0 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)C CNP0254908.0 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.56 C=C(C)C1=CC=C(C(=C1)OC)O CNP0208361.0 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.56 CC(=O)C1=CC=C(C(=C1)C=O)O CNP0387842.0 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.56 CCC1=CC(=CC=C1O)C(=O)O CNP0121187.0 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.56 COC1=CC(=CC=C1C)C(=O)C CNP0017950.0 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.56 COC1=CC(=CC=C1C)C(=O)O CNP0497367.0 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.56 COC1=CC(=CC=C1C)C(C)C CNP0163527.0 [0,0,0,0,0,0|3,0,1]=4 7 B12R1.56 COC1=CC(=CC=C1N)C(=O)O CNP0018066.0 [0,0,0,0,0,0|1,0,0]=1 8 B12R1.56 COC1=CC(=CC=C1O)C(=O)C CNP0219031.0 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.56 COC1=CC(=CC=C1O)C(=O)N CNP0200127.0 [0,0,0,0,0,0|1,0,0]=1 10 B12R1.56 COC1=CC(=CC=C1O)C(=O)O CNP0122021.0 [0,0,0,0,0,0|0,0,0]=0 11 B12R1.56 COC1=CC(=CC=C1O)C(=O)[O-] CNP0564199.0 [0,0,0,0,0,0|0,0,1]=1 12 B12R1.56 COC1=CC(=CC=C1O)C(C)O CNP0582143.0 [0,0,0,0,0,0|1,0,1]=2 13 B12R1.56 COC1=CC(=CC=C1[O-])C(=O)O CNP0511962.0 [0,0,0,0,0,0|0,0,1]=1 14 B12R1.56 NC(=O)C1=CC=C(C(=C1)N=O)O CNP0314124.0 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.56 O=NC1=CC(=CC=C1O)C(=O)O CNP0511255.0 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.56 O=NC1=CC(=CC=C1[O-])C(=O)[O-] CNP0591454.0 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.21 C=C(C)C1=CC=C(C(=C1)O)C CNP0410462.0 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)C CNP0091143.0 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.21 CC(=O)C1=CC=C(C(=C1)C)O CNP0484144.0 [1,0,0,0,0,0|1,0,0]=2 20 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)C CNP0155281.0 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.21 CC(=O)C1=CC=C(C(=C1)O)O CNP0310121.0 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.21 CC1=CC(=CC=C1Cl)[N+](=O)[O-] CNP0588810.0 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.21 CC1=CC(=CC=C1N)[N+](=O)[O-] CNP0580915.0 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.21 CC1=CC(=CC=C1O)C(=O)O CNP0305353.0 [1,0,0,0,0,0|0,0,0]=1 25 B11R1.21 CC1=CC(=CC=C1O)C(C)C CNP0364356.0 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.21 CC1=CC=C(C=C1C)C(=O)N CNP0387935.0 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.21 CC1=CC=C(C=C1C)C(=O)O CNP0109169.0 [1,0,0,0,0,0|1,0,0]=2 28 B11R1.21 CC1=CC=C(C=C1C)C(C)O CNP0612219.0 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.21 CC1=CC=C(C=C1O)C(=O)O CNP0262674.0 [1,0,0,0,0,0|1,0,0]=2 30 B11R1.21 CN1C=C(C=CC1=O)C(=O)N CNP0249493.0 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.21 CN1C=C(C=CC1=O)C(=O)O CNP0136116.0 [1,0,0,0,0,0|1,0,1]=3 32 B11R1.21 NC(=O)C1=CC=C(C(=C1)N)O CNP0336966.0 [1,0,0,0,0,0|2,0,0]=3 33 B11R1.21 NC(=O)C1=CC=C(C(=C1)O)O CNP0582162.0 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.21 NC1=CC(=CC=C1O)C(=O)O CNP0343618.0 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.21 NC1=CC=C(C=C1N)C(=O)O CNP0515616.0 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.21 NC1=CC=C(C=C1O)C(=O)O CNP0018090.0 [1,0,0,0,0,0|1,0,0]=2 37 B11R1.21 O=C(O)C1=CC(=O)C(=CO1)O CNP0498099.0 [1,0,0,0,0,0|1,0,1]=3 38 B11R1.21 O=C(O)C1=CC=C(C(=C1)Br)O CNP0414254.0 [1,0,0,0,0,0|1,0,0]=2 39 B11R1.21 O=C(O)C1=CC=C(C(=C1)Cl)O CNP0131355.0 [1,0,0,0,0,0|1,0,0]=2 40 B11R1.21 O=C(O)C1=CC=C(C(=C1)O)O CNP0348948.0 [1,0,0,0,0,0|0,0,0]=1 41 B11R1.21 O=C(O)C1=CC[C@H](C(=C1)O)O CNP0081104.1 [1,0,0,0,0,0|0,0,2]=3 42 B11R1.21 O=C(O)C1=COC(=O)C(=C1)Br CNP0460308.0 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)Cl)O CNP0491874.0 [1,0,0,0,0,0|2,0,1]=4 44 B11R1.21 O=[N+]([O-])C1=CC=C(C(=C1)O)O CNP0593657.0 [1,0,0,0,0,0|1,0,1]=3 45 B11R1.266 CC(=O)C1=CC=CC(=C1)C=O CNP0357224.0 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.266 CCC1=CC=CC(=C1)C(=O)C CNP0129791.0 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.266 COC1=CC=CC(=C1)C(=O)C CNP0402576.0 [1,0,0,0,0,0|1,0,0]=2 48 B11R1.266 COC1=CC=CC(=C1)C(=O)Cl CNP0325095.0 [1,0,0,0,0,0|1,0,0]=2 49 B11R1.266 COC1=CC=CC(=C1)C(=O)N CNP0107427.0 [1,0,0,0,0,0|1,0,0]=2 50 B11R1.266 COC1=CC=CC(=C1)C(=O)O CNP0251972.0 [1,0,0,0,0,0|0,0,0]=1 51 B11R1.266 COC1=CC=CC(=C1)N(C)C CNP0594647.0 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.266 O=C(O)C1=CC=CC(=C1)CBr CNP0445236.0 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.266 O=CC1=CC=CC(=C1)C(=O)O CNP0507166.0 [1,0,0,0,0,0|2,0,0]=3 54 B11R1.280 C=CC1=CC=C(C(=C1)OC)O CNP0357819.0 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.280 CCC1=CC(=NO)C=CC1=O CNP0188606.0 [1,0,0,0,0,0|2,0,1]=4 56 B11R1.280 CCC1=CC=C(C(=C1)OC)C CNP0257657.0 [1,0,0,0,0,0|2,0,1]=4 57 B11R1.280 CCC1=CC=C(C(=C1)OC)O CNP0401902.0 [1,0,0,0,0,0|1,0,1]=3 58 B11R1.280 COC1=CC(=CC=C1Cl)C=O CNP0146169.0 [1,0,0,0,0,0|1,0,0]=2 59 B11R1.280 COC1=CC(=CC=C1O)C#N CNP0252520.0 [1,0,0,0,0,0|1,0,1]=3 60 B11R1.280 COC1=CC(=CC=C1O)C=O CNP0270199.0 [1,0,0,0,0,0|0,0,0]=1 61 B11R1.280 COC1=CC(=CC=C1O)CN CNP0052909.0 [1,0,0,0,0,0|1,0,1]=3 62 B11R1.280 COC1=CC(=CC=C1O)CO CNP0268270.0 [1,0,0,0,0,0|0,0,1]=2 63 B11R1.280 COC1=CC(=CC=C1O)OO CNP0508207.0 [1,0,0,0,0,0|1,0,0]=2 64 B11R1.280 COC1=CC=C(C(=C1)OC)Br CNP0018842.0 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.280 COC1=CC=C(C(=C1)OC)O CNP0124974.0 [1,0,0,0,0,0|2,0,0]=3 66 B11R1.280 O=CC1=C/C(=N/O)/[C@H](C=C1)O CNP0566241.1 [1,0,0,0,0,0|2,0,1]=4 67 B11R1.280 O=CC1=CC(=NO)C(C=C1)O CNP0535658.0 [1,0,0,0,0,0|2,0,1]=4 68 B11R1.280 O=CC1=CC=C(C(=C1)C=O)O CNP0277701.0 [1,0,0,0,0,0|2,0,0]=3 69 B11R1.280 O=CC1=CC=C(C(=C1)N=O)O CNP0283266.0 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.280 O=CC1=CC=C(C(=C1)N=O)[O-] CNP0482903.0 [1,0,0,0,0,0|2,0,1]=4 71 B11R1.280 O=CC1=CC=C(C(=C1)N=O)[O-] CNP0565531.0 [1,0,0,0,0,0|2,0,1]=4 72 B13R1.13 CC(=O)C1=CC(=CC=C1O)C(=O)O CNP0076310.0 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.13 CC(=O)C1=CC=C(C(=C1)C(=O)C)O CNP0162097.0 [0,1,0,0,0,0|2,0,0]=3 74 B13R1.13 CC(=O)C1=CC=C(C(=C1)C(=O)O)O CNP0528188.0 [0,1,0,0,0,0|3,0,0]=4 75 B13R1.13 CC1=CC=C(C=C1[N+](=O)[O-])C(=O)O CNP0530373.0 [0,1,0,0,0,0|3,0,0]=4 76 B13R1.13 NC(=O)C1=CC=C(C(=C1)[N+](=O)[O-])O CNP0560375.0 [0,1,0,0,0,0|3,0,0]=4 77 B13R1.13 O=C(O)C1=CC=C(C(=C1)C(=O)O)O CNP0159995.0 [0,1,0,0,0,0|2,0,0]=3 78 B13R1.13 O=C(O)C1=CC=C(C(=C1)[N+](=O)[O-])O CNP0525330.0 [0,1,0,0,0,0|2,0,0]=3 79 B13R1.49 CCC(=O)C1=CC=C(C(=C1)OC)O CNP0146838.0 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.49 CC[C@@H](O)C1=CC=C(C(=C1)OC)O CNP0362761.2 [0,1,0,0,0,0|1,0,1]=3 81 B13R1.49 CC[C@H](O)C1=CC=C(C(=C1)OC)O CNP0362761.1 [0,1,0,0,0,0|1,0,1]=3 82 B13R1.49 COC(=O)C1=CC=C(C(=C1)OC)N CNP0017903.0 [0,1,0,0,0,0|1,0,0]=2 83 B13R1.49 COC(=O)C1=CC=C(C(=C1)OC)O CNP0205762.0 [0,1,0,0,0,0|0,0,0]=1 84 B13R1.49 COC1=CC(=CC=C1O)C(=NO)C CNP0173953.0 [0,1,0,0,0,0|1,0,0]=2 85 B13R1.49 COC1=CC(=CC=C1O)C(=O)CO CNP0379786.0 [0,1,0,0,0,0|0,0,0]=1 86 B13R1.49 COC1=CC(=CC=C1O)C(O)C=O CNP0022427.0 [0,1,0,0,0,0|0,0,1]=2 87 B13R1.49 COC1=CC(=CC=C1O)[C@@H](O)CN CNP0113388.2 [0,1,0,0,0,0|1,0,1]=3 88 B13R1.49 COC1=CC(=CC=C1O)[C@@H](O)CO CNP0116546.1 [0,1,0,0,0,0|0,0,2]=3 89 B13R1.49 COC1=CC(=CC=C1O)[C@H](O)CN CNP0113388.1 [0,1,0,0,0,0|1,0,1]=3 90 B13R1.49 COC1=CC(=CC=C1O)[C@H](O)CO CNP0116546.2 [0,1,0,0,0,0|0,0,2]=3 91 B13R1.50 COC1=CC(=CC=C1C)C(C)(C)O CNP0405242.0 [0,1,0,0,0,0|2,0,1]=4 92 B13R1.298 COC1=C(C(=O)OC(=C1)C(=O)C)C CNP0105230.0 [0,1,0,0,0,0|3,0,0]=4 93 B13R1.298 COC1=CC(=CC(=C1O)O)C(=O)O CNP0383759.0 [0,1,0,0,0,0|0,0,0]=1 94 B13R1.354 CC(=O)C1=CC=C(C(=C1)CCO)O CNP0348573.0 [0,1,0,0,0,0|2,0,0]=3 95 B13R1.354 CC=CC1=CC(=CC=C1O)C(=O)O CNP0289208.0 [0,1,0,0,0,0|1,0,0]=2 96 B13R1.354 CCOC1=CC(=CC=C1O)C(=O)O CNP0076092.0 [0,1,0,0,0,0|0,0,0]=1 97 B13R1.2403 COC1C=C(C=CC1(C)O)C(=O)O CNP0570531.0 [0,1,0,0,0,0|0,0,2]=3 98 B13R1.3091 C=C(C)C1=CC=C(C(=C1)OC)OC CNP0310060.0 [0,1,0,0,0,0|2,0,0]=3 99 B13R1.3091 COC1=CC=C(C=C1C=O)C(=O)C CNP0138193.0 [0,1,0,0,0,0|3,0,0]=4 100 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)C CNP0212163.0 [0,1,0,0,0,0|1,0,0]=2 101 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)N CNP0186366.0 [0,1,0,0,0,0|1,0,0]=2 102 B13R1.3091 COC1=CC=C(C=C1OC)C(=O)O CNP0328859.0 [0,1,0,0,0,0|0,0,0]=1 103 B13R1.3091 COC1=CC=C(C=C1OC)C(C)O CNP0521065.0 [0,1,0,0,0,0|1,0,1]=3 104 B13R1.3230 COC1=C(C=CC(=C1O)C(=O)C)O CNP0578194.0 [0,1,0,0,0,0|1,0,0]=2 105 B13R1.3230 COC1=C(C=CC(=C1O)C(=O)N)O CNP0315935.0 [0,1,0,0,0,0|1,0,0]=2 106 B13R1.6806 COC1(CC(=CC=C1O)C(=O)O)O CNP0600103.0 [0,1,0,0,0,0|0,0,2]=3 107 B11R0.275 CCC(=C(C)O)C=C(C)C(=O)O CNP0345114.0 [0,0,1,0,0,0|1,0,2]=4 108 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 CNP0365179.0 [0,0,0,1,0,0|2,0,0]=3 109 B13R2.430 CC(=O)C1=CC=C2OCOC2=C1 CNP0109786.0 [0,0,0,1,0,0|1,0,0]=2 110 B13R2.430 NC(=O)C1=CC=C2OCOC2=C1 CNP0322148.0 [0,0,0,1,0,0|1,0,0]=2 111 B13R2.430 O=C(Cl)C1=CC=C2OCOC2=C1 CNP0266159.0 [0,0,0,1,0,0|1,0,0]=2 112 B13R2.430 O=C(O)C1=CC=C2NC=CC2=C1 CNP0083028.0 [0,0,0,1,0,0|2,0,1]=4 113 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 CNP0314403.0 [0,0,0,1,0,0|1,0,1]=3 114 B13R2.430 O=C(O)C1=CC=C2OCCC2=C1 CNP0201380.0 [0,0,0,1,0,0|1,0,0]=2 115 B13R2.430 O=C(O)C1=CC=C2OCOC2=C1 CNP0322584.0 [0,0,0,1,0,0|0,0,0]=1 116 B13R1.52 COC1=CC(=CC=C1Br)CC(=O)O CNP0473704.0 [0,0,0,0,0,1|1,0,0]=2 117 B13R1.52 COC1=CC(=CC=C1O)CC(=O)C CNP0185438.0 [0,0,0,0,0,1|1,0,0]=2 118 B13R1.52 COC1=CC(=CC=C1O)CC(=O)O CNP0188137.0 [0,0,0,0,0,1|0,0,0]=1 119 B13R1.52 COC1=CC(=CC=C1O)CC(C)N CNP0310601.0 [0,0,0,0,0,1|2,0,1]=4 120 B13R1.52 COC1=CC(=CC=C1O)C[C@H](C)O CNP0207715.1 [0,0,0,0,0,1|1,0,1]=3 121 B10R0.55 CNC(=O)C=CC=CC(=O)O CNP0109951.0 [1,0,1,0,0,0|2,0,0]=4 122 B10R0.55 COC(=O)C=CC=CC(=O)O CNP0394704.0 [1,0,1,0,0,0|1,0,0]=3 123 B10R0.83 COC(=O)C(=CC=CC=O)O CNP0452921.0 [1,0,1,0,0,0|1,0,0]=3 124 B10R0.98 CC(=O)C=CC=C(O)C(=O)O CNP0374205.0 [1,0,1,0,0,0|2,0,0]=4 125 B10R0.98 NC(=CC=CC(=O)O)C(=O)O CNP0360097.0 [1,0,1,0,0,0|2,0,0]=4 126 B10R1.13 CC(=O)C1=CC=C(C=C1)Br CNP0078494.0 [2,0,0,0,0,0|2,0,0]=4 127 B10R1.13 CC(=O)C1=CC=C(C=C1)C CNP0415909.0 [2,0,0,0,0,0|2,0,0]=4 128 B10R1.13 CC(=O)C1=CC=C(C=C1)I CNP0361256.0 [2,0,0,0,0,0|2,0,0]=4 129 B10R1.13 CC(=O)C1=CC=C(C=C1)N CNP0127987.0 [2,0,0,0,0,0|2,0,0]=4 130 B10R1.13 CC(=O)C1=CC=C(C=C1)O CNP0327993.0 [2,0,0,0,0,0|1,0,0]=3 131 B10R1.13 CC1=CC=C(C=C1)C(=O)Br CNP0248072.0 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl CNP0150539.0 [2,0,0,0,0,0|2,0,0]=4 133 B10R1.13 CC1=CC=C(C=C1)C(=O)N CNP0158656.0 [2,0,0,0,0,0|2,0,0]=4 134 B10R1.13 CC1=CC=C(C=C1)C(=O)O CNP0232170.0 [2,0,0,0,0,0|1,0,0]=3 135 B10R1.13 C[C@@H](O)C1=CC=C(C=C1)O CNP0112149.2 [2,0,0,0,0,0|1,0,1]=4 136 B10R1.13 C[C@H](O)C1=CC=C(C=C1)O CNP0112149.1 [2,0,0,0,0,0|1,0,1]=4 137 B10R1.13 NC(=O)C1=CC=C(C=C1)O CNP0330477.0 [2,0,0,0,0,0|1,0,0]=3 138 B10R1.13 NC1=CC=C(C=C1)C(=O)O CNP0152805.0 [2,0,0,0,0,0|1,0,0]=3 139 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0528356.0 [2,0,0,0,0,0|1,0,1]=4 140 B10R1.13 NC1=CC=C(C=C1)C(=O)[O-] CNP0585530.0 [2,0,0,0,0,0|1,0,1]=4 141 B10R1.13 O=C(O)C1=CC=C(C=C1)Cl CNP0147578.0 [2,0,0,0,0,0|1,0,0]=3 142 B10R1.13 O=C(O)C1=CC=C(C=C1)O CNP0253685.0 [2,0,0,0,0,0|0,0,0]=2 143 B10R1.13 O=C(O)C1=CC=C(C=C1)[Hg] CNP0481307.0 [2,0,0,0,0,0|1,0,0]=3 144 B10R1.13 O=C(O)C1=CC=C(C=C1)[O-] CNP0538591.0 [2,0,0,0,0,0|0,0,1]=3 145 B10R1.13 O=C(O)C1=CC=C(C=N1)O CNP0261665.0 [2,0,0,0,0,0|1,0,0]=3 146 B10R1.13 O=C(O)C1=CC=C(N=C1)O CNP0320055.0 [2,0,0,0,0,0|1,0,0]=3 147 B10R1.13 O=C(O)C1=CNC(=O)C=C1 CNP0533542.0 [2,0,0,0,0,0|1,0,1]=4 148 B10R1.13 O=C(O)C1=COC(=O)C=C1 CNP0363999.0 [2,0,0,0,0,0|1,0,1]=4 149 B10R1.13 O=C(S)C1=CC=C(C=C1)Br CNP0564653.0 [2,0,0,0,0,0|1,1,0]=4 150 B10R1.13 O=C([O-])C1=CC=C(C=C1)O CNP0600449.0 [2,0,0,0,0,0|0,0,1]=3 151 B10R1.13 O=[N+]([O-])C1=CC=C(C=C1)O CNP0593615.0 [2,0,0,0,0,0|1,0,1]=4 152 B10R1.113 C=C(C)C1=CC=CC(=C1)C CNP0131383.0 [2,0,0,0,0,0|2,0,0]=4 153 B10R1.113 CC(=O)C1=CC(=CC=N1)C CNP0106773.0 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.113 CC(=O)C1=CC=CC(=C1)C CNP0320614.0 [2,0,0,0,0,0|1,0,0]=3 155 B10R1.113 CC(=O)C1=CC=CC(=C1)O CNP0108325.0 [2,0,0,0,0,0|1,0,0]=3 156 B10R1.113 CC(=O)C1=CC=CC(=N1)C CNP0235380.0 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.113 CC(=O)C1=CC=NC(=C1)C CNP0130309.0 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.113 CC(O)C1=CC=CC(=C1)O CNP0171685.0 [2,0,0,0,0,0|1,0,1]=4 159 B10R1.113 CC1=CC(=CC=N1)C(=O)O CNP0260041.0 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.113 CC1=CC=CC(=C1)C(=O)Cl CNP0329068.0 [2,0,0,0,0,0|1,0,0]=3 161 B10R1.113 CC1=CC=CC(=C1)C(=O)N CNP0150793.0 [2,0,0,0,0,0|1,0,0]=3 162 B10R1.113 CC1=CC=CC(=C1)C(=O)O CNP0318414.0 [2,0,0,0,0,0|0,0,0]=2 163 B10R1.113 CC1=CC=CC(=C1)I(O)O CNP0604420.0 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.113 CC1=CN=CC(=C1)C(=O)O CNP0520053.0 [2,0,0,0,0,0|1,0,0]=3 165 B10R1.113 CN1C=CC=C(C1)C(=O)O CNP0512399.0 [2,0,0,0,0,0|1,0,1]=4 166 B10R1.113 CN1[CH]C=CC(=C1)C(=O)O CNP0480153.0 [2,0,0,0,0,0|1,0,1]=4 167 B10R1.113 C[C@H](O)C1=CC=CC(=C1)O CNP0171685.1 [2,0,0,0,0,0|1,0,1]=4 168 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0212015.0 [2,0,0,0,0,0|2,0,0]=4 169 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N CNP0497456.0 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0524507.0 [2,0,0,0,0,0|1,0,0]=3 171 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O CNP0588667.0 [2,0,0,0,0,0|1,0,0]=3 172 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0337775.0 [2,0,0,0,0,0|1,0,1]=4 173 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)[O-] CNP0563691.0 [2,0,0,0,0,0|1,0,1]=4 174 B10R1.113 NC(=O)C1=CC=CC(=C1)Br CNP0018100.0 [2,0,0,0,0,0|2,0,0]=4 175 B10R1.113 NC(=O)C1=CC=CC(=C1)Cl CNP0036584.0 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.113 NC(=O)C1=CC=CC(=C1)N CNP0576660.0 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.113 NC(=O)C1=CC=CC(=C1)O CNP0113657.0 [2,0,0,0,0,0|1,0,0]=3 178 B10R1.113 NC1=CC=CC(=C1)C(=O)O CNP0081123.0 [2,0,0,0,0,0|1,0,0]=3 179 B10R1.113 O=C(Cl)C1=CC=CC(=C1)Br CNP0018295.0 [2,0,0,0,0,0|2,0,0]=4 180 B10R1.113 O=C(O)C1=CC=CC(=C1)Br CNP0356258.0 [2,0,0,0,0,0|1,0,0]=3 181 B10R1.113 O=C(O)C1=CC=CC(=C1)Cl CNP0206363.0 [2,0,0,0,0,0|1,0,0]=3 182 B10R1.113 O=C(O)C1=CC=CC(=C1)O CNP0217243.0 [2,0,0,0,0,0|0,0,0]=2 183 B10R1.113 O=C(O)C1=CC=C[N+](=C1)[O-] CNP0486873.0 [2,0,0,0,0,0|1,0,1]=4 184 B10R1.113 O=C(O)C1=CN=CC(=C1)O CNP0573743.0 [2,0,0,0,0,0|1,0,0]=3 185 B10R1.176 C=CC1=CC=C(C(=C1)C)C CNP0083008.0 [2,0,0,0,0,0|2,0,0]=4 186 B10R1.176 C=CC1=CC=C(C(=C1)O)O CNP0218096.0 [2,0,0,0,0,0|1,0,0]=3 187 B10R1.176 CC1=CC(=CC=C1N)N=O CNP0042604.0 [2,0,0,0,0,0|2,0,0]=4 188 B10R1.176 CC1=CC(=CC=C1O)C=O CNP0018890.0 [2,0,0,0,0,0|0,0,0]=2 189 B10R1.176 CC1=CC(=NO)C=CC1=O CNP0254335.0 [2,0,0,0,0,0|1,0,1]=4 190 B10R1.176 CC1=CC=C(C=C1C)CO CNP0515257.0 [2,0,0,0,0,0|1,0,1]=4 191 B10R1.176 CCC1=CC=C(C(=C1)C)O CNP0271974.0 [2,0,0,0,0,0|1,0,1]=4 192 B10R1.176 CCC1=CC=C(C(=C1)O)O CNP0344368.0 [2,0,0,0,0,0|1,0,1]=4 193 B10R1.176 COC1=CC=C(C(=C1)C)O CNP0175131.0 [2,0,0,0,0,0|2,0,0]=4 194 B10R1.176 COC1=CC=C(C(=C1)O)O CNP0241033.0 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.176 N#CC1=CC=C(C(=C1)O)O CNP0155663.0 [2,0,0,0,0,0|1,0,1]=4 196 B10R1.176 NC1=CC(=CC=C1O)C=O CNP0343365.0 [2,0,0,0,0,0|1,0,0]=3 197 B10R1.176 NCC1=CC=C(C(=C1)O)O CNP0353669.0 [2,0,0,0,0,0|1,0,1]=4 198 B10R1.176 O=CC1=CC=C(C(=C1)Br)O CNP0212461.0 [2,0,0,0,0,0|1,0,0]=3 199 B10R1.176 O=CC1=CC=C(C(=C1)Cl)Cl CNP0066778.0 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.176 O=CC1=CC=C(C(=C1)O)O CNP0203672.0 [2,0,0,0,0,0|0,0,0]=2 201 B10R1.176 OCC1=CC=C(C(=C1)Br)O CNP0161139.0 [2,0,0,0,0,0|1,0,1]=4 202 B10R1.176 OCC1=CC=C(C(=C1)O)O CNP0262481.0 [2,0,0,0,0,0|0,0,1]=3 203 B10R1.172 CCC1=CC=CC(=C1)C=O CNP0154951.0 [2,0,0,0,0,0|1,0,0]=3 204 B10R1.172 CCC1=CC=CC(=C1)CO CNP0495646.0 [2,0,0,0,0,0|1,0,1]=4 205 B10R1.172 COC1=CC=CC(=C1)C#N CNP0199473.0 [2,0,0,0,0,0|1,0,1]=4 206 B10R1.172 COC1=CC=CC(=C1)C=O CNP0283218.0 [2,0,0,0,0,0|0,0,0]=2 207 B10R1.172 COC1=CC=CC(=C1)CO CNP0345399.0 [2,0,0,0,0,0|0,0,1]=3 208 B10R1.172 COC1=CC=CC(=C1)OC CNP0283758.0 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.172 O=CC1=CC=CC(=C1)C=O CNP0522103.0 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.30 CCC1=CC(=CC=C1C)O CNP0305920.0 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.30 CCC1=CC(=CC=C1O)C CNP0329742.0 [2,0,0,0,0,0|1,0,1]=4 212 B10R1.30 CCC1=CC(=CC=C1O)O CNP0246876.0 [2,0,0,0,0,0|1,0,0]=3 213 B10R1.30 CCC1=CC(=O)C=CC1=O CNP0391524.0 [2,0,0,0,0,0|1,0,1]=4 214 B10R1.30 COC1=CC(=CC=C1C)C CNP0250959.0 [2,0,0,0,0,0|1,0,1]=4 215 B10R1.30 COC1=CC(=CC=C1N)O CNP0304667.0 [2,0,0,0,0,0|1,0,0]=3 216 B10R1.30 COC1=CC(=CC=C1O)C CNP0264266.0 [2,0,0,0,0,0|0,0,1]=3 217 B10R1.30 COC1=CC(=CC=C1O)O CNP0204166.0 [2,0,0,0,0,0|0,0,0]=2 218 B10R1.30 COC1=CC(=N)C=CC1=O CNP0141181.0 [2,0,0,0,0,0|1,0,1]=4 219 B10R1.30 COC1=CC(=O)C=CC1=O CNP0221542.0 [2,0,0,0,0,0|0,0,1]=3 220 B10R1.30 N#CC1=CC(=CC=C1O)O CNP0284631.0 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.30 O=CC1=CC(=CC=C1O)O CNP0326066.0 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.30 OCC1=CC(=CC=C1O)O CNP0290995.0 [2,0,0,0,0,0|2,0,0]=4 223 B12R1.48 COC1=CC=C(C=C1Br)C(=O)O CNP0097136.0 [1,1,0,0,0,0|1,0,0]=3 224 B12R1.48 COC1=CC=C(C=C1Cl)C(=O)O CNP0343437.0 [1,1,0,0,0,0|1,0,0]=3 225 B12R1.48 COC1=CC=C(C=C1N)C(=O)N CNP0070991.0 [1,1,0,0,0,0|2,0,0]=4 226 B12R1.48 COC1=CC=C(C=C1O)C(=O)C CNP0215048.0 [1,1,0,0,0,0|1,0,0]=3 227 B12R1.48 COC1=CC=C(C=C1O)C(=O)N CNP0428552.0 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.48 COC1=CC=C(C=C1O)C(=O)O CNP0220341.0 [1,1,0,0,0,0|0,0,0]=2 229 B12R1.48 COC1=CC=C(C=C1O)[N+](=O)[O-] CNP0599616.0 [1,1,0,0,0,0|1,0,1]=4 230 B12R1.48 COC1=COC(=CC1=O)C(=O)O CNP0349359.0 [1,1,0,0,0,0|1,0,1]=4 231 B12R1.48 O=C(O)C1=CC=C(C(=C1)O)CO CNP0123838.0 [1,1,0,0,0,0|0,0,0]=2 232 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)C CNP0579678.0 [1,1,0,0,0,0|2,0,0]=4 233 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O CNP0136455.0 [1,1,0,0,0,0|2,0,0]=4 234 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)C CNP0284124.0 [1,1,0,0,0,0|1,0,0]=3 235 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O CNP0243066.0 [1,1,0,0,0,0|1,0,0]=3 236 B12R1.232 CC1=CC(=C(C=C1Br)C)C(=O)O CNP0462913.0 [1,1,0,0,0,0|1,0,0]=3 237 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C CNP0171746.0 [1,1,0,0,0,0|1,0,0]=3 238 B12R1.232 CC1=CC(=C(C=C1[N+](=O)[O-])O)O CNP0541795.0 [1,1,0,0,0,0|1,0,1]=4 239 B12R1.232 NC1=CC(=C(C=C1C(=O)O)O)O CNP0323910.0 [1,1,0,0,0,0|0,0,0]=2 240 B12R1.232 O=C(O)C1=CC(=C(C=C1O)O)O CNP0129962.0 [1,1,0,0,0,0|0,0,0]=2 241 B12R1.367 CCC(=O)C1=CC=C(C(=C1)O)O CNP0313770.0 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.367 COC(=O)C1=CC(=O)C(=CO1)O CNP0491895.0 [1,1,0,0,0,0|1,0,1]=4 243 B12R1.367 COC(=O)C1=CC=C(C(=C1)Cl)Cl CNP0533621.0 [1,1,0,0,0,0|2,0,0]=4 244 B12R1.367 COC(=O)C1=CC=C(C(=C1)N)O CNP0023118.0 [1,1,0,0,0,0|1,0,0]=3 245 B12R1.367 COC(=O)C1=CC=C(C(=C1)O)N CNP0083419.0 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.367 COC(=O)C1=CC=C(C(=C1)O)O CNP0279680.0 [1,1,0,0,0,0|0,0,0]=2 247 B12R1.367 COC(=O)C1=CN(C(=O)C=C1)C CNP0334743.0 [1,1,0,0,0,0|1,0,1]=4 248 B12R1.367 N#CC(O)C1=CC=C(C(=C1)O)O CNP0085424.0 [1,1,0,0,0,0|1,0,1]=4 249 B12R1.367 NCC(=O)C1=CC=C(C(=C1)O)O CNP0133774.0 [1,1,0,0,0,0|1,0,0]=3 250 B12R1.367 NC[C@@H](O)C1=CC=C(C(=C1)O)O CNP0214798.3 [1,1,0,0,0,0|1,0,1]=4 251 B12R1.367 NC[C@H](O)C1=CC=C(C(=C1)O)O CNP0214798.2 [1,1,0,0,0,0|1,0,1]=4 252 B12R1.367 O=C(CO)C1=CC=C(C(=C1)O)O CNP0281749.0 [1,1,0,0,0,0|0,0,0]=2 253 B12R1.367 O=C(NO)C1=CC=C(C(=C1)O)O CNP0501868.0 [1,1,0,0,0,0|0,0,0]=2 254 B12R1.367 O=CC(O)C1=CC=C(C(=C1)O)O CNP0280132.0 [1,1,0,0,0,0|0,0,1]=3 255 B12R1.367 OC[C@H](O)C1=CC=C(C(=C1)O)O CNP0188951.1 [1,1,0,0,0,0|0,0,2]=4 256 B12R1.893 CC(=O)C1=CC=C(C(=C1C)C)C CNP0584174.0 [1,1,0,0,0,0|2,0,0]=4 257 B12R1.893 CC(=O)C1=CC=C(C(=C1O)C)O CNP0289312.0 [1,1,0,0,0,0|1,0,0]=3 258 B12R1.893 CC(=O)C1=CC=C(C(=C1O)O)O CNP0213966.0 [1,1,0,0,0,0|1,0,0]=3 259 B12R1.893 CC1=C(C=CC(=C1O)O)C(=O)O CNP0481433.0 [1,1,0,0,0,0|0,0,0]=2 260 B12R1.893 CC1=C(C=CC(=C1O)[N+](=O)[O-])O CNP0487415.0 [1,1,0,0,0,0|1,0,1]=4 261 B12R1.893 CC1=CC=C(C(=C1C)C)C(=O)O CNP0133340.0 [1,1,0,0,0,0|1,0,0]=3 262 B12R1.893 CC1=CC=C(C(=C1O)N)C(=O)O CNP0239974.0 [1,1,0,0,0,0|1,0,0]=3 263 B12R1.893 NC1=C(C=CC(=C1O)Cl)C(=O)O CNP0571729.0 [1,1,0,0,0,0|1,0,0]=3 264 B12R1.893 O=C(O)C1=C(C(=O)C(=CO1)O)O CNP0274161.0 [1,1,0,0,0,0|1,0,1]=4 265 B12R1.893 O=C(O)C1=CC=C(C(=C1O)O)O CNP0165116.0 [1,1,0,0,0,0|0,0,0]=2 266 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)C)O)C CNP0169307.0 [1,1,0,0,0,0|1,0,0]=3 267 B12R1.1005 CC(=O)C1=CC(=C(C(=C1)O)O)O CNP0139788.0 [1,1,0,0,0,0|1,0,0]=3 268 B12R1.1005 CC1=C(C=C(C=C1O)C(=O)O)O CNP0453501.0 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.1005 CC1=CC(=CC(=C1O)C)C(=O)O CNP0192461.0 [1,1,0,0,0,0|0,0,0]=2 270 B12R1.1005 NC(=O)C1=CC(=C(C(=C1)O)O)O CNP0198006.0 [1,1,0,0,0,0|1,0,0]=3 271 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Br)O)Br CNP0425607.0 [1,1,0,0,0,0|1,0,0]=3 272 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Br)O)O CNP0081695.0 [1,1,0,0,0,0|0,0,0]=2 273 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)Cl)O)Cl CNP0185897.0 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)O)O CNP0133244.0 [1,1,0,0,0,0|0,0,0]=2 275 B12R1.1005 O=C(O)C1=CC(=C(C(=C1)O)[O-])[O-] CNP0576349.0 [1,1,0,0,0,0|0,0,1]=3 276 B12R1.11 CCC1=CC(=O)OC(=C1)C(=O)O CNP0216144.0 [1,1,0,0,0,0|2,0,0]=4 277 B12R1.11 COC1=CC(=CC(=C1)C(=O)O)C CNP0589100.0 [1,1,0,0,0,0|0,0,0]=2 278 B12R1.11 COC1=CC(=CC(=C1)C(=O)O)O CNP0247560.0 [1,1,0,0,0,0|0,0,0]=2 279 B12R1.11 COC1=CC(=O)OC(=C1)C(=O)C CNP0295805.0 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)C CNP0304319.0 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)N CNP0209482.0 [1,1,0,0,0,0|2,0,0]=4 282 B12R1.258 CC(=O)C1=CC=CC(=C1)C(=O)O CNP0441014.0 [1,1,0,0,0,0|1,0,0]=3 283 B12R1.258 O=C(O)C1=CC=CC(=C1)C(=O)O CNP0265672.0 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.279 CCOC1=CC=CC(=C1)C(=O)O CNP0286822.0 [1,1,0,0,0,0|0,0,0]=2 285 B12R1.435 CCC(=O)C1=CC=CC(=C1)OC CNP0528606.0 [1,1,0,0,0,0|1,0,0]=3 286 B12R1.435 CCC1=CN=CC(=C1)C(=O)OC CNP0187965.0 [1,1,0,0,0,0|2,0,0]=4 287 B12R1.435 COC(=O)C1=CC=CC(=C1)OC CNP0332308.0 [1,1,0,0,0,0|0,0,0]=2 288 B12R1.440 C=C(C)C1=CC=CC(=C1C)OC CNP0162218.0 [1,1,0,0,0,0|2,0,0]=4 289 B12R1.440 COC1=CC=CC(=C1C)[N+](=O)[O-] CNP0575943.0 [1,1,0,0,0,0|1,0,1]=4 290 B12R1.440 COC1=CC=CC(=C1N)C(=O)O CNP0141530.0 [1,1,0,0,0,0|0,0,0]=2 291 B12R1.440 COC1=CC=CC(=C1O)C(=O)O CNP0153479.0 [1,1,0,0,0,0|0,0,0]=2 292 B12R1.453 COC1=CC=C(C(=C1)C(=O)C)O CNP0250088.0 [1,1,0,0,0,0|1,0,0]=3 293 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)C CNP0460157.0 [1,1,0,0,0,0|0,0,0]=2 294 B12R1.453 COC1=CC=C(C(=C1)C(=O)O)O CNP0195415.0 [1,1,0,0,0,0|0,0,0]=2 295 B12R1.453 O=CC1=CC=C(C(=C1)C(=O)O)O CNP0575784.0 [1,1,0,0,0,0|2,0,0]=4 296 B12R1.78 C=CC1=CC=C(C(=C1)OC)OC CNP0198714.0 [1,1,0,0,0,0|1,0,0]=3 297 B12R1.78 CCC1=CC=C(C(=C1)OC)OC CNP0104859.0 [1,1,0,0,0,0|1,0,1]=4 298 B12R1.78 COC1=CC=C(C(=C1)OC)OC CNP0327068.0 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.78 COC1=CC=C(C=C1C=O)C=O CNP0350650.0 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.78 COC1=CC=C(C=C1OC)C=O CNP0216130.0 [1,1,0,0,0,0|0,0,0]=2 301 B12R1.78 COC1=CC=C(C=C1OC)CCl CNP0479327.0 [1,1,0,0,0,0|1,0,1]=4 302 B12R1.78 COC1=CC=C(C=C1OC)CO CNP0202849.0 [1,1,0,0,0,0|0,0,1]=3 303 B12R1.270 CCOC1=CC(=CC=C1O)C=O CNP0155747.0 [1,1,0,0,0,0|0,0,0]=2 304 B12R1.286 C=CCC1=CC=C(C(=C1)OC)O CNP0134292.0 [1,1,0,0,0,0|1,0,0]=3 305 B12R1.286 CC#CC1=CC=C(C(=C1)OC)O CNP0612156.0 [1,1,0,0,0,0|1,0,1]=4 306 B12R1.286 CC=CC1=CC=C(C(=C1)OC)O CNP0315621.0 [1,1,0,0,0,0|1,0,0]=3 307 B12R1.286 CCC1=CC(=CC=C1O)NC=O CNP0272770.0 [1,1,0,0,0,0|1,0,0]=3 308 B12R1.286 CCCC1=CC=C(C(=C1)OC)O CNP0321309.0 [1,1,0,0,0,0|1,0,1]=4 309 B12R1.286 COC1=CC(=CC=C1O)C=CO CNP0237756.0 [1,1,0,0,0,0|0,0,0]=2 310 B12R1.286 COC1=CC(=CC=C1O)C=NO CNP0416336.0 [1,1,0,0,0,0|0,0,0]=2 311 B12R1.286 COC1=CC(=CC=C1O)CC=O CNP0262632.0 [1,1,0,0,0,0|0,0,0]=2 312 B12R1.286 COC1=CC(=CC=C1O)CCN CNP0308219.0 [1,1,0,0,0,0|1,0,1]=4 313 B12R1.286 COC1=CC(=CC=C1O)CCO CNP0423217.0 [1,1,0,0,0,0|0,0,1]=3 314 B12R1.286 COCC1=CC=C(C(=C1)OC)O CNP0276003.0 [1,1,0,0,0,0|0,0,1]=3 315 B12R1.300 CCC1=CC(=C(C(=C1)OC)O)C CNP0518382.0 [1,1,0,0,0,0|1,0,1]=4 316 B12R1.300 COC1=CC(=CC(=C1O)Br)C=O CNP0317155.0 [1,1,0,0,0,0|0,0,0]=2 317 B12R1.300 COC1=CC(=CC(=C1O)I)C=O CNP0268105.0 [1,1,0,0,0,0|0,0,0]=2 318 B12R1.300 COC1=CC(=CC(=C1O)O)C=O CNP0377931.0 [1,1,0,0,0,0|0,0,0]=2 319 B12R1.449 COC1=CC(=C(C=C1O)Br)C=O CNP0403804.0 [1,1,0,0,0,0|0,0,0]=2 320 B12R1.449 COC1=CC(=C(C=C1O)Cl)C=O CNP0154420.0 [1,1,0,0,0,0|0,0,0]=2 321 B12R1.449 O=CC1=CC(=C(C=C1O)O)C=O CNP0039377.0 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.489 COCC1=C(NC=C1C(=O)O)O CNP0308489.0 [0,1,0,0,1,0|1,0,0]=3 323 B12R1.622 COC1=COC(=C1OC)C(=O)C CNP0144119.0 [0,1,0,0,1,0|2,0,0]=4 324 B12R1.743 COC(=O)C1=CNC(=C1OC)O CNP0166968.0 [0,1,0,0,1,0|1,0,0]=3 325 B14R1.41 COC1=CC(=CC=C1O)C(=O)C(=O)C CNP0236000.0 [0,1,0,0,0,1|1,0,0]=3 326 B14R1.41 COC1=CC(=CC=C1O)C(=O)C(=O)N CNP0209538.0 [0,1,0,0,0,1|1,0,0]=3 327 B14R1.41 COC1=CC(=CC=C1O)C(=O)[C@@H](C)O CNP0103106.2 [0,1,0,0,0,1|1,0,1]=4 328 B14R1.41 COC1=CC(=CC=C1O)C(=O)[C@H](C)O CNP0103106.1 [0,1,0,0,0,1|1,0,1]=4 329 B14R1.41 COC1=CC(=CC=C1O)C(C)C(=O)O CNP0551476.0 [0,1,0,0,0,1|0,0,0]=2 330 B14R1.41 COC1=CC(=CC=C1O)[C@@H](O)C(=O)C CNP0150504.1 [0,1,0,0,0,1|1,0,0]=3 331 B14R1.41 COC1=CC(=CC=C1O)[C@@H](O)C(=O)O CNP0259735.2 [0,1,0,0,0,1|0,0,0]=2 332 B14R1.41 COC1=CC(=CC=C1O)[C@@H](O)[C@@H](C)O CNP0147365.3 [0,1,0,0,0,1|1,0,1]=4 333 B14R1.41 COC1=CC(=CC=C1O)[C@@H](O)[C@H](C)O CNP0147365.1 [0,1,0,0,0,1|1,0,1]=4 334 B14R1.41 COC1=CC(=CC=C1O)[C@H](O)C(=O)O CNP0259735.1 [0,1,0,0,0,1|0,0,0]=2 335 B14R1.41 COC1=CC(=CC=C1O)[C@H](O)[C@@H](C)O CNP0147365.2 [0,1,0,0,0,1|1,0,1]=4 336 B14R1.41 COC1=CC(=CC=C1O)[C@H](O)[C@H](C)O CNP0147365.4 [0,1,0,0,0,1|1,0,1]=4 337 B14R1.705 CC(=O)C1=CC(=CC=C1O)CC(=O)O CNP0075792.0 [0,1,0,0,0,1|1,0,0]=3 338 B14R1.705 CC(=O)NC1=CC=C(C(=C1)C(=O)C)O CNP0035331.0 [0,1,0,0,0,1|2,0,0]=4 339 B14R1.705 O=C(O)CC1=CC=C(C(=C1)[N+](=O)[O-])O CNP0530688.0 [0,1,0,0,0,1|2,0,0]=4 340 B14R1.3405 COC(=O)CC1=CC=C(C(=C1)OC)O CNP0561542.0 [0,1,0,0,0,1|0,0,0]=2 341 B14R1.3405 COC1=CC(=CC=C1O)CC(=O)CO CNP0317003.0 [0,1,0,0,0,1|0,0,0]=2 342 B14R1.3405 COC1=CC(=CC=C1O)C[C@@H](O)CO CNP0368718.2 [0,1,0,0,0,1|0,0,2]=4 343 B14R1.3405 COC1=CC(=CC=C1O)C[C@H](C)CO CNP0281039.1 [0,1,0,0,0,1|1,0,1]=4 344 B14R1.3405 COC1=CC(=CC=C1O)C[C@H](O)CO CNP0368718.1 [0,1,0,0,0,1|0,0,2]=4 345 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)C CNP0169719.0 [0,1,0,0,0,1|1,0,0]=3 346 B14R1.3651 COC1=CC=C(C=C1OC)CC(=O)O CNP0212917.0 [0,1,0,0,0,1|0,0,0]=2 347 B14R1.4106 COC1=C(N(C=CC1=O)CC(=O)O)C CNP0102587.0 [0,1,0,0,0,1|1,0,1]=4 348 B14R1.31 COC1=CC=C(C=C1C(=O)C)C(=O)C CNP0225813.0 [0,2,0,0,0,0|2,0,0]=4 349 B14R1.31 COC1=CC=C(C=C1C(=O)C)C(=O)O CNP0322723.0 [0,2,0,0,0,0|1,0,0]=3 350 B14R1.31 COC1=CC=C(C=C1C(=O)O)C(=O)O CNP0213665.0 [0,2,0,0,0,0|2,0,0]=4 351 B14R1.6045 CC(=O)C1=CC=C(C(=C1O)C(=O)C)O CNP0567550.0 [0,2,0,0,0,0|2,0,0]=4 352 B14R1.14211 CC1=CC(=CC(=C1O)C(=O)O)C(=O)O CNP0171590.0 [0,2,0,0,0,0|2,0,0]=4 353 B14R1.14211 O=C(O)C1=CC(=C(C(=C1)C(=O)O)O)O CNP0280034.0 [0,2,0,0,0,0|2,0,0]=4 354 B14R1.44 COC1=CC(=CC=C1O)C(CO)CO CNP0142225.0 [0,2,0,0,0,0|0,0,2]=4 355 B14R1.358 CCC(=O)C1=CC(=C(C(=C1)OC)C)O CNP0081566.0 [0,2,0,0,0,0|2,0,0]=4 356 B14R1.358 COC(=O)C1=CC(=C(C(=C1)OC)O)O CNP0252699.0 [0,2,0,0,0,0|0,0,0]=2 357 B14R1.626 CCOC(=O)C1=CC=C(C(=C1)OC)O CNP0205882.0 [0,2,0,0,0,0|0,0,0]=2 358 B14R1.626 CNC[C@@H](O)C1=CC=C(C(=C1)OC)O CNP0212601.3 [0,2,0,0,0,0|1,0,1]=4 359 B14R1.626 CNC[C@H](O)C1=CC=C(C(=C1)OC)O CNP0212601.1 [0,2,0,0,0,0|1,0,1]=4 360 B14R1.626 COC1=CC(=CC=C1O)C(=O)CCO CNP0268766.0 [0,2,0,0,0,0|0,0,0]=2 361 B14R1.626 COC1=CC(=CC=C1O)C(O)COO CNP0075731.0 [0,2,0,0,0,0|0,0,2]=4 362 B14R1.1864 C=C[C@@H](O)C1=CC=C(C(=C1)OC)OC CNP0331683.2 [0,2,0,0,0,0|1,0,1]=4 363 B14R1.1864 C=C[C@H](O)C1=CC=C(C(=C1)OC)OC CNP0331683.1 [0,2,0,0,0,0|1,0,1]=4 364 B14R1.1864 CCC(=O)C1=CC=C(C(=C1)OC)OC CNP0236093.0 [0,2,0,0,0,0|1,0,0]=3 365 B14R1.1864 CNC(=O)C1=CC=C(C(=C1)OC)OC CNP0566333.0 [0,2,0,0,0,0|1,0,0]=3 366 B14R1.1864 COC(=O)C1=CC=C(C(=C1)OC)OC CNP0246255.0 [0,2,0,0,0,0|0,0,0]=2 367 B14R1.1864 COC1=CC=C(C=C1OC)C(=O)CO CNP0214329.0 [0,2,0,0,0,0|0,0,0]=2 368 B14R1.1864 COC1=CC=C(C=C1OC)[C@@H](O)CO CNP0225122.1 [0,2,0,0,0,0|0,0,2]=4 369 B14R1.350 COC1=CC(=CC(=C1OC)O)C(=O)O CNP0285876.0 [0,2,0,0,0,0|0,0,0]=2 370 B14R1.362 COC1=CC(=CC(=C1C)OC)C(=O)O CNP0366870.0 [0,2,0,0,0,0|1,0,0]=3 371 B14R1.362 COC1=CC(=CC(=C1O)OC)C(=O)C CNP0179846.0 [0,2,0,0,0,0|1,0,0]=3 372 B14R1.362 COC1=CC(=CC(=C1O)OC)C(=O)N CNP0166750.0 [0,2,0,0,0,0|1,0,0]=3 373 B14R1.362 COC1=CC(=CC(=C1O)OC)C(=O)O CNP0155116.0 [0,2,0,0,0,0|0,0,0]=2 374 B14R1.362 COC1=CC(=CC(=C1[O-])OC)C(=O)O CNP0500838.0 [0,2,0,0,0,0|0,0,1]=3 375 B14R1.569 COC1=CC(=C(C(=C1O)O)N)C(=O)N CNP0583844.0 [0,2,0,0,0,0|1,0,0]=3 376 B14R1.569 COC1=CC(=C(C(=C1O)O)N)C(=O)O CNP0280513.0 [0,2,0,0,0,0|0,0,0]=2 377 B14R1.5293 O=C(O)C1=CC(=C(C(=C1)CCO)O)O CNP0329481.0 [0,2,0,0,0,0|1,0,0]=3 378 B14R1.25347 COC1(CC(=CC(=C1O)O)C(=O)O)O CNP0488467.0 [0,2,0,0,0,0|0,0,2]=4 379 B14R1.441 CCOC1=CC(=CC=C1OC)C(=O)O CNP0076181.0 [0,2,0,0,0,0|0,0,0]=2 380 B14R1.676 CC(=O)NC1=CC(=CC=C1O)C(=O)O CNP0291450.0 [0,2,0,0,0,0|1,0,0]=3 381 B14R1.1851 COC1=CC(=C(C=C1OC)C(=O)C)O CNP0071004.0 [0,2,0,0,0,0|1,0,0]=3 382 B14R1.1851 COC1=CC(=C(C=C1OC)C(=O)O)C CNP0304704.0 [0,2,0,0,0,0|0,0,0]=2 383 B14R1.1851 COC1=CC(=C(C=C1OC)C(=O)O)N CNP0208875.0 [0,2,0,0,0,0|0,0,0]=2 384 B14R1.2288 COC1=CC(=C(C=C1O)OC)C(=O)O CNP0217832.0 [0,2,0,0,0,0|0,0,0]=2 385 B14R1.4189 CC1=CC(=C(C(=C1C(=O)O)O)C=O)O CNP0312748.0 [0,2,0,0,0,0|2,0,0]=4 386 B14R1.4189 COC1=C(C=C(C(=C1O)C(=O)C)O)O CNP0378692.0 [0,2,0,0,0,0|1,0,0]=3 387 B14R1.43 COC1=CC(=CC=C1C(=O)O)C(=O)O CNP0135702.0 [0,2,0,0,0,0|0,0,0]=2 388 B14R1.2023 CNC1=C(C=CC(=C1O)C(=O)N)OC CNP0080829.0 [0,2,0,0,0,0|2,0,0]=4 389 B14R1.2023 COC1=CC=C(C(=C1OC)O)C(=O)C CNP0009527.0 [0,2,0,0,0,0|1,0,0]=3 390 B14R1.2023 COC1=CC=C(C(=C1OC)O)C(=O)O CNP0330955.0 [0,2,0,0,0,0|0,0,0]=2 391 B14R1.2023 COC1=CC=C(C(=C1[N+]#N)[O-])C(=O)O CNP0522030.0 [0,2,0,0,0,0|2,0,0]=4 392 B14R1.2023 COC1=CC=C(C(=O)C1=[N+]=[N-])C(=O)O CNP0479437.0 [0,2,0,0,0,0|2,0,0]=4 393 B14R1.6723 CCOC1=CC=C(C=C1OC)C(=O)O CNP0232195.0 [0,2,0,0,0,0|0,0,0]=2 394 B12R1.283 CC=CC1=CC=CC=C1C(=O)O CNP0476960.0 [0,0,1,1,0,0|2,0,0]=4 395 B12R1.125 O=C(O)C=CC1=CC=CC=C1O CNP0207361.0 [0,0,1,1,0,0|1,0,1]=4 396 B12R2.326 COC1=CC=C2CC(=O)C2=C1 CNP0032157.0 [1,0,0,1,0,0|1,0,0]=3 397 B12R2.44 C=CC1=CC=C2OCOC2=C1 CNP0179510.0 [1,0,0,1,0,0|1,0,0]=3 398 B12R2.44 N#CC1=CC=C2OCOC2=C1 CNP0231839.0 [1,0,0,1,0,0|1,0,1]=4 399 B12R2.44 O=CC1=CC=C2C=COC2=C1 CNP0203335.0 [1,0,0,1,0,0|1,0,1]=4 400 B12R2.44 O=CC1=CC=C2CCCC2=C1 CNP0186232.0 [1,0,0,1,0,0|2,0,0]=4 401 B12R2.44 O=CC1=CC=C2OC=CC2=C1 CNP0118306.0 [1,0,0,1,0,0|1,0,1]=4 402 B12R2.44 O=CC1=CC=C2OCOC2=C1 CNP0179491.0 [1,0,0,1,0,0|0,0,0]=2 403 B12R2.44 O=[14CH]C1=CC=C2OCOC2=C1 CNP0519930.0 [1,0,0,1,0,0|0,0,0]=2 404 B12R2.44 OCC1=CC=C2OCOC2=C1 CNP0392701.0 [1,0,0,1,0,0|0,0,1]=3 405 B14R2.1008 O=C(O)CC1=CC=C2CCOC2=C1 CNP0447471.0 [0,0,0,1,0,1|1,0,0]=3 406 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 CNP0259252.0 [0,0,0,1,0,1|1,0,0]=3 407 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 CNP0369683.0 [0,0,0,1,0,1|0,0,0]=2 408 B14R2.1197 COC1=CC2=C(C=C1Cl)NC(=O)O2 CNP0109655.0 [0,0,0,1,0,1|2,0,0]=4 409 B14R2.24358 O=C(O)C1=CC=C2OCC(C2=C1)O CNP0269611.0 [0,1,0,1,0,0|1,0,0]=3 410 B14R2.966 C=C[C@@H](O)C1=CC=C2OCOC2=C1 CNP0400523.2 [0,1,0,1,0,0|1,0,1]=4 411 B14R2.966 C=C[C@H](O)C1=CC=C2OCOC2=C1 CNP0400523.1 [0,1,0,1,0,0|1,0,1]=4 412 B14R2.966 CCC(=O)C1=CC=C2OCOC2=C1 CNP0238358.0 [0,1,0,1,0,0|1,0,0]=3 413 B14R2.966 CC[C@@H](O)C1=CC=C2OCOC2=C1 CNP0379331.1 [0,1,0,1,0,0|1,0,1]=4 414 B14R2.966 COC(=O)C1=CC=C2CCNC2=C1 CNP0400350.0 [0,1,0,1,0,0|2,0,0]=4 415 B14R2.966 COC(=O)C1=CC=C2OCOC2=C1 CNP0297612.0 [0,1,0,1,0,0|0,0,0]=2 416 B14R2.2167 COC1=CC2=C(OC=C2C=C1C)O CNP0546510.0 [0,1,0,1,0,0|1,0,1]=4 417 B14R2.601 CC(=O)C1=CC=C2O[C@@H](CC2=C1)C CNP0250736.1 [0,1,0,1,0,0|2,0,0]=4 418 B14R2.601 CC(=O)C1=CC=C2O[C@H](CC2=C1)C CNP0250736.2 [0,1,0,1,0,0|2,0,0]=4 419 B14R2.624 CC1=CC2=C(C=C1C(=O)O)OCO2 CNP0446155.0 [0,1,0,1,0,0|0,0,0]=2 420 B14R2.11593 COC1=CC2=C(C=C1OC)C(=O)C2 CNP0052396.0 [0,1,0,1,0,0|1,0,0]=3 421 B14R2.5998 O=C(O)C1=CC=C2OC=CC2=C1O CNP0196554.0 [0,1,0,1,0,0|1,0,1]=4 422 B14R3.8268 O=C1CC2=CC3=C(C=C12)OCO3 CNP0035339.0 [0,0,0,2,0,0|1,0,0]=3 423 B10R1.194 CC1=C(C(=CO1)C(=O)O)O CNP0507263.0 [1,0,0,0,1,0|2,0,0]=4 424 B10R1.31 COC1=CC=C(O1)C(=O)C CNP0311546.0 [1,0,0,0,1,0|2,0,0]=4 425 B10R1.39 COC1=C(OC=C1)C(=O)C CNP0427618.0 [1,0,0,0,1,0|2,0,0]=4 426 B10R1.39 CON1C=CC=C1C(=O)N CNP0430862.0 [1,0,0,0,1,0|2,0,0]=4 427 B12R1.438 CCC1=CC=CC(=C1)OC(=O)C CNP0076431.0 [1,0,0,0,0,1|2,0,0]=4 428 B12R1.438 COC1=CC=CC(=C1)CC(=O)O CNP0272560.0 [1,0,0,0,0,1|0,0,0]=2 429 B12R1.57 COC1=CC(=CC=C1C(=O)C)C CNP0305290.0 [0,0,0,0,1,1|2,0,0]=4 430 B12R1.57 COC1=CC(=CC=C1C(=O)C)O CNP0146399.0 [0,0,0,0,1,1|1,0,0]=3 431 B12R1.57 COC1=CC(=CC=C1C(=O)O)O CNP0174648.0 [0,0,0,0,1,1|0,0,0]=2 432 B12R1.87 COC1=C(C=CC=C1C(=O)O)O CNP0226066.0 [0,0,0,0,1,1|0,0,0]=2 433 B14R1.42 COC1=C(C=CC(C1)C=CC(=O)O)O CNP0554430.0 [0,0,0,0,0,2|0,0,2]=4 434 B14R1.42 COC1=CC(=CC=C1C)C=CC(=O)O CNP0181271.0 [0,0,0,0,0,2|1,0,0]=3 435 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)C CNP0236688.0 [0,0,0,0,0,2|1,0,0]=3 436 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)N CNP0288547.0 [0,0,0,0,0,2|1,0,0]=3 437 B14R1.42 COC1=CC(=CC=C1O)C=CC(=O)O CNP0304940.0 [0,0,0,0,0,2|0,0,0]=2 438 B14R1.42 COC1=CC(=CC=C1O)C=CC(O)O CNP0100968.0 [0,0,0,0,0,2|0,0,2]=4 439 B14R1.42 COC1=CC(=CC=C1O)C=C[N+](=O)[O-] CNP0527150.0 [0,0,0,0,0,2|1,0,1]=4 440 B14R1.42 COC1=CC(=CC=C1O)CCC(=O)C CNP0193523.0 [0,0,0,0,0,2|1,0,0]=3 441 B14R1.42 COC1=CC(=CC=C1O)CCC(=O)O CNP0327265.0 [0,0,0,0,0,2|0,0,0]=2 442 B14R1.42 COC1=CC(=CC=C1O)CC[C@@H](C)O CNP0301157.2 [0,0,0,0,0,2|1,0,1]=4 443 B14R1.42 COC1=CC(=CC=C1O)CC[C@H](C)O CNP0301157.1 [0,0,0,0,0,2|1,0,1]=4 444 B14R1.42 O=CC1=CC(=CC=C1O)C=CC(=O)O CNP0137686.0 [0,0,0,0,0,2|2,0,0]=4