.0 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.91 OB(O)CCC1=CC=CC=C1 CNP0528561.0 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.17 C=CCCC1=CC=CC=C1 CNP0486810.0 [1,0,0,0,0,0|1,0,1]=3 29 B10R1.17 C=CCNC1=CC=CC=C1 CNP0028683.0 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.17 C=CCOC1=CC=CC=C1 CNP0140761.0 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.17 CC=CCC1=CC=CC=C1 CNP0361275.0 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.17 CC=CCC1=CC=CCC1 CNP0130586.0 [1,0,0,0,0,0|1,0,2]=4 33 B10R1.17 CCC=CC1=CC=CC=C1 CNP0551806.0 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.17 CCCCC1=CC=CC=C1 CNP0386206.0 [1,0,0,0,0,0|1,0,1]=3 35 B10R1.17 CCCCC1=CC=CC=N1 CNP0514924.0 [1,0,0,0,0,0|2,0,1]=4 36 B10R1.17 CCCCC1=CC=CN=C1 CNP0003155.0 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.17 CCCCC1=CC=NC=C1 CNP0498690.0 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.17 CCOCC1=CC=CC=C1 CNP0003509.0 [1,0,0,0,0,0|0,0,1]=2 39 B10R1.17 CCSCC1=CC=CC=C1 CNP0297941.0 [1,0,0,0,0,0|0,1,1]=3 40 B10R1.17 CNCCC1=CC=CC=C1 CNP0329564.0 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.17 CNCCC1=CC=CC=N1 CNP0209820.0 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.17 COCCC1=CC=CC=C1 CNP0283996.0 [1,0,0,0,0,0|2,0,0]=3 43 B10R1.17 COCOC1=CC=CC=C1 CNP0025153.0 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.17 COCSC1=CC=CC=C1 CNP0048217.0 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.17 CSCCC1=CC=CC=C1 CNP0241477.0 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.17 CSSCC1=CC=CC=C1 CNP0141311.0 [1,0,0,0,0,0|1,1,0]=3 47 B10R1.17 N#CCCC1=CC=CC=C1 CNP0341083.0 [1,0,0,0,0,0|2,0,1]=4 48 B10R1.17 N#CSCC1=CC=CC=C1 CNP0192930.0 [1,0,0,0,0,0|1,1,1]=4 49 B10R1.17 NCCCC1=CC=CC=C1 CNP0538773.0 [1,0,0,0,0,0|2,0,1]=4 50 B10R1.17 NNCCC1=CC=CC=C1 CNP0340893.0 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.17 O=C=NCC1=CC=CC=C1 CNP0498912.0 [1,0,0,0,0,0|1,0,1]=3 52 B10R1.17 O=CC=CC1=CC=CC=C1 CNP0279382.0 [1,0,0,0,0,0|1,0,1]=3 53 B10R1.17 O=CCCC1=CC=CC=C1 CNP0353125.0 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.17 O=CNCC1=CC=CC=C1 CNP0021384.0 [1,0,0,0,0,0|1,0,0]=2 55 B10R1.17 O=CNNC1=CC=CC=C1 CNP0045586.0 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.17 O=COCC1=CC=CC=C1 CNP0294760.0 [1,0,0,0,0,0|0,0,0]=1 57 B10R1.17 OCCCC1=CC=CC=C1 CNP0393684.0 [1,0,0,0,0,0|1,0,2]=4 58 B10R1.17 OCSCC1=CC=CC=C1 CNP0193580.0 [1,0,0,0,0,0|0,1,2]=4 59 B10R1.17 ON=CCC1=CC=CC=C1 CNP0114756.0 [1,0,0,0,0,0|2,0,1]=4 60 B10R1.17 S=C=NCC1=CC=CC=C1 CNP0122123.0 [1,0,0,0,0,0|1,1,1]=4 61 B10R1.17 S=CC=NC1=CC=CC=C1 CNP0296748.0 [1,0,0,0,0,0|2,1,0]=4 62 B10R1.17 S=CNCC1=CC=CC=C1 CNP0159195.0 [1,0,0,0,0,0|1,1,0]=3 63 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O CNP0238281.0 [0,1,0,0,0,0|1,0,1]=3 64 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C CNP0002929.0 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.21 CC(=O)CCC1=CC=C(C=C1)O CNP0218694.0 [0,1,0,0,0,0|1,0,0]=2 66 B12R1.21 CC(=O)NCC1=CC=C(C=C1)O CNP0325229.0 [0,1,0,0,0,0|1,0,0]=2 67 B12R1.21 CC(=O)OCC1=CC=C(C=C1)C CNP0139398.0 [0,1,0,0,0,0|0,0,0]=1 68 B12R1.21 CC(C)CCC1=CC=C(C=C1)O CNP0417670.0 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O CNP0158019.0 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O CNP0556712.0 [0,1,0,0,0,0|2,0,0]=3 71 B12R1.21 CN(C)CCC1=CC=C(C=C1)O CNP0321554.0 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.21 C[C@@H](O)CCC1=CC=C(C=C1)O CNP0144737.2 [0,1,0,0,0,0|1,0,2]=4 73 B12R1.21 C[C@H](O)CCC1=CC=C(C=C1)O CNP0144737.1 [0,1,0,0,0,0|1,0,2]=4 74 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)Cl CNP0552238.0 [0,1,0,0,0,0|2,0,1]=4 75 B12R1.21 NC(=O)C=CC1=CC=C(C=C1)O CNP0070658.0 [0,1,0,0,0,0|2,0,1]=4 76 B12R1.21 NC(=O)CCC1=CC=C(C=C1)O CNP0590164.0 [0,1,0,0,0,0|2,0,0]=3 77 B12R1.21 NC(=O)N=NC1=CC=C(C=C1)O CNP0318057.0 [0,1,0,0,0,0|3,0,0]=4 78 B12R1.21 NC(=O)OCC1=CC=C(C=C1)O CNP0435961.0 [0,1,0,0,0,0|1,0,0]=2 79 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O CNP0585639.0 [0,1,0,0,0,0|2,0,0]=3 80 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Br CNP0594784.0 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)Cl CNP0031776.0 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.21 O=C(O)C=CC1=CC=C(C=C1)O CNP0255341.0 [0,1,0,0,0,0|2,0,1]=4 83 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O CNP0290882.0 [0,1,0,0,0,0|2,0,0]=3 84 B12R1.21 O=C(O)CNC1=CC=C(C=C1)O CNP0287419.0 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.21 O=C(O)COC1=CC=C(C=C1)Br CNP0468193.0 [0,1,0,0,0,0|3,0,0]=4 86 B12R1.21 O=C(O)COC1=CC=C(C=C1)Cl CNP0467480.0 [0,1,0,0,0,0|3,0,0]=4 87 B12R1.21 O=C(O)COC1=CC=C(C=C1)O CNP0053966.0 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.21 O=[N+]([O-])CCC1=CC=C(C=C1)O CNP0559272.0 [0,1,0,0,0,0|3,0,0]=4 89 B12R1.27 CC(=NO)C=CC1=CC=CC=C1 CNP0073914.0 [0,1,0,0,0,0|1,0,2]=4 90 B12R1.27 CC(C=O)CCC1=CC=CC=C1 CNP0219815.0 [0,1,0,0,0,0|1,0,1]=3 91 B12R1.27 CCC(=O)CCC1=CC=CC=C1 CNP0536432.0 [0,1,0,0,0,0|1,0,0]=2 92 B12R1.27 CCC(=O)NNC1=CC=CC=C1 CNP0034463.0 [0,1,0,0,0,0|2,0,0]=3 93 B12R1.27 CCC(=O)OCC1=CC=CC=C1 CNP0120803.0 [0,1,0,0,0,0|0,0,0]=1 94 B12R1.27 CC[C@@H](C)CCC1=CC=CC=C1 CNP0095127.1 [0,1,0,0,0,0|2,0,1]=4 95 B12R1.27 CC[C@H](O)CCC1=CC=CC=C1 CNP0327445.1 [0,1,0,0,0,0|1,0,2]=4 96 B12R1.27 CNC(=O)C=CC1=CC=CC=C1 CNP0112097.0 [0,1,0,0,0,0|1,0,1]=3 97 B12R1.27 COC(=O)C=CC1=CC=CC=C1 CNP0290830.0 [0,1,0,0,0,0|1,0,1]=3 98 B12R1.27 COC(=O)C=CC1=CC=CN=C1 CNP0057404.0 [0,1,0,0,0,0|2,0,1]=4 99 B12R1.27 COC(=O)CCC1=CC=CC=C1 CNP0253198.0 [0,1,0,0,0,0|1,0,0]=2 100 B12R1.27 COC(=S)NCC1=CC=CC=C1 CNP0103481.0 [0,1,0,0,0,0|1,1,0]=3 101 B12R1.27 NCC(=O)OCC1=CC=CC=C1 CNP0003113.0 [0,1,0,0,0,0|0,0,0]=1 102 B12R1.27 NNC(=O)OCC1=CC=CC=C1 CNP0146630.0 [0,1,0,0,0,0|1,0,0]=2 103 B12R1.27 O=C(C=CC1=CC=CC=C1)OO CNP0086495.0 [0,1,0,0,0,0|2,0,1]=4 104 B12R1.27 O=C(NCl)OCC1=CC=CC=C1 CNP0069758.0 [0,1,0,0,0,0|1,0,0]=2 105 B12R1.43 CC(=CC1=CC=CC=C1)C(=O)O CNP0011910.0 [0,1,0,0,0,0|2,0,1]=4 106 B12R1.43 CC(=O)C(=CC1=CC=CC=C1)C CNP0379625.0 [0,1,0,0,0,0|1,0,1]=3 107 B12R1.43 CC(=O)C(=O)CC1=CC=CC=C1 CNP0588983.0 [0,1,0,0,0,0|1,0,0]=2 108 B12R1.43 CC(=O)C(=O)NC1=CC=CC=C1 CNP0033092.0 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.43 CC(=O)[C@H](O)CC1=CC=CC=C1 CNP0353502.1 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.43 CN(C)C(=O)CC1=CC=CC=C1 CNP0250069.0 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.43 CN(O)C(=O)CC1=CC=CC=C1 CNP0104612.0 [0,1,0,0,0,0|2,0,1]=4 112 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O CNP0456241.2 [0,1,0,0,0,0|2,0,0]=3 113 B12R1.43 C[C@@H](O)[C@H](O)CC1=CC=CC=C1 CNP0193877.1 [0,1,0,0,0,0|1,0,2]=4 114 B12R1.43 C[C@@H](OC1=CC=CC=C1)C(=O)O CNP0058094.2 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.43 C[C@H](CC1=CC=CC=C1)C(=O)O CNP0456241.1 [0,1,0,0,0,0|2,0,0]=3 116 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O CNP0587408.1 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.43 C[C@H](O)[C@@H](N)CC1=CC=CC=C1 CNP0596460.1 [0,1,0,0,0,0|1,0,2]=4 118 B12R1.43 C[C@H](O)[C@@H](O)CC1=CC=CC=C1 CNP0193877.2 [0,1,0,0,0,0|1,0,2]=4 119 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O CNP0058094.1 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.43 NC(=CC1=CC=CC=C1)C(=O)O CNP0502610.0 [0,1,0,0,0,0|2,0,1]=4 121 B12R1.43 NC(=O)C(=O)CC1=CC=CC=C1 CNP0113488.0 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0349122.1 [0,1,0,0,0,0|2,0,0]=3 123 B12R1.43 NC(=O)[C@H](O)CC1=CC=CC=C1 CNP0541348.1 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O CNP0193965.1 [0,1,0,0,0,0|2,0,0]=3 125 B12R1.43 N[C@@H](CC1=CC=CC=N1)C(=O)O CNP0184941.1 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O CNP0351562.2 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.43 N[C@@H](OC1=CC=CC=C1)C(=O)O CNP0333196.1 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O CNP0193965.2 [0,1,0,0,0,0|2,0,0]=3 129 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O CNP0351562.1 [0,1,0,0,0,0|3,0,0]=4 130 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)O CNP0271736.0 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.43 O=C(O)C(=CC1=CC=CC=C1)S CNP0539031.0 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 CNP0177093.0 [0,1,0,0,0,0|2,0,0]=3 133 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 CNP0213490.2 [0,1,0,0,0,0|2,0,0]=3 134 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 CNP0213490.1 [0,1,0,0,0,0|2,0,0]=3 135 B12R1.107 CC(=CC(=O)C1=CC=CC=C1)N CNP0032196.0 [0,1,0,0,0,0|2,0,1]=4 136 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CNP0326732.0 [0,1,0,0,0,0|1,0,1]=3 137 B12R1.107 CC(=O)C[C@@H](O)C1=CC=CC=N1 CNP0267055.1 [0,1,0,0,0,0|2,0,0]=3 138 B12R1.107 CC(=O)C[C@@H](O)C1=CC=NC=C1 CNP0073632.2 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.107 CC(=O)C[C@H](O)C1=CC=CC=N1 CNP0267055.2 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 CNP0062873.0 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.107 CC(=O)O[C@@H](C)C1=CC=CC=C1 CNP0214274.1 [0,1,0,0,0,0|0,0,0]=1 142 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CNP0003326.0 [0,1,0,0,0,0|1,0,2]=4 143 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CNP0028406.0 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.107 CN(C)C[C@@H](O)C1=CC=CC=C1 CNP0123139.1 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.107 CN(C)C[C@H](O)C1=CC=CC=C1 CNP0123139.2 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.107 NC(=S)C[C@H](O)C1=CC=CC=C1 CNP0125229.1 [0,1,0,0,0,0|2,1,0]=4 147 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.1 [0,1,0,0,0,0|2,0,0]=3 148 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.1 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 CNP0360184.2 [0,1,0,0,0,0|2,0,0]=3 150 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 CNP0149806.2 [0,1,0,0,0,0|3,0,0]=4 151 B12R1.107 O=C(O)C[C@@H](O)C1=CC=CC=C1 CNP0238020.1 [0,1,0,0,0,0|2,0,0]=3 152 B12R1.107 O=C(O)C[C@H](O)C1=CC=CC=C1 CNP0238020.2 [0,1,0,0,0,0|2,0,0]=3 153 B12R1.125 CC(=O)C=CC1=CC=CC=C1O CNP0537172.0 [0,1,0,0,0,0|1,0,1]=3 154 B12R1.125 CC(=O)CCC1=CC=CC=C1O CNP0273155.0 [0,1,0,0,0,0|1,0,0]=2 155 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0497682.0 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.125 CC(=O)CCC1=CC=CC=[N+]1C CNP0512452.0 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.125 CC(=O)NCC1=CN=CC=C1C CNP0202151.0 [0,1,0,0,0,0|2,0,0]=3 158 B12R1.125 CC(=O)OCC1=CC=CC=C1C CNP0024152.0 [0,1,0,0,0,0|0,0,0]=1 159 B12R1.125 CC(C)CCC1=CC=CC=C1O CNP0504507.0 [0,1,0,0,0,0|2,0,1]=4 160 B12R1.125 CC1=CC=CC=C1C=CC(=O)N CNP0278078.0 [0,1,0,0,0,0|2,0,1]=4 161 B12R1.125 CC1=CC=CC=C1C=CC(=O)O CNP0254758.0 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.125 NC(=O)CCC1=CC=CC=C1O CNP0509635.0 [0,1,0,0,0,0|2,0,0]=3 163 B12R1.125 NC1=CC=CC=C1C=CC(=O)O CNP0453465.0 [0,1,0,0,0,0|2,0,1]=4 164 B12R1.125 O=C(O)C=CC1=CC=CC=C1Cl CNP0576243.0 [0,1,0,0,0,0|2,0,1]=4 165 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [0,1,0,0,0,0|2,0,1]=4 166 B12R1.125 O=C(O)CCC1=CC=CC=C1O CNP0103376.0 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.125 O=C(O)COC1=CC=CC=C1Cl CNP0460590.0 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.226 CC(=O)OCC1=CC=CC(=C1)C CNP0002410.0 [0,1,0,0,0,0|0,0,0]=1 169 B12R1.226 N=C(N)NCC1=CC=CC(=C1)I CNP0461583.0 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.226 NC(=NCC1=CC=CC(=C1)I)N CNP0595788.0 [0,1,0,0,0,0|3,0,0]=4 171 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Br CNP0574767.0 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)Cl CNP0394142.0 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.226 O=C(O)C=CC1=CC=CC(=C1)O CNP0335428.0 [0,1,0,0,0,0|2,0,1]=4 174 B12R1.226 O=C(O)CCC1=CC=CC(=C1)O CNP0166101.0 [0,1,0,0,0,0|2,0,0]=3 175 B12R1.226 O=C(O)CNC1=CC=CC(=C1)O CNP0322304.0 [0,1,0,0,0,0|3,0,0]=4 176 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 CNP0003336.0 [0,1,0,0,0,0|1,0,2]=4 177 B12R1.891 CS(=O)(=O)NCC1=CC=CC=C1 CNP0042715.0 [0,1,0,0,0,0|2,0,0]=3 178 B12R1.891 C[N+](C)(C)CCC1=CC=CC=C1 CNP0055514.0 [0,1,0,0,0,0|3,0,0]=4 179 B10R0.4 C=CC=CC=CCCC(=O)C CNP0477041.0 [0,0,1,0,0,0|1,0,0]=2 180 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CNP0140727.0 [0,0,0,1,0,0|2,0,1]=4 181 B12R2.24 CC1=CC=C2C=CC=CC2=C1 CNP0213194.0 [0,0,0,1,0,0|2,0,1]=4 182 B12R2.24 CC1=CC=C2C=CC=CC2=N1 CNP0281354.0 [0,0,0,1,0,0|2,0,1]=4 183 B12R2.24 CC1=CN=C2C=CC=CC2=C1 CNP0281887.0 [0,0,0,1,0,0|3,0,0]=4 184 B12R2.24 CC1=CN=C2C=CC=CC2=N1 CNP0280946.0 [0,0,0,1,0,0|3,0,0]=4 185 B12R2.24 CN1CCC2=CC=CC=C2C1 CNP0123682.0 [0,0,0,1,0,0|3,0,0]=4 186 B12R2.24 O=C1C=CC2=CC=CC=C2C1 CNP0599990.0 [0,0,0,1,0,0|1,0,1]=3 187 B12R2.24 O=C1C=CC2=CC=CC=C2N1 CNP0583881.0 [0,0,0,1,0,0|2,0,1]=4 188 B12R2.24 O=C1C=CC2=CC=CC=C2O1 CNP0225025.0 [0,0,0,1,0,0|2,0,1]=4 189 B12R2.24 O=C1CC2=CC=CC=C2CO1 CNP0331991.0 [0,0,0,1,0,0|0,0,0]=1 190 B12R2.24 O=C1CCC2=CC=CC=C2C1 CNP0253800.0 [0,0,0,1,0,0|1,0,0]=2 191 B12R2.24 O=C1CCC2=CC=CC=C2N1 CNP0525413.0 [0,0,0,1,0,0|2,0,0]=3 192 B12R2.24 O=C1CCC2=CC=CC=C2O1 CNP0191146.0 [0,0,0,1,0,0|2,0,0]=3 193 B12R2.24 O=C1COC2=CC=CC=C2N1 CNP0343320.0 [0,0,0,1,0,0|3,0,0]=4 194 B12R2.24 O=C1COC2=CC=CC=C2O1 CNP0002476.0 [0,0,0,1,0,0|3,0,0]=4 195 B12R2.24 O=C1N=CC2=CC=CC=C2N1 CNP0169726.0 [0,0,0,1,0,0|2,0,1]=4 196 B12R2.24 [11CH3]C1=CC=C2C=CC=CC2=C1 CNP0527809.0 [0,0,0,1,0,0|2,0,1]=4 197 B12R2.3190 O=C(O)[C@@H]1CC2=CC=CC=C12 CNP0459478.1 [0,0,0,1,0,0|2,0,0]=3 198 B12R2.3190 O=C(O)[C@H]1CC2=CC=CC=C12 CNP0459478.2 [0,0,0,1,0,0|2,0,0]=3 199 B10R1.18 BrC(=CC1=CC=CC=C1)Br CNP0047298.0 [0,0,0,0,1,0|2,0,1]=4 200 B10R1.18 C=C(C)CC1=CC=CC=C1 CNP0299392.0 [0,0,0,0,1,0|1,0,0]=2 201 B10R1.18 CC(=CC1=CC=CC=C1)C CNP0601062.0 [0,0,0,0,1,0|1,0,1]=3 202 B10R1.18 CC(=NC1=CC=CC=C1)C CNP0232072.0 [0,0,0,0,1,0|2,0,0]=3 203 B10R1.18 CC(=O)CC1=CC=CC=C1 CNP0310853.0 [0,0,0,0,1,0|0,0,0]=1 204 B10R1.18 CC(=O)NC1=CC=CC=C1 CNP0299776.0 [0,0,0,0,1,0|1,0,0]=2 205 B10R1.18 CC(=O)OC1=CC=CC=C1 CNP0333279.0 [0,0,0,0,1,0|0,0,0]=1 206 B10R1.18 CC(=O)OC1=CC=CN=C1 CNP0212194.0 [0,0,0,0,1,0|1,0,0]=2 207 B10R1.18 CC(=O)OC1=CCC=CO1 CNP0436618.0 [0,0,0,0,1,0|1,0,1]=3 208 B10R1.18 CC(=S)NC1=CC=CC=C1 CNP0233377.0 [0,0,0,0,1,0|1,1,0]=3 209 B10R1.18 CC(C)CC1=CC=CC=C1 CNP0502805.0 [0,0,0,0,1,0|1,0,1]=3 210 B10R1.18 CC(C)CC1=CC=CC=N1 CNP0356963.0 [0,0,0,0,1,0|2,0,1]=4 211 B10R1.18 CC(C)CC1=CC=CN=C1 CNP0002829.0 [0,0,0,0,1,0|2,0,1]=4 212 B10R1.18 CC(C)NC1=CC=CC=C1 CNP0321657.0 [0,0,0,0,1,0|2,0,1]=4 213 B10R1.18 CN(C)CC1=CC=CC=C1 CNP0295823.0 [0,0,0,0,1,0|2,0,0]=3 214 B10R1.18 C[C@@H](N)CC1=CC=CC=C1 CNP0251508.3 [0,0,0,0,1,0|1,0,1]=3 215 B10R1.18 C[C@H](N)CC1=CC=CC=C1 CNP0251508.2 [0,0,0,0,1,0|1,0,1]=3 216 B10R1.18 C[S@+]([O-])CC1=CC=CC=C1 CNP0576184.1 [0,0,0,0,1,0|1,0,1]=3 217 B10R1.18 C[S@H+]([O-])CC1=CC=CC=C1 CNP0502824.1 [0,0,0,0,1,0|1,0,1]=3 218 B10R1.18 ClB(Cl)OC1=CC=CC=C1 CNP0308358.0 [0,0,0,0,1,0|3,0,0]=4 219 B10R1.18 N=C(N)CC1=CC=CC=C1 CNP0452177.0 [0,0,0,0,1,0|2,0,0]=3 220 B10R1.18 N=C(S)NC1=CC=CC=C1 CNP0521272.0 [0,0,0,0,1,0|2,1,0]=4 221 B10R1.18 NC(=O)CC1=CC=CC=C1 CNP0212090.0 [0,0,0,0,1,0|1,0,0]=2 222 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 CNP0486406.0 [0,0,0,0,1,0|2,0,0]=3 223 B10R1.18 NC(=O)NC1=CC=CC=C1 CNP0279748.0 [0,0,0,0,1,0|2,0,0]=3 224 B10R1.18 NC(=S)CC1=CC=CC=N1 CNP0060644.0 [0,0,0,0,1,0|2,1,0]=4 225 B10R1.18 NC(=S)NC1=CC=CC=C1 CNP0415622.0 [0,0,0,0,1,0|2,1,0]=4 226 B10R1.18 O=C(Br)CC1=CC=CC=C1 CNP0152845.0 [0,0,0,0,1,0|1,0,0]=2 227 B10R1.18 O=C(Cl)CC1=CC=CC=C1 CNP0283126.0 [0,0,0,0,1,0|1,0,0]=2 228 B10R1.18 O=C(O)CC1=CC=CC=C1 CNP0311203.0 [0,0,0,0,1,0|1,0,0]=2 229 B10R1.18 O=C(O)CC1=CC=CN=C1 CNP0105682.0 [0,0,0,0,1,0|2,0,0]=3 230 B10R1.18 [2H][13C](=O)CC1=CC=CC=C1 CNP0527841.0 [0,0,0,0,1,0|1,0,0]=2 231 B10R1.66 CC(=O)C=CC1=CC=CO1 CNP0253881.0 [0,0,0,0,1,0|2,0,1]=4 232 B10R1.66 CC(=O)OCC1=CC=CO1 CNP0413526.0 [0,0,0,0,1,0|1,0,0]=2 233 B10R1.66 CC(=O)SCC1=CC=CO1 CNP0018548.0 [0,0,0,0,1,0|1,1,0]=3 234 B12R1.252 CC(=CCCC1=CC=CC=C1)C CNP0046365.0 [0,0,0,0,0,1|2,0,0]=3 235 B12R1.252 CC(=O)C=NNC1=CC=CC=C1 CNP0071032.0 [0,0,0,0,0,1|2,0,0]=3 236 B12R1.252 CC(=O)NCCC1=CC=CC=C1 CNP0298057.0 [0,0,0,0,0,1|1,0,0]=2 237 B12R1.252 CC(=O)OCCC1=CC=CC=C1 CNP0195113.0 [0,0,0,0,0,1|0,0,0]=1 238 B12R1.252 NC(=O)CC=CC1=CC=CC=C1 CNP0073923.0 [0,0,0,0,0,1|2,0,1]=4 239 B12R1.252 NC(=O)NCCC1=CC=CC=C1 CNP0509449.0 [0,0,0,0,0,1|2,0,0]=3 240 B12R1.252 NC(=O)NN=CC1=CC=CC=C1 CNP0048901.0 [0,0,0,0,0,1|2,0,1]=4 241 B12R1.252 O=C(O)CC=CC1=CC=CC=C1 CNP0242436.0 [0,0,0,0,0,1|2,0,1]=4 242 B12R1.252 O=C(O)CCCC1=CC=CC=C1 CNP0152618.0 [0,0,0,0,0,1|2,0,0]=3 243 B12R1.252 O=C(O)CCCC1=CC=CN=C1 CNP0002375.0 [0,0,0,0,0,1|3,0,0]=4 244 B12R1.252 O=C(O)CCOC1=CC=CC=C1 CNP0002351.0 [0,0,0,0,0,1|2,0,0]=3 245 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CNP0438400.0 [0,0,0,0,0,1|1,1,0]=3 246 B9R0.2 CC=CC=CCCC(=O)C CNP0426415.0 [1,0,1,0,0,0|0,0,2]=4 247 B9R0.45 C=CC=CC=CCCCC CNP0611960.0 [1,0,1,0,0,0|1,0,1]=4 248 B9R1.8 C=CCC1=CC=CC=C1 CNP0286989.0 [2,0,0,0,0,0|0,0,1]=3 249 B9R1.8 C=COC1=CC=CC=C1 CNP0076291.0 [2,0,0,0,0,0|0,0,1]=3 250 B9R1.8 C=CSC1=CC=CC=C1 CNP0156506.0 [2,0,0,0,0,0|0,1,1]=4 251 B9R1.8 CC=CC1=CC=CC=C1 CNP0155788.0 [2,0,0,0,0,0|0,0,1]=3 252 B9R1.8 CC=CC1=CC=CN=C1 CNP0609915.0 [2,0,0,0,0,0|1,0,1]=4 253 B9R1.8 CCCC1=CC=CC=C1 CNP0279045.0 [2,0,0,0,0,0|0,0,1]=3 254 B9R1.8 CCCC1=CC=CC=N1 CNP0611670.0 [2,0,0,0,0,0|1,0,1]=4 255 B9R1.8 CCCC1=CC=CN=C1 CNP0003440.0 [2,0,0,0,0,0|1,0,1]=4 256 B9R1.8 CCCC1=CC=NC=C1 CNP0509766.0 [2,0,0,0,0,0|1,0,1]=4 257 B9R1.8 CCNC1=CC=CC=C1 CNP0144333.0 [2,0,0,0,0,0|1,0,1]=4 258 B9R1.8 CCOC1=CC=CC=C1 CNP0163447.0 [2,0,0,0,0,0|0,0,1]=3 259 B9R1.8 CCOC1=CC=CN=C1 CNP0263904.0 [2,0,0,0,0,0|1,0,1]=4 260 B9R1.8 CNCC1=CC=CC=C1 CNP0335341.0 [2,0,0,0,0,0|1,0,0]=3 261 B9R1.8 COCC1=CC=CC=C1 CNP0244920.0 [2,0,0,0,0,0|0,0,0]=2 262 B9R1.8 CSCC1=CC=CC=C1 CNP0188452.0 [2,0,0,0,0,0|0,1,0]=3 263 B9R1.8 CSSC1=CC=CC=C1 CNP0079617.0 [2,0,0,0,0,0|1,1,0]=4 264 B9R1.8 N#CCC1=CC=CC=C1 CNP0203807.0 [2,0,0,0,0,0|1,0,1]=4 265 B9R1.8 N#[14C]CC1=CC=CC=C1 CNP0479819.0 [2,0,0,0,0,0|1,0,1]=4 266 B9R1.8 NCCC1=CC=CC=C1 CNP0141127.0 [2,0,0,0,0,0|1,0,1]=4 267 B9R1.8 NNCC1=CC=CC=C1 CNP0458353.0 [2,0,0,0,0,0|2,0,0]=4 268 B9R1.8 O=CCC1=CC=CC=C1 CNP0175320.0 [2,0,0,0,0,0|0,0,0]=2 269 B9R1.8 O=CNC1=CC=CC=C1 CNP0081246.0 [2,0,0,0,0,0|1,0,0]=3 270 B9R1.8 O=COC1=CC=CC=C1 CNP0183668.0 [2,0,0,0,0,0|0,0,0]=2 271 B9R1.8 O=S=CC1=CC=CC=C1 CNP0330586.0 [2,0,0,0,0,0|0,1,1]=4 272 B9R1.8 OCCC1=CC=CC=C1 CNP0402269.0 [2,0,0,0,0,0|0,0,2]=4 273 B9R1.8 OSCC1=CC=CC=C1 CNP0050397.0 [2,0,0,0,0,0|0,1,1]=4 274 B9R1.8 SCCC1=CC=CC=C1 CNP0611698.0 [2,0,0,0,0,0|0,1,1]=4 275 B11R0.148 C=CCCCC=CCOC(=O)C CNP0076931.0 [0,1,1,0,0,0|0,0,2]=4 276 B11R0.148 CCC=CC=CCCOC(=O)C CNP0192292.0 [0,1,1,0,0,0|0,0,2]=4 277 B11R0.148 CCCC=CC=CCOC(=O)C CNP0312132.0 [0,1,1,0,0,0|0,0,2]=4 278 B11R1.1 C=CCCC1=CC=C(C=C1)O CNP0130268.0 [1,1,0,0,0,0|1,0,1]=4 279 B11R1.1 CC1=CC=C(C=C1)C=CC=O CNP0112831.0 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.1 CC=CCC1=CC=C(C=C1)O CNP0602903.0 [1,1,0,0,0,0|1,0,0]=3 281 B11R1.1 CCCCC1=CC=C(C=C1)N CNP0586525.0 [1,1,0,0,0,0|1,0,1]=4 282 B11R1.1 CCCCC1=CC=C(C=C1)O CNP0079985.0 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.1 CCOCC1=CC=C(C=C1)O CNP0267999.0 [1,1,0,0,0,0|0,0,1]=3 284 B11R1.1 CNCCC1=CC=C(C=C1)O CNP0279481.0 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.1 O=CC=CC1=CC=C(C=C1)O CNP0344624.0 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.1 O=CCCC1=CC=C(C=C1)O CNP0088339.0 [1,1,0,0,0,0|1,0,0]=3 287 B11R1.16 C=CC[C@@H](O)C1=CC=CC=C1 CNP0109551.2 [1,1,0,0,0,0|1,0,1]=4 288 B11R1.16 C=CC[C@H](O)C1=CC=CC=C1 CNP0109551.1 [1,1,0,0,0,0|1,0,1]=4 289 B11R1.16 C=COC(=O)C1=CC=CC=C1 CNP0083042.0 [1,1,0,0,0,0|0,0,2]=4 290 B11R1.16 CC(CC=O)C1=CC=CC=C1 CNP0079862.0 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.16 CC(OC=O)C1=CC=CC=C1 CNP0002788.0 [1,1,0,0,0,0|0,0,0]=2 292 B11R1.16 CCOC(=O)C1=CC=CC=C1 CNP0341969.0 [1,1,0,0,0,0|0,0,2]=4 293 B11R1.16 CCO[C@H](C)C1=CC=CC=C1 CNP0384490.1 [1,1,0,0,0,0|0,0,1]=3 294 B11R1.16 CN(NC=O)C1=CC=CC=C1 CNP0145841.0 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.16 CNC[C@@H](O)C1=CC=CC=C1 CNP0154385.1 [1,1,0,0,0,0|2,0,0]=4 296 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 CNP0154385.2 [1,1,0,0,0,0|2,0,0]=4 297 B11R1.16 O=CC=C(O)C1=CC=CC=C1 CNP0460454.0 [1,1,0,0,0,0|1,0,1]=4 298 B11R1.16 O=CNC(=O)C1=CC=CC=C1 CNP0535668.0 [1,1,0,0,0,0|1,0,1]=4 299 B11R1.17 CC1=CC=CC=C1COC=O CNP0058741.0 [1,1,0,0,0,0|0,0,0]=2 300 B11R1.17 CCCCC1=CC=CC=C1N CNP0540375.0 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.17 CCCCC1=CC=CC=C1O CNP0266584.0 [1,1,0,0,0,0|1,0,1]=4 302 B11R1.17 CCOCC1=CC=CC=C1O CNP0002484.0 [1,1,0,0,0,0|0,0,1]=3 303 B11R1.17 O=CC=CC1=CC=CC=C1O CNP0237654.0 [1,1,0,0,0,0|1,0,1]=4 304 B11R1.24 CCCCC1=CC=CC(=C1)O CNP0518462.0 [1,1,0,0,0,0|1,0,1]=4 305 B11R1.28 C=CC=CCC1=CC=CC=C1 CNP0601379.0 [1,1,0,0,0,0|1,0,1]=4 306 B11R1.28 C=CCOCC1=CC=CC=C1 CNP0575563.0 [1,1,0,0,0,0|0,0,1]=3 307 B11R1.28 CC=CCCC1=CC=CC=C1 CNP0591592.0 [1,1,0,0,0,0|1,0,0]=3 308 B11R1.28 CC=CCCC1=CC=CC=N1 CNP0080786.0 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.28 CCC=NNC1=CC=CC=C1 CNP0413398.0 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.28 CCCCCC1=CC=CC=C1 CNP0180656.0 [1,1,0,0,0,0|1,0,1]=4 311 B11R1.28 CCCCNC1=CC=CC=C1 CNP0128874.0 [1,1,0,0,0,0|1,0,1]=4 312 B11R1.28 CCCCOC1=CC=CC=C1 CNP0581047.0 [1,1,0,0,0,0|1,0,1]=4 313 B11R1.28 CCNCCC1=CC=CC=C1 CNP0355449.0 [1,1,0,0,0,0|1,0,1]=4 314 B11R1.28 CCOCCC1=CC=CC=C1 CNP0162532.0 [1,1,0,0,0,0|0,0,1]=3 315 B11R1.28 COCCOC1=CC=CC=C1 CNP0511350.0 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.28 NCCCCC1=CC=CC=C1 CNP0573837.0 [1,1,0,0,0,0|1,0,1]=4 317 B11R1.28 O=CC=CCC1=CC=CC=C1 CNP0157371.0 [1,1,0,0,0,0|1,0,0]=3 318 B11R1.28 O=COCCC1=CC=CC=C1 CNP0271229.0 [1,1,0,0,0,0|0,0,0]=2 319 B11R1.28 OCCCCC1=CC=CC=C1 CNP0531159.0 [1,1,0,0,0,0|1,0,1]=4 320 B11R1.28 ON=CCCC1=CC=CC=C1 CNP0251852.0 [1,1,0,0,0,0|1,0,1]=4 321 B11R1.28 S=CC=NCC1=CC=CC=C1 CNP0397095.0 [1,1,0,0,0,0|1,0,1]=4 322 B11R1.40 CC(=CC1=CC=CC=C1)C=O CNP0107200.0 [1,1,0,0,0,0|1,0,1]=4 323 B11R1.40 CCC(=O)CC1=CC=CC=C1 CNP0003461.0 [1,1,0,0,0,0|1,0,1]=4 324 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 CNP0515672.1 [1,1,0,0,0,0|1,0,1]=4 325 B11R1.40 CN(C=O)NC1=CC=CC=C1 CNP0115944.0 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.40 CNC(=O)CC1=CC=CC=C1 CNP0400808.0 [1,1,0,0,0,0|2,0,0]=4 327 B11R1.40 CN[C@@H](C)CC1=CC=CC=C1 CNP0351439.1 [1,1,0,0,0,0|2,0,0]=4 328 B11R1.40 CN[C@H](C)CC1=CC=CC=C1 CNP0351439.2 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.40 COC(=O)CC1=CC=CC=C1 CNP0328249.0 [1,1,0,0,0,0|2,0,0]=4 330 B11R1.40 C[C@@H](C=O)CC1=CC=CC=C1 CNP0101541.1 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0540734.1 [1,1,0,0,0,0|1,0,0]=3 332 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0545581.1 [1,1,0,0,0,0|1,0,0]=3 333 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0559492.0 [1,1,0,0,0,0|1,0,0]=3 334 B11R1.40 NC(C=O)CC1=CC=CC=C1 CNP0578552.0 [1,1,0,0,0,0|1,0,0]=3 335 B11R1.40 O=CC(=CC1=CC=CC=C1)Br CNP0581236.0 [1,1,0,0,0,0|1,0,1]=4 336 B11R1.20 C=C(C)CC1=CC=C(C=C1)O CNP0086005.0 [0,1,0,0,1,0|1,0,0]=3 337 B11R1.20 CC(=O)CC1=CC=C(C=C1)N CNP0296510.0 [0,1,0,0,1,0|0,0,0]=2 338 B11R1.20 CC(=O)CC1=CC=C(C=C1)O CNP0263134.0 [0,1,0,0,1,0|0,0,0]=2 339 B11R1.20 CC(=O)N=C1C=CC(=O)C=C1 CNP0609120.0 [0,1,0,0,1,0|1,0,0]=3 340 B11R1.20 CC(=O)NC1=CC=C(C=C1)Br CNP0177917.0 [0,1,0,0,1,0|1,0,0]=3 341 B11R1.20 CC(=O)NC1=CC=C(C=C1)Cl CNP0147054.0 [0,1,0,0,1,0|1,0,0]=3 342 B11R1.20 CC(=O)NC1=CC=C(C=N1)Cl CNP0056612.0 [0,1,0,0,1,0|2,0,0]=4 343 B11R1.20 CC(=O)OC1=CC=C(C=C1)Br CNP0033109.0 [0,1,0,0,1,0|0,0,0]=2 344 B11R1.20 CC(=O)OC1=CC=C(C=C1)C CNP0227103.0 [0,1,0,0,1,0|0,0,0]=2 345 B11R1.20 CC(=O)OC1=CC=C(C=C1)O CNP0172781.0 [0,1,0,0,1,0|0,0,0]=2 346 B11R1.20 CC(C)CC1=CC=C(C=C1)O CNP0163738.0 [0,1,0,0,1,0|1,0,1]=4 347 B11R1.20 CC(N)CC1=CC=C(C=C1)I CNP0499686.0 [0,1,0,0,1,0|1,0,1]=4 348 B11R1.20 CC1=CC=C(C=C1)CC(C)C CNP0003406.0 [0,1,0,0,1,0|1,0,1]=4 349 B11R1.20 CC1=CC=C(C=C1)CC(C)N CNP0079876.0 [0,1,0,0,1,0|1,0,1]=4 350 B11R1.20 C[C@H](N)CC1=CC=C(C=C1)O CNP0196254.1 [0,1,0,0,1,0|1,0,1]=4 351 B11R1.20 NC(=O)CC1=CC=C(C=C1)O CNP0490937.0 [0,1,0,0,1,0|1,0,0]=3 352 B11R1.20 NC(=O)NC1=CC=C(C=C1)Cl CNP0310141.0 [0,1,0,0,1,0|2,0,0]=4 353 B11R1.20 NC(=O)NC1=CC=C(C=C1)O CNP0160153.0 [0,1,0,0,1,0|2,0,0]=4 354 B11R1.20 NC1=CC=C(C=C1)CC(=O)O CNP0379454.0 [0,1,0,0,1,0|1,0,0]=3 355 B11R1.20 O=C(O)CC1=CC=C(C=C1)Br CNP0211748.0 [0,1,0,0,1,0|1,0,0]=3 356 B11R1.20 O=C(O)CC1=CC=C(C=C1)O CNP0212603.0 [0,1,0,0,1,0|1,0,0]=3 357 B11R1.20 O=C(O)NC1=CC=C(C=C1)Cl CNP0172129.0 [0,1,0,0,1,0|2,0,0]=4 358 B11R1.20 O=C([O-])CC1=CC=C(C=C1)O CNP0582582.0 [0,1,0,0,1,0|1,0,0]=3 359 B11R1.20 O=C1C=CC(C=C1)CC(=O)O CNP0605531.0 [0,1,0,0,1,0|1,0,1]=4 360 B11R1.36 C=C(C)[C@@H](O)C1=CC=CC=C1 CNP0098533.1 [0,1,0,0,1,0|1,0,0]=3 361 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 CNP0302092.0 [0,1,0,0,1,0|0,0,1]=3 362 B11R1.36 CC(C)[C@@H](C)C1=CC=CC=C1 CNP0042832.2 [0,1,0,0,1,0|1,0,1]=4 363 B11R1.36 CC(C)[C@H](C)C1=CC=CC=C1 CNP0042832.1 [0,1,0,0,1,0|1,0,1]=4 364 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 CNP0224074.1 [0,1,0,0,1,0|1,0,0]=3 365 B11R1.36 C[C@@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.2 [0,1,0,0,1,0|1,0,1]=4 366 B11R1.36 C[C@@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.4 [0,1,0,0,1,0|1,0,1]=4 367 B11R1.36 C[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.3 [0,1,0,0,1,0|0,0,2]=4 368 B11R1.36 C[C@@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.2 [0,1,0,0,1,0|0,0,2]=4 369 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 CNP0224074.2 [0,1,0,0,1,0|1,0,0]=3 370 B11R1.36 C[C@H](N)C(O)[14C]1=[14CH][14CH]=[14CH][14CH]=[14CH]1 CNP0148528.5 [0,1,0,0,1,0|1,0,1]=4 371 B11R1.36 C[C@H](N)[C@@H](O)C1=CC=CC=C1 CNP0148528.1 [0,1,0,0,1,0|1,0,1]=4 372 B11R1.36 C[C@H](N)[C@H](O)C1=CC=CC=C1 CNP0148528.3 [0,1,0,0,1,0|1,0,1]=4 373 B11R1.36 C[C@H](O)[C@@H](O)C1=CC=CC=C1 CNP0294274.1 [0,1,0,0,1,0|0,0,2]=4 374 B11R1.36 C[C@H](O)[C@H](O)C1=CC=CC=C1 CNP0294274.4 [0,1,0,0,1,0|0,0,2]=4 375 B11R1.36 NC(=O)C(=O)C1=CC=CC=C1 CNP0359777.0 [0,1,0,0,1,0|1,0,1]=4 376 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 CNP0218836.2 [0,1,0,0,1,0|1,0,0]=3 377 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CNP0218836.1 [0,1,0,0,1,0|1,0,0]=3 378 B11R1.36 NC(=O)[C@H](O)C1=CC=CC=C1 CNP0213891.1 [0,1,0,0,1,0|1,0,0]=3 379 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 CNP0137107.2 [0,1,0,0,1,0|1,0,0]=3 380 B11R1.36 N[C@@H](C(=O)O)C1=CC=CN=C1 CNP0515087.2 [0,1,0,0,1,0|2,0,0]=4 381 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 CNP0137107.1 [0,1,0,0,1,0|1,0,0]=3 382 B11R1.36 N[C@H](C(=O)O)C1=CC=CN=C1 CNP0515087.1 [0,1,0,0,1,0|2,0,0]=4 383 B11R1.36 O=C(Cl)C(=O)C1=CC=CC=C1 CNP0193068.0 [0,1,0,0,1,0|1,0,1]=4 384 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 CNP0256089.0 [0,1,0,0,1,0|1,0,1]=4 385 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 CNP0248394.1 [0,1,0,0,1,0|1,0,0]=3 386 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 CNP0248394.2 [0,1,0,0,1,0|1,0,0]=3 387 B11R1.86 CC(=O)C[N+]1=CC=CC=C1Br CNP0514161.0 [0,1,0,0,1,0|1,0,0]=3 388 B11R1.86 CC(=O)C[N+]1=CC=CC=C1N CNP0557788.0 [0,1,0,0,1,0|1,0,0]=3 389 B11R1.86 CC(=O)NC1=CC=CC=C1Br CNP0084593.0 [0,1,0,0,1,0|1,0,0]=3 390 B11R1.86 CC(=O)NC1=CC=CC=C1C CNP0605871.0 [0,1,0,0,1,0|1,0,0]=3 391 B11R1.86 CC(=O)NC1=CC=CC=C1Cl CNP0106127.0 [0,1,0,0,1,0|1,0,0]=3 392 B11R1.86 CC(=O)NC1=CC=CC=C1O CNP0144383.0 [0,1,0,0,1,0|1,0,0]=3 393 B11R1.86 CC(=O)OC1=CC=CC=C1Br CNP0018236.0 [0,1,0,0,1,0|0,0,0]=2 394 B11R1.86 CC(=O)OC1=CC=CC=C1C CNP0420473.0 [0,1,0,0,1,0|0,0,0]=2 395 B11R1.86 CC(=O)OC1=COC=CC1=O CNP0156706.0 [0,1,0,0,1,0|1,0,0]=3 396 B11R1.86 CC(C)CC1=CC=CC=C1O CNP0325135.0 [0,1,0,0,1,0|1,0,1]=4 397 B11R1.86 CC(C)OC1=CC=CC=C1O CNP0590959.0 [0,1,0,0,1,0|1,0,1]=4 398 B11R1.86 NC(=O)NC1=CC=CC=C1N CNP0330070.0 [0,1,0,0,1,0|2,0,0]=4 399 B11R1.86 NC1=CC=CC=C1CC(=O)O CNP0248219.0 [0,1,0,0,1,0|1,0,0]=3 400 B11R1.86 O=C(O)CC1=CC=CC=C1O CNP0298923.0 [0,1,0,0,1,0|1,0,0]=3 401 B11R1.86 O=C(O)CC1=COC=CC1=O CNP0138896.0 [0,1,0,0,1,0|2,0,0]=4 402 B11R1.157 CC(=O)NC1=CC=CC(=C1)C CNP0569514.0 [0,1,0,0,1,0|1,0,0]=3 403 B11R1.157 CC(=O)NC1=CC=CC(=C1)Cl CNP0192017.0 [0,1,0,0,1,0|1,0,0]=3 404 B11R1.157 CC(=O)NC1=CC=CC(=C1)N CNP0368887.0 [0,1,0,0,1,0|1,0,0]=3 405 B11R1.157 CC(=O)NC1=CC=CC(=C1)O CNP0605398.0 [0,1,0,0,1,0|1,0,0]=3 406 B11R1.157 CC(=O)NC1=CC=CC(=N1)C CNP0225853.0 [0,1,0,0,1,0|2,0,0]=4 407 B11R1.157 CC(=O)OC1=CC=CC(=C1)C CNP0423566.0 [0,1,0,0,1,0|0,0,0]=2 408 B11R1.157 CC(=O)OC1=CC=CC(=C1)O CNP0341697.0 [0,1,0,0,1,0|0,0,0]=2 409 B11R1.157 CC1=CC=CC(=C1)CC(=O)O CNP0296551.0 [0,1,0,0,1,0|1,0,0]=3 410 B11R1.157 O=C(O)CC1=CC=CC(=C1)O CNP0342864.0 [0,1,0,0,1,0|1,0,0]=3 411 B11R1.509 CC(C)(N)CC1=CC=CC=C1 CNP0239645.0 [0,1,0,0,1,0|1,0,1]=4 412 B11R1.509 CC(C)(O)CC1=CC=CC=C1 CNP0255843.0 [0,1,0,0,1,0|0,0,2]=4 413 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 CNP0309905.0 [0,1,0,0,1,0|1,0,0]=3 414 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0563874.0 [0,1,0,0,1,0|2,0,0]=4 415 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 CNP0596726.0 [0,1,0,0,1,0|2,0,0]=4 416 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 CNP0083459.0 [0,1,0,0,1,0|2,0,0]=4 417 B11R1.509 O=S(=O)(O)CC1=CC=CC=C1 CNP0529775.0 [0,1,0,0,1,0|2,0,0]=4 418 B11R1.509 O=S(=O)(O)OC1=CC=CC=C1 CNP0567034.0 [0,1,0,0,1,0|2,0,0]=4 419 B11R1.25 CCC(=O)CCC1=CC=CO1 CNP0542215.0 [0,1,0,0,1,0|2,0,0]=4 420 B11R1.25 CCC(=O)OCC1=CC=CO1 CNP0002784.0 [0,1,0,0,1,0|1,0,0]=3 421 B11R1.25 CCC(=O)SCC1=CC=CO1 CNP0002780.0 [0,1,0,0,1,0|1,1,0]=4 422 B11R1.75 CC(=O)OC[C@@H]1C=CC(=O)O1 CNP0406900.1 [0,1,0,0,1,0|1,0,1]=4 423 B13R1.45 C=C(COC(=O)C)C1=CC=CC=C1 CNP0111069.0 [0,1,0,0,0,1|0,0,0]=2 424 B13R1.45 CC(=O)NCC(=O)C1=CC=CC=C1 CNP0232667.0 [0,1,0,0,0,1|1,0,0]=3 425 B13R1.45 CC(=O)NCC(O)C1=CC=CC=C1 CNP0575044.0 [0,1,0,0,0,1|1,0,0]=3 426 B13R1.45 CC(=O)OC=C(C)C1=CC=CC=C1 CNP0052211.0 [0,1,0,0,0,1|0,0,1]=3 427 B13R1.45 C[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0372042.1 [0,1,0,0,0,1|2,0,0]=4 428 B13R1.45 N[C@@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.2 [0,1,0,0,0,1|2,0,0]=4 429 B13R1.45 N[C@H](CCC(=O)O)C1=CC=CC=C1 CNP0361310.1 [0,1,0,0,0,1|2,0,0]=4 430 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CNP0453495.0 [0,1,0,0,0,1|2,0,0]=4 431 B13R1.45 O=C(O)CC[C@@H](O)C1=CC=CC=C1 CNP0303655.1 [0,1,0,0,0,1|2,0,0]=4 432 B13R1.45 O=C(O)CC[C@H](O)C1=CC=CC=C1 CNP0303655.2 [0,1,0,0,0,1|2,0,0]=4 433 B13R1.149 CC(=O)CCCC1=CC=CC(=O)O1 CNP0288902.0 [0,1,0,0,0,1|2,0,0]=4 434 B13R1.149 CC(=O)OCCC1=CC=CC(=C1)O CNP0581912.0 [0,1,0,0,0,1|0,0,0]=2 435 B13R1.158 CC(=O)NCCC1=CC=CC=C1O CNP0308942.0 [0,1,0,0,0,1|1,0,0]=3 436 B13R1.158 O=C(O)CCCC1=CC=CC=C1O CNP0277650.0 [0,1,0,0,0,1|2,0,0]=4 437 B13R1.348 CC(=O)C=C(C)NC1=CC=CC=C1 CNP0070664.0 [0,1,0,0,0,1|1,0,1]=4 438 B13R1.348 CC(=O)CC(=CC1=CC=CC=C1)C CNP0258512.0 [0,1,0,0,0,1|1,0,1]=4 439 B13R1.348 CC(=O)CC(=NC1=CC=CC=C1)C CNP0377921.0 [0,1,0,0,0,1|1,0,1]=4 440 B13R1.348 CC(=O)C[C@H](O)CC1=CC=CC=C1 CNP0264298.1 [0,1,0,0,0,1|1,0,0]=3 441 B13R1.348 CC(=O)N[C@@H](C)CC1=CC=CC=C1 CNP0071012.2 [0,1,0,0,0,1|1,0,0]=3 442 B13R1.348 CC(=O)N[C@H](C)CC1=CC=CC=C1 CNP0071012.1 [0,1,0,0,0,1|1,0,0]=3 443 B13R1.348 CC(C)OC(=O)CC1=CC=CC=C1 CNP0282252.0 [0,1,0,0,0,1|1,0,1]=4 444 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 CNP0191800.0 [0,1,0,0,0,1|2,0,0]=4 445 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CNP0238803.0 [0,1,0,0,0,1|2,0,0]=4 446 B13R1.351 CC(=O)C(=CNC1=CC=CC=C1)C CNP0106967.0 [0,1,0,0,0,1|1,0,1]=4 447 B13R1.351 CC(=O)[C@@H](N)CCC1=CC=CC=C1 CNP0565249.1 [0,1,0,0,0,1|1,0,0]=3 448 B13R1.351 CC(C)C(=O)OCC1=CC=CC=C1 CNP0039876.0 [0,1,0,0,0,1|1,0,1]=4 449 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.1 [0,1,0,0,0,1|2,0,0]=4 450 B13R1.351 N[C@@H](CSC1=CC=CC=C1)C(=O)O CNP0294633.1 [0,1,0,0,0,1|2,0,0]=4 451 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O CNP0082825.2 [0,1,0,0,0,1|2,0,0]=4 452 B13R1.351 O=C(O)[C@@H](O)COC1=CC=CC=C1 CNP0287022.1 [0,1,0,0,0,1|2,0,0]=4 453 B13R1.513 CC(=CCOC1=CC=C(C=C1)O)C CNP0265943.0 [0,1,0,0,0,1|2,0,0]=4 454 B13R1.513 CC(=O)C=CNC1=CC=C(C=C1)Br CNP0465673.0 [0,1,0,0,0,1|1,0,1]=4 455 B13R1.513 CC(=O)CC=CC1=CC=C(C=C1)O CNP0480900.0 [0,1,0,0,0,1|1,0,1]=4 456 B13R1.513 CC(=O)CCOC1=CC=C(C=C1)O CNP0081116.0 [0,1,0,0,0,1|1,0,0]=3 457 B13R1.513 CC(=O)NCCC1=CC=C(C=C1)O CNP0309556.0 [0,1,0,0,0,1|1,0,0]=3 458 B13R1.513 CC(=O)OCCC1=CC=C(C=C1)O CNP0363419.0 [0,1,0,0,0,1|0,0,0]=2 459 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 CNP0122784.0 [0,1,0,0,0,1|1,0,0]=3 460 B13R1.718 CCC(=O)OCCC1=CC=CC=C1 CNP0080166.0 [0,1,0,0,0,1|0,0,0]=2 461 B13R1.718 COC(=O)C=CNC1=CC=CC=C1 CNP0065304.0 [0,1,0,0,0,1|1,0,1]=4 462 B13R1.718 COC(=O)CC=CC1=CC=CC=C1 CNP0207145.0 [0,1,0,0,0,1|1,0,1]=4 463 B13R1.718 COC(=O)CCCC1=CC=CC=C1 CNP0068339.0 [0,1,0,0,0,1|1,0,0]=3 464 B13R1.718 COC(=O)CNCC1=CC=CC=C1 CNP0175539.0 [0,1,0,0,0,1|1,0,0]=3 465 B13R1.3523 O=P(Cl)(Cl)NOCC1=CC=CC=C1 CNP0032886.0 [0,1,0,0,0,1|2,0,0]=4 466 B13R1.3 C=CC1=CC=C(C=C1)COC(=O)C CNP0018344.0 [0,2,0,0,0,0|0,0,0]=2 467 B13R1.3 CC(=O)CCC1=CC=C(C=C1)ON CNP0361857.0 [0,2,0,0,0,0|1,0,0]=3 468 B13R1.3 CC(=O)COC1=CC=C(C=C1)CN CNP0384005.0 [0,2,0,0,0,0|2,0,0]=4 469 B13R1.3 CCC1=CC=C(C=C1)CCC(=O)O CNP0457495.0 [0,2,0,0,0,0|2,0,0]=4 470 B13R1.3 CCC1=CC=C(C=C1)COC(=O)C CNP0564625.0 [0,2,0,0,0,0|0,0,0]=2 471 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)C CNP0085604.0 [0,2,0,0,0,0|1,0,1]=4 472 B13R1.3 COC1=CC=C(C=C1)CCC(=O)C CNP0123166.0 [0,2,0,0,0,0|1,0,0]=3 473 B13R1.3 COC1=CC=C(C=C1)CCC(=O)N CNP0592087.0 [0,2,0,0,0,0|2,0,0]=4 474 B13R1.3 COC1=CC=C(C=C1)CCC(=O)O CNP0156617.0 [0,2,0,0,0,0|2,0,0]=4 475 B13R1.3 COC1=CC=C(C=C1)CNC(=O)C CNP0514444.0 [0,2,0,0,0,0|1,0,0]=3 476 B13R1.3 COC1=CC=C(C=C1)COC(=O)C CNP0232581.0 [0,2,0,0,0,0|0,0,0]=2 477 B13R1.14 CCC(=O)NNC1=CC=C(C=C1)Br CNP0033506.0 [0,2,0,0,0,0|2,0,0]=4 478 B13R1.14 CN(C=O)CCC1=CC=C(C=C1)O CNP0198499.0 [0,2,0,0,0,0|2,0,0]=4 479 B13R1.14 CNC(=O)CCC1=CC=C(C=C1)O CNP0073787.0 [0,2,0,0,0,0|1,0,0]=3 480 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Br CNP0066263.0 [0,2,0,0,0,0|1,0,1]=4 481 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)C CNP0331308.0 [0,2,0,0,0,0|1,0,1]=4 482 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)O CNP0173530.0 [0,2,0,0,0,0|1,0,1]=4 483 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O CNP0208741.0 [0,2,0,0,0,0|1,0,0]=3 484 B13R1.132 CC(=O)C[C@@H](C)C1=CC=C(C=C1)C CNP0287444.2 [0,2,0,0,0,0|1,0,0]=3 485 B13R1.132 CC(=O)C[C@H](C)C1=CC=C(C=C1)C CNP0287444.1 [0,2,0,0,0,0|1,0,0]=3 486 B13R1.132 CC(=O)N[C@@H](C)C1=CC=C(N=C1)C CNP0191708.1 [0,2,0,0,0,0|2,0,0]=4 487 B13R1.132 CC1=CC=C(C=C1)C(N)CC(=O)O CNP0350054.0 [0,2,0,0,0,0|2,0,0]=4 488 B13R1.132 CC1=CC=C(C=C1)[C@@H](C)CC(=O)O CNP0075903.1 [0,2,0,0,0,0|2,0,0]=4 489 B13R1.132 CC1=CC=C(C=C1)[C@H](C)CC(=O)O CNP0075903.2 [0,2,0,0,0,0|2,0,0]=4 490 B13R1.132 C[C@@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.2 [0,2,0,0,0,0|2,0,0]=4 491 B13R1.132 C[C@H](CC(=O)O)C1=CC=C(C=C1)O CNP0365207.1 [0,2,0,0,0,0|2,0,0]=4 492 B13R1.132 NC(CC(=O)O)C1=CC=C(C=C1)O CNP0013657.0 [0,2,0,0,0,0|2,0,0]=4 493 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)Br CNP0058879.0 [0,2,0,0,0,0|2,0,0]=4 494 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)C CNP0188373.0 [0,2,0,0,0,0|2,0,0]=4 495 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)Cl CNP0065177.0 [0,2,0,0,0,0|2,0,0]=4 496 B13R1.133 CC(=O)C(=O)NC1=CC=C(C=C1)I CNP0050257.0 [0,2,0,0,0,0|2,0,0]=4 497 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)Br CNP0032596.0 [0,2,0,0,0,0|2,0,0]=4 498 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)C CNP0407432.0 [0,2,0,0,0,0|2,0,0]=4 499 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)Cl CNP0046230.0 [0,2,0,0,0,0|2,0,0]=4 500 B13R1.133 CC(=O)C(=S)NC1=CC=C(C=C1)I CNP0058183.0 [0,2,0,0,0,0|2,0,0]=4 501 B13R1.133 CC(=O)C(O)CC1=CC=C(C=C1)O CNP0103595.0 [0,2,0,0,0,0|1,0,0]=3 502 B13R1.133 CC(=O)[C@@H](O)CC1=CC=C(C=C1)O CNP0103595.1 [0,2,0,0,0,0|1,0,0]=3 503 B13R1.133 CC1=CC=C(C=C1)CC(=O)C(=O)O CNP0582979.0 [0,2,0,0,0,0|2,0,0]=4 504 B13R1.133 N=C(CC1=CC=C(C=C1)O)C(=O)O CNP0435695.0 [0,2,0,0,0,0|2,0,0]=4 505 B13R1.133 NC(=O)[C@@H](N)CC1=CC=C(C=C1)O CNP0021095.1 [0,2,0,0,0,0|2,0,0]=4 506 B13R1.133 NC1=CC=C(C=C1)C[C@@H](N)C(=O)O CNP0187252.1 [0,2,0,0,0,0|2,0,0]=4 507 B13R1.133 NC1=CC=C(C=C1)C[C@H](N)C(=O)O CNP0187252.2 [0,2,0,0,0,0|2,0,0]=4 508 B13R1.133 NN(CC1=CC=C(C=C1)O)C(=O)O CNP0565576.0 [0,2,0,0,0,0|2,0,0]=4 509 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.1 [0,2,0,0,0,0|2,0,0]=4 510 B13R1.133 N[C@@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.2 [0,2,0,0,0,0|2,0,0]=4 511 B13R1.133 N[C@@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.1 [0,2,0,0,0,0|2,0,0]=4 512 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.1 [0,2,0,0,0,0|2,0,0]=4 513 B13R1.133 N[C@H](CC1=CC=C(C=C1)Br)C(=O)O CNP0133258.2 [0,2,0,0,0,0|2,0,0]=4 514 B13R1.133 N[C@H](CC1=CC=C(C=C1)Cl)C(=O)O CNP0293334.1 [0,2,0,0,0,0|2,0,0]=4 515 B13R1.133 N[C@H](CC1=CC=C(C=C1)I)C(=O)O CNP0601134.2 [0,2,0,0,0,0|2,0,0]=4 516 B13R1.133 N[C@H](CC1=CC=C(C=C1)O)C(=O)O CNP0116237.2 [0,2,0,0,0,0|2,0,0]=4 517 B13R1.133 O=C(O)C(=O)CC1=CC=C(C=C1)O CNP0412003.0 [0,2,0,0,0,0|2,0,0]=4 518 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(C=C1)O CNP0177541.1 [0,2,0,0,0,0|2,0,0]=4 519 B13R1.133 O=C(O)[C@@H](S)CC1=CC=C(C=C1)I CNP0587186.1 [0,2,0,0,0,0|2,0,0]=4 520 B13R1.133 O=C(O)[C@H](O)CC1=CC=C(C=C1)O CNP0177541.2 [0,2,0,0,0,0|2,0,0]=4 521 B13R1.164 CC(=CCC1=CC=C(C=C1O)O)C CNP0130850.0 [0,2,0,0,0,0|2,0,0]=4 522 B13R1.164 CC1=CC(=CC=C1CCC(=O)O)O CNP0075798.0 [0,2,0,0,0,0|2,0,0]=4 523 B13R1.164 O=C(O)CCC1=CC=C(C=C1O)O CNP0154079.0 [0,2,0,0,0,0|2,0,0]=4 524 B13R1.511 C=C1C=C(OC=C1O)COC(=O)C CNP0533206.0 [0,2,0,0,0,0|1,0,0]=3 525 B13R1.511 CC(=O)C=CC1=CC=C(C(=C1)O)O CNP0261862.0 [0,2,0,0,0,0|1,0,1]=4 526 B13R1.511 CC(=O)CCC1=CC=C(C(=C1)O)O CNP0175802.0 [0,2,0,0,0,0|1,0,0]=3 527 B13R1.511 CC(=O)OCC1=CC(=O)C(=CO1)O CNP0215641.0 [0,2,0,0,0,0|1,0,0]=3 528 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)Cl)O CNP0565501.0 [0,2,0,0,0,0|2,0,0]=4 529 B13R1.511 O=C(O)CCC1=CC=C(C(=C1)O)O CNP0265756.0 [0,2,0,0,0,0|2,0,0]=4 530 B13R1.11 CCC(=O)NN(C)C1=CC=CC=C1 CNP0040741.0 [0,2,0,0,0,0|2,0,0]=4 531 B13R1.11 CCC(=O)O[C@H](C)C1=CC=CC=C1 CNP0247095.1 [0,2,0,0,0,0|0,0,0]=2 532 B13R1.11 COC(=O)C[C@@H](C)C1=CC=CC=C1 CNP0391081.2 [0,2,0,0,0,0|1,0,0]=3 533 B13R1.11 COC(=O)C[C@@H](N)C1=CC=CC=C1 CNP0474335.1 [0,2,0,0,0,0|1,0,0]=3 534 B13R1.11 COC(=O)C[C@@H](O)C1=CC=CC=C1 CNP0209133.2 [0,2,0,0,0,0|1,0,0]=3 535 B13R1.11 COC(=O)C[C@H](C)C1=CC=CC=C1 CNP0391081.1 [0,2,0,0,0,0|1,0,0]=3 536 B13R1.11 COC(=O)C[C@H](N)C1=CC=CC=C1 CNP0474335.2 [0,2,0,0,0,0|1,0,0]=3 537 B13R1.11 COC(=O)C[C@H](O)C1=CC=CC=C1 CNP0209133.1 [0,2,0,0,0,0|1,0,0]=3 538 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)Cl CNP0033800.0 [0,2,0,0,0,0|1,0,1]=4 539 B13R1.15 COC(=O)C=CC1=CC=CC(=C1)O CNP0082062.0 [0,2,0,0,0,0|1,0,1]=4 540 B13R1.42 CC#CC(=O)C=CC1=CC=CC=C1 CNP0236750.0 [0,2,0,0,0,0|1,0,1]=4 541 B13R1.42 CC(CC=O)CCC1=CC=CC=C1 CNP0507165.0 [0,2,0,0,0,0|1,0,1]=4 542 B13R1.42 CC=CC(=O)NNC1=CC=CC=C1 CNP0058334.0 [0,2,0,0,0,0|2,0,0]=4 543 B13R1.42 CC=CC(=O)OCC1=CC=CC=C1 CNP0605482.0 [0,2,0,0,0,0|0,0,0]=2 544 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 CNP0589106.0 [0,2,0,0,0,0|1,0,0]=3 545 B13R1.42 CCCC(=O)NNC1=CC=CC=C1 CNP0167245.0 [0,2,0,0,0,0|2,0,0]=4 546 B13R1.42 CCCC(=O)OCC1=CC=CC=C1 CNP0362696.0 [0,2,0,0,0,0|0,0,0]=2 547 B13R1.42 CCOC(=NCC1=CC=CC=C1)S CNP0609481.0 [0,2,0,0,0,0|1,1,0]=4 548 B13R1.42 CCOC(=O)C=CC1=CC=CC=C1 CNP0238965.0 [0,2,0,0,0,0|1,0,1]=4 549 B13R1.42 CCOC(=O)CCC1=CC=CC=C1 CNP0131457.0 [0,2,0,0,0,0|1,0,0]=3 550 B13R1.42 CCOC(=S)NCC1=CC=CC=C1 CNP0330895.0 [0,2,0,0,0,0|1,1,0]=4 551 B13R1.42 O=C(C=CO)CCC1=CC=CC=C1 CNP0049810.0 [0,2,0,0,0,0|1,0,1]=4 552 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 CNP0062686.0 [0,2,0,0,0,0|1,0,0]=3 553 B13R1.42 O=C(CCO)CCC1=CC=CC=C1 CNP0150058.0 [0,2,0,0,0,0|1,0,0]=3 554 B13R1.135 CCC(=O)[C@H](O)CC1=CC=CC=C1 CNP0117427.1 [0,2,0,0,0,0|1,0,0]=3 555 B13R1.135 COC(=O)C(=CC1=CC=CC=C1)N CNP0597874.0 [0,2,0,0,0,0|1,0,1]=4 556 B13R1.135 COC(=O)C(=O)CC1=CC=CC=C1 CNP0210071.0 [0,2,0,0,0,0|1,0,0]=3 557 B13R1.135 COC(=O)[C@@H](C)NC1=CC=CC=C1 CNP0588654.2 [0,2,0,0,0,0|2,0,0]=4 558 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 CNP0261581.3 [0,2,0,0,0,0|1,0,0]=3 559 B13R1.135 COC(=O)[C@@H](N)OC1=CC=CC=C1 CNP0170775.1 [0,2,0,0,0,0|2,0,0]=4 560 B13R1.135 COC(=O)[C@@H](O)CC1=CC=CC=C1 CNP0387243.1 [0,2,0,0,0,0|1,0,0]=3 561 B13R1.135 COC(=O)[C@H](C)NC1=CC=CC=C1 CNP0588654.1 [0,2,0,0,0,0|2,0,0]=4 562 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 CNP0261581.2 [0,2,0,0,0,0|1,0,0]=3 563 B13R1.135 COC(=O)[C@H](O)CC1=CC=CC=C1 CNP0387243.2 [0,2,0,0,0,0|1,0,0]=3 564 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)CCl CNP0508331.1 [0,2,0,0,0,0|1,0,0]=3 565 B13R1.135 N[C@@H](CC1=CC=CC=C1)C(=O)NI CNP0171534.1 [0,2,0,0,0,0|2,0,0]=4 566 B13R1.417 CN=C(NC)NCC1=CC=CC=C1 CNP0598029.0 [0,2,0,0,0,0|2,0,0]=4 567 B13R1.528 COC(=O)C=CC1=CC=CC=C1O CNP0476201.0 [0,2,0,0,0,0|1,0,1]=4 568 B13R1.148 CC1=CC=CC(=C1)C[C@H](N)C(=O)O CNP0530805.1 [0,2,0,0,0,0|2,0,0]=4 569 B13R1.148 C[C@@H](CC1=CC=CC(=C1)O)C(=O)O CNP0356280.1 [0,2,0,0,0,0|2,0,0]=4 570 B13R1.148 N[C@@H](CC1=CC=CC(=C1)O)C(=O)O CNP0201266.1 [0,2,0,0,0,0|2,0,0]=4 571 B13R1.148 O=C(O)C(=O)CC1=CC=CC(=C1)O CNP0150167.0 [0,2,0,0,0,0|2,0,0]=4 572 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](N)C(=O)O CNP0350308.4 [0,2,0,0,0,0|2,0,0]=4 573 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0463734.1 [0,2,0,0,0,0|2,0,0]=4 574 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O CNP0350308.2 [0,2,0,0,0,0|2,0,0]=4 575 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](O)C(=O)O CNP0463734.3 [0,2,0,0,0,0|2,0,0]=4 576 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](N)C(=O)O CNP0350308.3 [0,2,0,0,0,0|2,0,0]=4 577 B13R1.152 C[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0463734.4 [0,2,0,0,0,0|2,0,0]=4 578 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O CNP0350308.1 [0,2,0,0,0,0|2,0,0]=4 579 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O CNP0463734.2 [0,2,0,0,0,0|2,0,0]=4 580 B13R1.152 N[C@@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 CNP0361341.4 [0,2,0,0,0,0|2,0,0]=4 581 B13R1.152 N[C@@H](C(=O)O)[C@H](O)C1=CC=CC=C1 CNP0361341.2 [0,2,0,0,0,0|2,0,0]=4 582 B13R1.152 N[C@H](C(=O)O)C(O)C1=CC=CC=C1 CNP0361341.1 [0,2,0,0,0,0|2,0,0]=4 583 B13R1.152 N[C@H](C(=O)O)[C@@H](O)C1=CC=CC=C1 CNP0361341.3 [0,2,0,0,0,0|2,0,0]=4 584 B13R1.152 N[C@H](C(=O)O)[C@H](O)C1=CC=CC=C1 CNP0361341.5 [0,2,0,0,0,0|2,0,0]=4 585 B13R1.152 N[C@H](C1=CC=CC=C1)[C@@H](O)C(=O)O CNP0214237.1 [0,2,0,0,0,0|2,0,0]=4 586 B13R1.152 O=C(O)C(=O)C(O)C1=CC=CC=C1 CNP0056799.0 [0,2,0,0,0,0|2,0,0]=4 587 B13R1.152 O=C(O)[C@@H](Br)[C@@H](Br)C1=CC=CC=C1 CNP0445487.3 [0,2,0,0,0,0|2,0,0]=4 588 B13R1.152 O=C(O)[C@@H](Br)[C@H](Br)C1=CC=CC=C1 CNP0445487.4 [0,2,0,0,0,0|2,0,0]=4 589 B13R1.152 O=C(O)[C@@H](O)[C@@H](O)C1=CC=CC=C1 CNP0234856.1 [0,2,0,0,0,0|2,0,0]=4 590 B13R1.152 O=C(O)[C@H](Br)[C@@H](Br)C1=CC=CC=C1 CNP0445487.1 [0,2,0,0,0,0|2,0,0]=4 591 B13R1.152 O=C(O)[C@H](Br)[C@H](Br)C1=CC=CC=C1 CNP0445487.2 [0,2,0,0,0,0|2,0,0]=4 592 B13R1.202 C[C@H](CC1=CC=CC=C1O)C(=O)O CNP0488255.1 [0,2,0,0,0,0|2,0,0]=4 593 B13R1.202 N[C@@H](CC1=CC=CC=C1O)C(=O)O CNP0300752.2 [0,2,0,0,0,0|2,0,0]=4 594 B13R1.202 N[C@H](CC1=CC=CC=C1O)C(=O)O CNP0300752.1 [0,2,0,0,0,0|2,0,0]=4 595 B13R1.202 O=C(O)C(=O)CC1=CC=CC=C1O CNP0164162.0 [0,2,0,0,0,0|2,0,0]=4 596 B13R1.202 O=C(O)[C@@H](O)CC1=CC=CC=C1O CNP0312598.1 [0,2,0,0,0,0|2,0,0]=4 597 B13R1.418 CC(=O)C(=CN)CC1=CC=CC=C1 CNP0043268.0 [0,2,0,0,0,0|1,0,0]=3 598 B13R1.418 CC(=O)[C@@H](C=O)CC1=CC=CC=C1 CNP0392217.1 [0,2,0,0,0,0|1,0,0]=3 599 B13R1.418 CC(=O)[C@H](C=O)CC1=CC=CC=C1 CNP0392217.2 [0,2,0,0,0,0|1,0,0]=3 600 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(=O)O CNP0187424.1 [0,2,0,0,0,0|2,0,0]=4 601 B13R1.418 CN[C@H](CC1=CC=CC=C1)C(=O)O CNP0187424.2 [0,2,0,0,0,0|2,0,0]=4 602 B13R1.418 CO[C@@H](CC1=CC=CC=C1)C(=O)O CNP0243391.2 [0,2,0,0,0,0|2,0,0]=4 603 B13R1.418 CO[C@H](CC1=CC=CC=C1)C(=O)O CNP0243391.1 [0,2,0,0,0,0|2,0,0]=4 604 B13R1.418 NC(=O)C(=NO)CC1=CC=CC=C1 CNP0186138.0 [0,2,0,0,0,0|2,0,0]=4 605 B13R1.418 O=C(O)C(=NO)CC1=CC=CC=C1 CNP0272865.0 [0,2,0,0,0,0|2,0,0]=4 606 B13R1.418 O=C(O)[C@@H](CC1=CC=CC=C1)NO CNP0288777.1 [0,2,0,0,0,0|2,0,0]=4 607 B13R1.418 O=C(O)[C@@H](CS)CC1=CC=CC=C1 CNP0581897.1 [0,2,0,0,0,0|2,0,0]=4 608 B13R1.418 O=C(O)[C@H](CC1=CC=CC=C1)NO CNP0288777.2 [0,2,0,0,0,0|2,0,0]=4 609 B13R1.418 O=C(O)[C@H](CI)CC1=CC=CC=C1 CNP0546564.1 [0,2,0,0,0,0|2,0,0]=4 610 B13R1.1073 C[C@@](N)(CC1=CC=CC=C1)C(=O)O CNP0049229.2 [0,2,0,0,0,0|2,0,0]=4 611 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O CNP0049229.1 [0,2,0,0,0,0|2,0,0]=4 612 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(=C1)Br CNP0396883.1 [0,2,0,0,0,0|2,0,0]=4 613 B13R1.147 N[C@H](CC(=O)O)C1=CC=CC(=C1)Br CNP0396883.2 [0,2,0,0,0,0|2,0,0]=4 614 B13R1.147 O=C(O)CC(O)C1=CC=CC(=C1)O CNP0083903.0 [0,2,0,0,0,0|2,0,0]=4 615 B13R1.201 CC1=CC=CC=C1[C@@H](O)CC(=O)N CNP0328857.1 [0,2,0,0,0,0|2,0,0]=4 616 B13R1.347 CC(=O)NS(=O)(=O)C1=CC=CC=C1 CNP0070980.0 [0,2,0,0,0,0|2,0,0]=4 617 B13R1.713 CC(=O)N[C@@H](C#N)C1=CC=CC=C1 CNP0041616.2 [0,2,0,0,0,0|1,0,0]=3 618 B13R1.713 CC(=O)N[C@H](C#N)C1=CC=CC=C1 CNP0041616.1 [0,2,0,0,0,0|1,0,0]=3 619 B13R1.713 CC(=O)O[C@@H](C#N)C1=CC=CC=C1 CNP0168985.1 [0,2,0,0,0,0|0,0,0]=2 620 B13R1.713 CC(=O)O[C@@H](CO)C1=CC=CC=C1 CNP0137534.1 [0,2,0,0,0,0|0,0,0]=2 621 B13R1.713 CCC(OC(=O)C)C1=CC=CC=C1 CNP0611641.0 [0,2,0,0,0,0|0,0,0]=2 622 B13R1.713 CC[C@@H](NC(=O)C)C1=CC=CC=C1 CNP0144225.2 [0,2,0,0,0,0|1,0,0]=3 623 B13R1.713 CC[C@H](NC(=O)C)C1=CC=CC=C1 CNP0144225.1 [0,2,0,0,0,0|1,0,0]=3 624 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 CNP0530045.0 [0,2,0,0,0,0|2,0,0]=4 625 B13R1.90 COC1=CC=CC=C1CCC(=O)N CNP0602368.0 [0,2,0,0,0,0|2,0,0]=4 626 B13R1.90 COC1=CC=CC=C1CCC(=O)O CNP0307963.0 [0,2,0,0,0,0|2,0,0]=4 627 B13R1.893 CC(=CCC1=CC(=CC=C1O)O)C CNP0110617.0 [0,2,0,0,0,0|2,0,0]=4 628 B13R1.893 CC(=CCC1=CC(=O)C=CC1=O)C CNP0193408.0 [0,2,0,0,0,0|2,0,0]=4 629 B13R1.893 CC(=O)OCC1=CC(=O)OC=C1O CNP0156057.0 [0,2,0,0,0,0|1,0,0]=3 630 B13R1.643 CC(=N)NCC1=CC=CC(=C1)CN CNP0327302.0 [0,2,0,0,0,0|2,0,0]=4 631 B13R1.643 CC(=NCC1=CC=CC(=C1)CN)N CNP0610088.0 [0,2,0,0,0,0|2,0,0]=4 632 B13R1.643 COC1=CC=CC(=C1)CCC(=O)O CNP0181921.0 [0,2,0,0,0,0|2,0,0]=4 633 B13R1.3420 O=C(O)CCC1=CC(=CC(=C1)O)O CNP0301577.0 [0,2,0,0,0,0|2,0,0]=4 634 B11R2.1 CC1=CCC2=CC=CC=C12 CNP0299127.0 [1,0,0,1,0,0|1,0,0]=3 635 B11R2.1 CC1=CNC2=CC=CC=C12 CNP0217136.0 [1,0,0,1,0,0|2,0,0]=4 636 B11R2.1 CC1=CSC2=CC=CC=C12 CNP0239254.0 [1,0,0,1,0,0|2,0,0]=4 637 B11R2.1 C[C@H]1CCC2=CC=CC=C12 CNP0102551.1 [1,0,0,1,0,0|1,0,1]=4 638 B11R2.1 NC1=NCC2=CC=CC=C12 CNP0457408.0 [1,0,0,1,0,0|2,0,0]=4 639 B11R2.1 NC1=[NH+]CC2=CC=CC=C12 CNP0601327.0 [1,0,0,1,0,0|2,0,0]=4 640 B11R2.1 O=C1C=NC2=CC=CC=C12 CNP0168876.0 [1,0,0,1,0,0|2,0,0]=4 641 B11R2.1 O=C1CCC2=CC=CC=C12 CNP0170369.0 [1,0,0,1,0,0|1,0,0]=3 642 B11R2.1 O=C1CNC2=CC=CC=C12 CNP0017986.0 [1,0,0,1,0,0|2,0,0]=4 643 B11R2.1 O=C1COC2=CC=CC=C12 CNP0489658.0 [1,0,0,1,0,0|2,0,0]=4 644 B11R2.1 O=C1N=CC2=CC=CC=C12 CNP0231360.0 [1,0,0,1,0,0|1,0,1]=4 645 B11R2.1 O=C1NCC2=CC=CC=C12 CNP0611634.0 [1,0,0,1,0,0|1,0,0]=3 646 B11R2.1 O=C1NSC2=CC=CC=C12 CNP0071078.0 [1,0,0,1,0,0|2,0,0]=4 647 B11R2.1 O=C1OCC2=CC=CC=C12 CNP0263138.0 [1,0,0,1,0,0|0,0,0]=2 648 B11R2.1 OC1=NCC2=CC=CC=C12 CNP0522338.0 [1,0,0,1,0,0|1,0,1]=4 649 B11R2.20 C1=CC2=CC=CC=C2CC1 CNP0077119.0 [1,0,0,1,0,0|1,0,1]=4 650 B11R2.20 C1=CC2=CC=CC=C2CN1 CNP0424699.0 [1,0,0,1,0,0|1,0,1]=4 651 B11R2.20 C1=CC=C2CCCCC2=C1 CNP0326274.0 [1,0,0,1,0,0|1,0,1]=4 652 B11R2.20 C1=CC=C2CNCCC2=C1 CNP0371971.0 [1,0,0,1,0,0|1,0,1]=4 653 B11R2.20 C1=CC=C2OCOCC2=C1 CNP0488245.0 [1,0,0,1,0,0|0,0,2]=4 654 B11R2.988 C=C[C@@H]1CC2=CC=CC=C12 CNP0030371.1 [1,0,0,1,0,0|1,0,1]=4 655 B11R2.988 C=C[C@H]1CC2=CC=CC=C12 CNP0030371.2 [1,0,0,1,0,0|1,0,1]=4 656 B11R2.10 CC1=CC2=CC=CC=C2N1 CNP0223946.0 [0,0,0,1,1,0|1,0,1]=4 657 B11R2.10 CC1=CC2=CC=CC=C2O1 CNP0333088.0 [0,0,0,1,1,0|1,0,0]=3 658 B11R2.10 CC1=CC2=CC=CC=C2S1 CNP0195624.0 [0,0,0,1,1,0|0,1,1]=4 659 B11R2.10 CC1=NC2=CC=CC=C2O1 CNP0419573.0 [0,0,0,1,1,0|1,0,0]=3 660 B11R2.10 CC1=NC2=CC=CC=C2S1 CNP0308312.0 [0,0,0,1,1,0|1,1,0]=4 661 B11R2.10 C[C@@H]1CC2=CC=CC=C2N1 CNP0247446.2 [0,0,0,1,1,0|1,0,1]=4 662 B11R2.10 C[C@H]1CC2=CC=CC=C2N1 CNP0247446.1 [0,0,0,1,1,0|1,0,1]=4 663 B11R2.10 O=C1C=C2C=CC=CC2=N1 CNP0594715.0 [0,0,0,1,1,0|1,0,1]=4 664 B11R2.10 O=C1C=C2C=COC=C2O1 CNP0541223.0 [0,0,0,1,1,0|1,0,1]=4 665 B11R2.10 O=C1C=C2CC=CC=C2O1 CNP0610824.0 [0,0,0,1,1,0|0,0,2]=4 666 B11R2.10 O=C1CC2=CC=CC=C2N1 CNP0161017.0 [0,0,0,1,1,0|1,0,0]=3 667 B11R2.10 O=C1CC2=CC=CC=C2O1 CNP0562926.0 [0,0,0,1,1,0|0,0,0]=2 668 B11R2.10 O=C1NC2=CC=CC=C2O1 CNP0175268.0 [0,0,0,1,1,0|1,0,0]=3 669 B11R2.10 O=C1NC2=CC=CC=C2S1 CNP0569879.0 [0,0,0,1,1,0|1,1,0]=4 670 B11R2.10 OC1=NC2=CC=CC=C2C1 CNP0587736.0 [0,0,0,1,1,0|1,0,1]=4 671 B11R2.10 OC1=NC2=CC=CC=C2O1 CNP0479137.0 [0,0,0,1,1,0|1,0,1]=4 672 B11R2.59 CC1(CC2=CC=CC=C12)C CNP0056719.0 [0,0,0,1,1,0|1,0,1]=4 673 B11R2.59 C[C@@]1(CC2=CC=CC=C12)O CNP0029617.2 [0,0,0,1,1,0|0,0,2]=4 674 B11R2.59 C[C@]1(CC2=CC=CC=C12)O CNP0029617.1 [0,0,0,1,1,0|0,0,2]=4 675 B13R2.10 CC1=NN(CC1)C2=CC=CC=C2 CNP0058604.0 [0,0,0,1,0,1|2,0,0]=4 676 B13R2.10 CC1COC(O1)C2=CC=CC=C2 CNP0291344.0 [0,0,0,1,0,1|0,0,2]=4 677 B13R2.10 O=C1C=C(CO1)C2=CC=CC=C2 CNP0352665.0 [0,0,0,1,0,1|0,0,1]=3 678 B13R2.10 O=C1NC[C@@H](O1)C2=CC=CC=C2 CNP0207381.1 [0,0,0,1,0,1|2,0,0]=4 679 B13R2.10 O=C1NC[C@H](O1)C2=CC=CC=C2 CNP0207381.2 [0,0,0,1,0,1|2,0,0]=4 680 B13R2.31 O=C1C[C@H](N1)SC2=CC=CC=C2 CNP0064455.1 [0,0,0,1,0,1|1,0,0]=3 681 B13R2.72 CC(=O)C1=CNC2=CC=CC=C12 CNP0402989.0 [0,0,0,1,0,1|1,0,1]=4 682 B13R2.72 CC(=O)N1C=CC2=CC=CC=C12 CNP0113091.0 [0,0,0,1,0,1|1,0,1]=4 683 B13R2.72 CC(=O)N1N=NC2=CC=CC=C12 CNP0041582.0 [0,0,0,1,0,1|2,0,0]=4 684 B13R2.72 O=C(O)C1=C2C=CC=CC2=NC1 CNP0439159.0 [0,0,0,1,0,1|2,0,0]=4 685 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.4 [0,0,0,1,0,1|2,0,0]=4 686 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.1 [0,0,0,1,0,1|2,0,0]=4 687 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 CNP0306656.3 [0,0,0,1,0,1|2,0,0]=4 688 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 CNP0306656.2 [0,0,0,1,0,1|2,0,0]=4 689 B13R2.5881 CC(=O)C=C1CC2=CC=CC=C12 CNP0132730.0 [0,0,0,1,0,1|1,0,0]=3 690 B13R2.5881 CC(=O)N[C@@H]1CC2=CC=CC=C12 CNP0067507.2 [0,0,0,1,0,1|1,0,0]=3 691 B13R2.5881 CC(=O)N[C@H]1CC2=CC=CC=C12 CNP0067507.1 [0,0,0,1,0,1|1,0,0]=3 692 B13R2.5881 CC(=O)O[C@@H]1CC2=CC=CC=C12 CNP0044409.1 [0,0,0,1,0,1|0,0,0]=2 693 B13R2.5881 CC(=O)O[C@H]1CC2=CC=CC=C12 CNP0044409.2 [0,0,0,1,0,1|0,0,0]=2 694 B13R2.155 O=C1CCC2=CC=C(C=C2O1)O CNP0221407.0 [0,1,0,1,0,0|2,0,0]=4 695 B13R2.32 CC1=COC2=CC=CC=C2C1=O CNP0287052.0 [0,1,0,1,0,0|2,0,0]=4 696 B13R2.32 CN1C(=O)C=CC2=CC=CC=C12 CNP0123557.0 [0,1,0,1,0,0|1,0,1]=4 697 B13R2.33 O=C1CCC2=CC=CC=C2CC1 CNP0327972.0 [0,1,0,1,0,0|1,0,0]=3 698 B13R2.33 O=C1CCC2=CC=CC=C2OC1 CNP0162308.0 [0,1,0,1,0,0|1,0,0]=3 699 B13R2.435 CC(=O)C1=CC2=CC=CC=C2C1 CNP0049314.0 [0,1,0,1,0,0|1,0,0]=3 700 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 CNP0524572.0 [0,1,0,1,0,0|1,0,1]=4 701 B13R2.435 O=C(O)[C@@H]1CC2=CC=CC=C2N1 CNP0087377.1 [0,1,0,1,0,0|2,0,0]=4 702 B13R2.5517 C[C@@]1(CC2=CC=CC=C12)C(=O)O CNP0476499.2 [0,1,0,1,0,0|2,0,0]=4 703 B13R2.5517 C[C@]1(CC2=CC=CC=C12)C(=O)O CNP0476499.1 [0,1,0,1,0,0|2,0,0]=4 704 B13R2.328 CC1=CC2=CC=CC=C2C(=O)O1 CNP0424914.0 [0,1,0,1,0,0|1,0,1]=4 705 B13R2.328 CC1=NC2=CC=CC=C2C(=O)O1 CNP0418101.0 [0,1,0,1,0,0|1,0,1]=4 706 B13R2.328 C[C@@H]1NC(=O)CC2=CC=NC=C12 CNP0192183.1 [0,1,0,1,0,0|2,0,0]=4 707 B13R2.328 O=C1CC2=CC=CC=C2C(=O)N1 CNP0028027.0 [0,1,0,1,0,0|1,0,1]=4 708 B13R2.328 O=C1CC2=CC=CC=C2C(=O)O1 CNP0265654.0 [0,1,0,1,0,0|0,0,1]=3 709 B13R2.328 O=C1CC2=CC=CC=C2C(=S)N1 CNP0149436.0 [0,1,0,1,0,0|1,0,1]=4 710 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 CNP0468495.0 [0,1,0,1,0,0|1,0,1]=4 711 B13R2.5179 C[C@@H]1CC2=CC=CC(=C2CO1)O CNP0283182.1 [0,1,0,1,0,0|1,0,1]=4 712 B13R2.5179 C[C@H]1CC2=CC=CC(=C2CO1)O CNP0283182.2 [0,1,0,1,0,0|1,0,1]=4 713 B13R2.162 O=C1CCC2=CC=CC(=C2N1)O CNP0075698.0 [0,1,0,1,0,0|2,0,0]=4 714 B13R2.3683 CC1=CC=C2CC(=O)CCC2=C1 CNP0271833.0 [0,1,0,1,0,0|1,0,0]=3 715 B13R2.3683 CC1=CC=C2SC(=O)CCC2=C1 CNP0223788.0 [0,1,0,1,0,0|2,0,0]=4 716 B13R2.3683 C[C@@H]1OCC2=CC(=CC=C2O1)O CNP0320828.1 [0,1,0,1,0,0|0,0,2]=4 717 B13R2.3683 O=C1C=C2CCC(=O)CC2=CC1 CNP0541100.0 [0,1,0,1,0,0|1,0,1]=4 718 B13R2.3683 O=C1CCC2=CC(=CC=C2N1)O CNP0247732.0 [0,1,0,1,0,0|2,0,0]=4 719 B9R1.12 CCOCC1=CC=CO1 CNP0002487.0 [1,0,0,0,1,0|1,0,1]=4 720 B9R1.12 O=CNCC1=CC=CO1 CNP0029329.0 [1,0,0,0,1,0|2,0,0]=4 721 B9R1.12 O=COCC1=CC=CO1 CNP0574943.0 [1,0,0,0,1,0|1,0,0]=3 722 B9R1.12 O=CSCC1=CC=CO1 CNP0002781.0 [1,0,0,0,1,0|1,1,0]=4 723 B9R1.6 C=C(C)C1=CC=CC=C1 CNP0080169.0 [0,0,0,0,2,0|1,0,0]=3 724 B9R1.6 C=C(C)C1=CC=NC=C1 CNP0553968.0 [0,0,0,0,2,0|2,0,0]=4 725 B9R1.6 CC(=O)C1=CC=CC=C1 CNP0296349.0 [0,0,0,0,2,0|0,0,0]=2 726 B9R1.6 CC(=O)C1=CC=CC=N1 CNP0224376.0 [0,0,0,0,2,0|1,0,0]=3 727 B9R1.6 CC(=O)C1=CC=CN=C1 CNP0239193.0 [0,0,0,0,2,0|1,0,0]=3 728 B9R1.6 CC(=O)C1=CC=NC=C1 CNP0611691.0 [0,0,0,0,2,0|1,0,0]=3 729 B9R1.6 CC(=O)C1=CN=CC=N1 CNP0114026.0 [0,0,0,0,2,0|2,0,0]=4 730 B9R1.6 CC(C)C1=CC=CC=C1 CNP0123409.0 [0,0,0,0,2,0|1,0,1]=4 731 B9R1.6 CN(C)C1=CC=CC=C1 CNP0137867.0 [0,0,0,0,2,0|2,0,0]=4 732 B9R1.6 C[C@@H](N)C1=CC=CC=C1 CNP0079805.1 [0,0,0,0,2,0|1,0,1]=4 733 B9R1.6 C[C@@H](O)C1=CC=CC=C1 CNP0207239.2 [0,0,0,0,2,0|0,0,2]=4 734 B9R1.6 C[C@H](N)C1=CC=CC=C1 CNP0079805.2 [0,0,0,0,2,0|1,0,1]=4 735 B9R1.6 C[C@H](O)C1=CC=CC=C1 CNP0207239.1 [0,0,0,0,2,0|0,0,2]=4 736 B9R1.6 C[S@@+]([O-])C1=CC=CC=C1 CNP0081847.1 [0,0,0,0,2,0|1,0,1]=4 737 B9R1.6 N=C(N)C1=CC=CC=C1 CNP0158884.0 [0,0,0,0,2,0|2,0,0]=4 738 B9R1.6 NC(=O)C1=CC=CC=C1 CNP0225623.0 [0,0,0,0,2,0|1,0,0]=3 739 B9R1.6 NC(=O)C1=CC=CC=N1 CNP0108671.0 [0,0,0,0,2,0|2,0,0]=4 740 B9R1.6 NC(=O)C1=CC=CN=C1 CNP0150794.0 [0,0,0,0,2,0|2,0,0]=4 741 B9R1.6 NC(=O)C1=CC=NC=C1 CNP0029893.0 [0,0,0,0,2,0|2,0,0]=4 742 B9R1.6 O=C(Cl)C1=CC=CC=N1 CNP0286385.0 [0,0,0,0,2,0|2,0,0]=4 743 B9R1.6 O=C(Cl)C1=CC=CN=C1 CNP0165890.0 [0,0,0,0,2,0|2,0,0]=4 744 B9R1.6 O=C(Cl)C1=CC=NC=C1 CNP0030473.0 [0,0,0,0,2,0|2,0,0]=4 745 B9R1.6 O=C(O)C1=CC=CC=C1 CNP0136227.0 [0,0,0,0,2,0|1,0,0]=3 746 B9R1.6 O=C(O)C1=CC=CC=N1 CNP0288286.0 [0,0,0,0,2,0|2,0,0]=4 747 B9R1.6 O=C(O)C1=CC=CN=C1 CNP0319168.0 [0,0,0,0,2,0|2,0,0]=4 748 B9R1.6 O=C(O)C1=CC=NC=C1 CNP0196648.0 [0,0,0,0,2,0|2,0,0]=4 749 B9R1.6 O=C(S)C1=CC=CC=C1 CNP0611694.0 [0,0,0,0,2,0|1,0,0]=3 750 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0496576.0 [0,0,0,0,2,0|1,0,0]=3 751 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0511525.0 [0,0,0,0,2,0|1,0,0]=3 752 B9R1.6 O=C([O-])C1=CC=CC=C1 CNP0577403.0 [0,0,0,0,2,0|1,0,0]=3 753 B9R1.6 O=C([O-])C1=CC=CC=N1 CNP0520974.0 [0,0,0,0,2,0|2,0,0]=4 754 B9R1.6 O=C([O-])C1=CC=CN=C1 CNP0546767.0 [0,0,0,0,2,0|2,0,0]=4 755 B9R1.6 O=[14C](O)C1=CC=CN=C1 CNP0495425.0 [0,0,0,0,2,0|2,0,0]=4 756 B9R1.6 O=[N+]([O-])C1=CC=CC=C1 CNP0515942.0 [0,0,0,0,2,0|2,0,0]=4 757 B9R1.6 O=[S@@](O)C1=CC=CC=C1 CNP0216430.1 [0,0,0,0,2,0|2,0,0]=4 758 B9R1.6 O=[S@](O)C1=CC=CC=C1 CNP0216430.2 [0,0,0,0,2,0|2,0,0]=4 759 B9R1.6 O=[SH](O)C1=CC=CC=C1 CNP0547392.0 [0,0,0,0,2,0|2,0,0]=4 760 B9R1.13 CC(=O)CC1=CC=CO1 CNP0006332.0 [0,0,0,0,2,0|1,0,0]=3 761 B9R1.13 CC(=O)OC1=CC=CO1 CNP0343204.0 [0,0,0,0,2,0|1,0,0]=3 762 B9R1.13 CC(=O)OC1=CNN=C1 CNP0168778.0 [0,0,0,0,2,0|2,0,0]=4 763 B9R1.13 O=C(O)CC1=CC=CS1 CNP0036225.0 [0,0,0,0,2,0|2,0,0]=4 764 B9R1.13 O=C(O)CC1=CSC=C1 CNP0525463.0 [0,0,0,0,2,0|2,0,0]=4 765 B13R1.337 CC(=O)C=CC=CC1=CC=CC=C1 CNP0296768.0 [0,0,0,0,0,2|1,0,1]=4 766 B13R1.337 CC(=O)C=CCCC1=CC=CC=C1 CNP0172070.0 [0,0,0,0,0,2|1,0,0]=3 767 B13R1.337 CC(=O)C=CNCC1=CC=CC=C1 CNP0417107.0 [0,0,0,0,0,2|1,0,0]=3 768 B13R1.337 CC(=O)OCC=CC1=CC=CC=C1 CNP0207222.0 [0,0,0,0,0,2|0,0,0]=2 769 B13R1.337 CC(=O)OCCCC1=CC=CC=C1 CNP0266306.0 [0,0,0,0,0,2|0,0,0]=2 770 B13R1.337 NC(=O)OCCCC1=CC=CC=C1 CNP0301747.0 [0,0,0,0,0,2|1,0,0]=3 771 B13R1.337 O=C(O)CC=CCC1=CC=CC=C1 CNP0286082.0 [0,0,0,0,0,2|2,0,0]=4 772 B13R1.337 O=C(O)CCC=CC1=CC=CC=C1 CNP0594952.0 [0,0,0,0,0,2|2,0,0]=4 773 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 CNP0097941.0 [0,0,0,0,0,2|2,0,0]=4