0 B9R1.37 C=C1C(=O)O[C@H]([C@@H]1O)C CNP0480925.1 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.37 C=C1CC(=C(C1=O)C)C CNP0259066.0 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.37 C=C1OC(=C(C1=O)O)C CNP0458882.0 [0,0,0,0,0,0|0,0,2]=2 3 B9R1.37 CC1=C(C(=C(N1)C)C)C CNP0159162.0 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.37 CC1=C(C(=O)C[C@H]1C)O CNP0318056.1 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.37 CC1=C(C(=O)O[C@@H]1C)N CNP0137917.1 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)C CNP0135578.1 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.37 CC1=C(C(=O)[C@@H](C1)C)O CNP0306768.1 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.37 CC1=C(C(=O)[C@@H](O1)C)O CNP0310181.1 [0,0,0,0,0,0|0,0,0]=0 11 B9R1.37 CC1=C(C(=O)[C@H](C1)O)C CNP0357100.1 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.37 CC1=C(C(=O)[C@H](O1)C)O CNP0310181.2 [0,0,0,0,0,0|0,0,0]=0 13 B9R1.37 CC1=C(C(C(=O)O1)O)C CNP0600080.0 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.37 CC1=C([C@@H](OC1=O)O)C CNP0280775.2 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.37 CC1=C([C@H](OC1=O)O)C CNP0280775.1 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.37 CC1=NN(C(=C1I)Cl)C CNP0469987.0 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.37 CC1=NN(C(=O)C1C)C CNP0584590.0 [0,0,0,0,0,0|3,0,1]=4 19 B9R1.37 C[C@@H]1C[C@@H](C(=O)C1=O)C CNP0314513.1 [0,0,0,0,0,0|1,0,2]=3 20 B9R1.37 C[C@@H]1NC(=O)N(C1=O)O CNP0326383.1 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.37 C[C@@H]1OC(=O)C(C1O)O CNP0227310.1 [0,0,0,0,0,0|1,0,3]=4 22 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O CNP0227310.2 [0,0,0,0,0,0|1,0,3]=4 23 B9R1.37 O=C1O[C@H](C(=C1Br)Br)O CNP0200573.1 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.37 O=C1O[C@H](C(=C1Cl)Cl)O CNP0322678.1 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.18 CC1=CC(=C(N1)C)C CNP0194129.0 [1,0,0,0,0,0|2,0,1]=4 26 B8R1.18 CC1=CC(=C(O1)C)C CNP0302629.0 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.18 CC1=CC(=C(O1)C)S CNP0277106.0 [1,0,0,0,0,0|0,1,1]=3 28 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.18 CC1=C[C@@H](N=C1O)O CNP0545516.1 [1,0,0,0,0,0|3,0,0]=4 30 B8R1.18 CC1=C[C@@H](OC1=O)C CNP0153063.2 [1,0,0,0,0,0|2,0,0]=3 31 B8R1.18 CC1=C[C@H](OC1=O)C CNP0153063.1 [1,0,0,0,0,0|2,0,0]=3 32 B8R1.18 CC1=C[C@H](OC1=O)O CNP0160871.1 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.18 CC1=NC(=C(O1)C)C CNP0297316.0 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.18 CC1=N[C@H](O[C@H]1C)C CNP0120246.1 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.18 CC1C=C(C(=O)O1)O CNP0612035.0 [1,0,0,0,0,0|1,0,0]=2 36 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.18 CC1CN(NC1=O)C CNP0529089.0 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.18 C[C@@H]1C=C(C(=O)C1)O CNP0171928.1 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)C CNP0247990.1 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.18 C[C@@H]1C[C@@H](C(=O)O1)O CNP0321716.1 [1,0,0,0,0,0|1,0,2]=4 41 B8R1.18 C[C@@H]1NC(=O)NC1=O CNP0601377.2 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.18 C[C@H]1NC(=O)NC1=O CNP0601377.1 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [1,0,0,0,0,0|1,0,1]=3 45 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.18 O=C1OC(C=C1O)O CNP0205147.0 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.50 CC1=C(C(=N)CC1)O CNP0038308.0 [1,0,0,0,0,0|2,0,0]=3 48 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.50 CC1=C(C(=O)CC1)O CNP0301474.0 [1,0,0,0,0,0|1,0,0]=2 50 B8R1.50 CC1=C(C(=O)CO1)O CNP0262412.0 [1,0,0,0,0,0|0,0,0]=1 51 B8R1.50 CC1=C(C(=O)CS1)O CNP0354400.0 [1,0,0,0,0,0|0,1,0]=2 52 B8R1.50 CC1=C(C(=O)CS1)S CNP0358297.0 [1,0,0,0,0,0|0,2,0]=3 53 B8R1.50 CC1=CCC(=C1C)C CNP0578082.0 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.50 CC1=CC[C@@H](C1=O)C CNP0035485.1 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.50 CC1=CC[C@H](C1=O)C CNP0035485.2 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [1,0,0,0,0,0|1,0,2]=4 57 B8R1.50 CC1SC=C(C1S)O CNP0002608.0 [1,0,0,0,0,0|0,2,1]=4 58 B8R1.50 C[C@H]1CC=C(C1=O)O CNP0292071.1 [1,0,0,0,0,0|1,0,0]=2 59 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [1,0,0,0,0,0|1,0,2]=4 60 B8R1.50 O=C1C=CC(=C1O)O CNP0105932.0 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.50 O=C1CCC(=C1O)O CNP0157820.0 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.50 O=C1CCC(=O)N1O CNP0059109.0 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.50 O=C1OCC(=C1O)O CNP0612147.0 [1,0,0,0,0,0|1,0,1]=3 64 B8R1.50 OC1=COC(=C1O)O CNP0555359.0 [1,0,0,0,0,0|1,0,2]=4 65 B10R1.34 CC=C1OC(=C(C1=O)O)C CNP0081746.0 [0,1,0,0,0,0|0,0,1]=2 66 B10R1.34 CCC1=C(C(=O)C(C1)C)O CNP0233549.0 [0,1,0,0,0,0|1,0,0]=2 67 B10R1.34 CCC1=C(C(=O)[C@H](O1)C)O CNP0251940.1 [0,1,0,0,0,0|0,0,0]=1 68 B10R1.34 CCC1CC(C(=O)C1=O)C CNP0002849.0 [0,1,0,0,0,0|1,0,2]=4 69 B10R1.34 CC[C@@H]1CC(=O)C(=C1C)O CNP0372233.1 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.34 CC[C@H]1OC(=C(C1=O)O)C CNP0248221.1 [0,1,0,0,0,0|0,0,0]=1 71 B10R1.34 CC[C@H]1OC(=O)C(=C1C)O CNP0147555.1 [0,1,0,0,0,0|2,0,0]=3 72 B10R1.34 O=C1O[C@@H](C(=C1O)O)CO CNP0253154.1 [0,1,0,0,0,0|1,0,1]=3 73 B10R1.191 CC1=C(C(=O)[C@@H]([C@H]1C)C)O CNP0291420.1 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.191 CC1=C(C(C(=C1C)C)C)C CNP0153262.0 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.256 CCC1=C(C(=O)C[C@@H]1C)O CNP0105899.1 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.256 COC1=C(O[C@@H](C1=O)C)C CNP0239878.1 [0,1,0,0,0,0|0,0,0]=1 77 B10R1.271 CC1=C(C(=O)C(O1)(C)O)O CNP0538418.0 [0,1,0,0,0,0|0,0,0]=1 78 B10R1.271 CC1=C(C(=O)CC1(C)C)O CNP0380715.0 [0,1,0,0,0,0|3,0,0]=4 79 B10R1.271 CC1=C(C(=O)[C@](S1)(C)O)O CNP0355672.1 [0,1,0,0,0,0|0,1,0]=2 80 B10R1.271 CC1=C([C@@](OC1=O)(C)O)C CNP0259444.1 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.271 CC1CC(C(=O)C1=O)(C)C CNP0178824.0 [0,1,0,0,0,0|1,0,2]=4 82 B10R1.271 CN1C(=O)OC(C1=O)(C)C CNP0157469.0 [0,1,0,0,0,0|3,0,0]=4 83 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [0,0,1,0,0,0|2,0,1]=4 84 B8R0.2 C=C(C)C(=C(Cl)CC)C CNP0076708.0 [0,0,1,0,0,0|3,0,0]=4 85 B8R0.2 CCC(=C(C)C(=O)C)C CNP0598294.0 [0,0,1,0,0,0|2,0,1]=4 86 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [0,0,1,0,0,0|2,0,1]=4 87 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [0,0,1,0,0,0|1,0,2]=4 88 B8R0.2 CNC(=O)N(O)C(=O)O CNP0326331.0 [0,0,1,0,0,0|3,0,0]=4 89 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [0,0,1,0,0,0|2,0,1]=4 90 B8R0.2 COC(=O)N(O)C(=O)C CNP0298264.0 [0,0,1,0,0,0|2,0,1]=4 91 B8R0.2 NCC(=O)[C@H](O)C(=O)O CNP0311404.1 [0,0,1,0,0,0|2,0,1]=4 92 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,0,1,0,0,0|3,0,0]=4 93 B8R0.3 CCOC(=O)C(=CBr)Br CNP0179684.0 [0,0,1,0,0,0|3,0,0]=4 94 B8R0.3 CCOC(=O)C(=CI)I CNP0386420.0 [0,0,1,0,0,0|3,0,0]=4 95 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,0,1,0,0,0|2,0,1]=4 96 B8R0.19 CC=C(C)C=C(C)C=O CNP0259001.0 [0,0,1,0,0,0|2,0,1]=4 97 B8R1.25 O=C1C(=C(C1=O)O)O CNP0489887.0 [0,0,0,0,1,0|2,0,1]=4 98 B10R1.22 CC1=C(C(=O)C[C@@H](C1)O)C CNP0299225.1 [0,0,0,0,0,1|3,0,0]=4 99 B10R1.22 CC1=C(C(=O)C[C@H](O1)O)O CNP0088707.1 [0,0,0,0,0,1|1,0,0]=2 100 B10R1.22 CC1=C(C(=O)NC(=O)N1)O CNP0368070.0 [0,0,0,0,0,1|2,0,1]=4 101 B10R1.22 CC1=CC(=C(C(=C1)C)O)C CNP0321032.0 [0,0,0,0,0,1|2,0,1]=4 102 B10R1.22 CC1=CC(=C(C(=C1)O)C)C CNP0281157.0 [0,0,0,0,0,1|2,0,1]=4 103 B10R1.22 CC1=CC(=C(C(=C1)O)O)C CNP0386654.0 [0,0,0,0,0,1|1,0,2]=4 104 B10R1.22 CC1=CC(=C(C(=O)O1)C)O CNP0371588.0 [0,0,0,0,0,1|2,0,1]=4 105 B10R1.22 CC1=CC(=O)C=C(C1=O)O CNP0106705.0 [0,0,0,0,0,1|2,0,1]=4 106 B10R1.118 CC1=CC(=C(C=C1C)O)C CNP0242109.0 [0,0,0,0,0,1|2,0,1]=4 107 B10R1.118 CC1=CC(=O)C(=CC1=O)O CNP0288982.0 [0,0,0,0,0,1|2,0,1]=4 108 B10R1.118 CC1=CN(C(=O)N=C1O)C CNP0516273.0 [0,0,0,0,0,1|2,0,0]=3 109 B10R1.118 C[C@@H]1O[C@H]([C@H](CC1=O)O)O CNP0321128.2 [0,0,0,0,0,1|1,0,2]=4 110 B10R1.118 C[C@H]1O[C@@H]([C@@H](CC1=O)O)O CNP0321128.1 [0,0,0,0,0,1|1,0,2]=4 111 B10R1.119 CC1=C(C(=O)C(=CO1)C)O CNP0126465.0 [0,0,0,0,0,1|0,0,1]=2 112 B10R1.119 CC1=C(C(=O)C(=CO1)O)O CNP0249032.0 [0,0,0,0,0,1|1,0,1]=3 113 B10R1.119 CC1=C(C(=O)[C@@H](CO1)O)O CNP0283189.1 [0,0,0,0,0,1|1,0,0]=2 114 B10R1.119 CC1=C(C(=O)[C@H](CO1)O)O CNP0283189.2 [0,0,0,0,0,1|1,0,0]=2 115 B10R1.119 CC1=CC=C(C(=C1C)O)C CNP0224100.0 [0,0,0,0,0,1|2,0,1]=4 116 B10R1.119 CC1=CC=C(C(=C1O)O)C CNP0183636.0 [0,0,0,0,0,1|1,0,2]=4 117 B10R1.119 C[C@H]1OCC(=O)[C@@H](C1=O)O CNP0447619.1 [0,0,0,0,0,1|1,0,1]=3 118 B7R0.2 CC(=O)OC(C)C=O CNP0528164.0 [1,0,1,0,0,0|0,0,1]=3 119 B7R0.2 CCC(=CC(=O)C)C CNP0380051.0 [1,0,1,0,0,0|1,0,1]=4 120 B7R0.2 CCC(=CC(=O)O)C CNP0340018.0 [1,0,1,0,0,0|2,0,0]=4 121 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [1,0,1,0,0,0|1,0,0]=3 122 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,0,1,0,0,0|1,0,1]=4 123 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [1,0,1,0,0,0|1,0,1]=4 124 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [1,0,1,0,0,0|2,0,0]=4 125 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [1,0,1,0,0,0|2,0,0]=4 126 B7R0.5 C=C(C)C(C)C=CC CNP0579176.0 [1,0,1,0,0,0|2,0,0]=4 127 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [1,0,1,0,0,0|2,0,0]=4 128 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [1,0,1,0,0,0|1,0,0]=3 129 B7R0.5 C=CCC(C)C(=O)O CNP0293941.0 [1,0,1,0,0,0|1,0,1]=4 130 B7R0.5 CC(=CCO)C(=O)O CNP0200165.0 [1,0,1,0,0,0|2,0,0]=4 131 B7R0.5 CC=CC(=O)C(=O)O CNP0553247.0 [1,0,1,0,0,0|1,0,1]=4 132 B7R0.5 CC=CC(C)C(=O)O CNP0085321.0 [1,0,1,0,0,0|1,0,0]=3 133 B7R0.5 CCC=C(C)C(=O)O CNP0133224.0 [1,0,1,0,0,0|1,0,0]=3 134 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,0,1,0,0,0|2,0,0]=4 135 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,0,1,0,0,0|0,0,2]=4 136 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,0,1,0,0,0|0,0,2]=4 137 B7R0.5 CCC[C@@H](C)C(=O)O CNP0218134.2 [1,0,1,0,0,0|1,0,1]=4 138 B7R0.5 CCC[C@H](C)C(=O)O CNP0218134.1 [1,0,1,0,0,0|1,0,1]=4 139 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,0,1,0,0,0|2,0,0]=4 140 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [1,0,1,0,0,0|1,0,1]=4 141 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [1,0,1,0,0,0|1,0,1]=4 142 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [1,0,1,0,0,0|0,0,2]=4 143 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [1,0,1,0,0,0|1,0,1]=4 144 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [1,0,1,0,0,0|1,0,0]=3 145 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [1,0,1,0,0,0|2,0,0]=4 146 B7R0.10 CCC(=O)C(=CN)C CNP0051930.0 [1,0,1,0,0,0|2,0,0]=4 147 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [1,0,1,0,0,0|0,0,2]=4 148 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [1,0,1,0,0,0|2,0,0]=4 149 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [1,0,1,0,0,0|2,0,0]=4 150 B7R0.16 C=C(C)C(=O)C(C)C CNP0611996.0 [1,0,1,0,0,0|2,0,0]=4 151 B7R0.16 CC(=C(O)C(=O)O)C CNP0081972.0 [1,0,1,0,0,0|2,0,0]=4 152 B7R0.16 CC(=O)C(=N)C(=O)O CNP0486933.0 [1,0,1,0,0,0|2,0,0]=4 153 B7R0.16 CC(=O)C(=O)C(C)C CNP0264212.0 [1,0,1,0,0,0|1,0,1]=4 154 B7R0.16 CC(C)C(=O)C(=O)O CNP0207859.0 [1,0,1,0,0,0|2,0,0]=4 155 B7R0.16 CC(C)C(=O)C(C)O CNP0291790.0 [1,0,1,0,0,0|1,0,1]=4 156 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [1,0,1,0,0,0|1,0,0]=3 157 B7R0.7 CC(=CC=O)CCO CNP0162817.0 [1,0,1,0,0,0|2,0,0]=4 158 B7R0.7 CC=CC(=CC=O)C CNP0360026.0 [1,0,1,0,0,0|1,0,1]=4 159 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [1,0,1,0,0,0|2,0,0]=4 160 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [1,0,1,0,0,0|2,0,0]=4 161 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [1,0,1,0,0,0|2,0,0]=4 162 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [1,0,1,0,0,0|2,0,0]=4 163 B7R1.2 CC1=CC(=CO1)S CNP0229693.0 [2,0,0,0,0,0|0,1,1]=4 164 B7R1.2 CC1=CC(=NO1)O CNP0075615.0 [2,0,0,0,0,0|1,0,1]=4 165 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [2,0,0,0,0,0|1,0,0]=3 166 B7R1.2 CC1=CC(=O)CO1 CNP0257916.0 [2,0,0,0,0,0|0,0,0]=2 167 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [2,0,0,0,0,0|2,0,0]=4 168 B7R1.2 CC1=CC(=S)CC1 CNP0042519.0 [2,0,0,0,0,0|1,1,0]=4 169 B7R1.2 CC1=CC=C(N1)C CNP0293795.0 [2,0,0,0,0,0|1,0,1]=4 170 B7R1.2 CC1=CC=C(O1)C CNP0204172.0 [2,0,0,0,0,0|0,0,1]=3 171 B7R1.2 CC1=CC=C(S1)C CNP0108172.0 [2,0,0,0,0,0|0,1,1]=4 172 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [2,0,0,0,0,0|2,0,0]=4 173 B7R1.2 CC1=CN=C(O1)C CNP0342440.0 [2,0,0,0,0,0|1,0,1]=4 174 B7R1.2 CC1=COC(=C1)C CNP0386095.0 [2,0,0,0,0,0|1,0,1]=4 175 B7R1.2 CC1=NN(C=C1)C CNP0605610.0 [2,0,0,0,0,0|2,0,0]=4 176 B7R1.2 CC1=NOC(=C1)C CNP0609091.0 [2,0,0,0,0,0|2,0,0]=4 177 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [2,0,0,0,0,0|1,0,1]=4 178 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [2,0,0,0,0,0|1,0,0]=3 179 B7R1.2 CC1C=CC(O1)C CNP0611535.0 [2,0,0,0,0,0|0,0,1]=3 180 B7R1.2 O=C1C=C(CO1)O CNP0181857.0 [2,0,0,0,0,0|1,0,1]=4 181 B7R1.4 CC1=C(C=CO1)S CNP0164644.0 [2,0,0,0,0,0|0,1,1]=4 182 B7R1.4 CC1=C(CCO1)S CNP0002471.0 [2,0,0,0,0,0|0,1,1]=4 183 B7R1.4 CC1=C(OC=C1)C CNP0003373.0 [2,0,0,0,0,0|1,0,1]=4 184 B7R1.4 CC1=CCCC1=O CNP0196465.0 [2,0,0,0,0,0|2,0,0]=4 185 B7R1.4 CC1=CCOC1=O CNP0216253.0 [2,0,0,0,0,0|2,0,0]=4 186 B7R1.4 CN1CC=CC1=O CNP0611983.0 [2,0,0,0,0,0|2,0,0]=4 187 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [2,0,0,0,0,0|0,0,2]=4 188 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [2,0,0,0,0,0|0,0,2]=4 189 B7R1.4 O=C1C=CCC1=O CNP0612212.0 [2,0,0,0,0,0|1,0,1]=4 190 B7R1.4 O=C1CCC=C1O CNP0104225.0 [2,0,0,0,0,0|1,0,0]=3 191 B7R1.4 O=C1OCC=C1O CNP0541078.0 [2,0,0,0,0,0|1,0,0]=3 192 B7R1.4 OC1=C(OC=C1)O CNP0548112.0 [2,0,0,0,0,0|1,0,1]=4 193 B9R0.6 C=C(C(=O)OCC)[C@@H](C)O CNP0184419.1 [0,1,1,0,0,0|1,0,1]=4 194 B9R0.23 CSC(=O)C(C)OC(=O)C CNP0019263.0 [0,1,1,0,0,0|2,0,0]=4 195 B9R0.42 CC(C=O)OC(C)C(=O)O CNP0502212.0 [0,1,1,0,0,0|0,0,1]=3 196 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.22 CC1C=C(C(=O)O1)CO CNP0506696.0 [1,1,0,0,0,0|1,0,0]=3 198 B9R1.22 CSC1=C(OC(=C1)C)C CNP0290241.0 [1,1,0,0,0,0|0,1,1]=4 199 B9R1.22 O=C1C=C(C(O1)CO)O CNP0517348.0 [1,1,0,0,0,0|1,0,1]=4 200 B9R1.23 CC1=CC(OC1=O)CCl CNP0359086.0 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.23 CC[C@H]1C=C(C(=O)C1)O CNP0284446.1 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.23 COC1=CC(=O)N(C1)C CNP0017529.0 [1,1,0,0,0,0|2,0,0]=4 203 B9R1.36 CC1=CC(N=C1O)(C)C CNP0570737.0 [1,1,0,0,0,0|2,0,0]=4 204 B9R1.36 CC1=C[C@@](OC1=O)(C)O CNP0149675.1 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.38 CC1(OC(=O)NC1=O)C CNP0571707.0 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.38 CC1=CC(=O)C(C1)(C)C CNP0143665.0 [1,1,0,0,0,0|1,0,0]=3 207 B9R1.27 CC1=C(C(=O)CC1)CO CNP0391930.0 [1,1,0,0,0,0|1,0,0]=3 208 B9R1.27 CC1=C(C(=O)OC1)CO CNP0215537.0 [1,1,0,0,0,0|2,0,0]=4 209 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [1,1,0,0,0,0|1,0,0]=3 211 B9R1.132 CCC1=C(C(=N)CC1)O CNP0002638.0 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [1,1,0,0,0,0|1,0,0]=3 213 B9R1.138 CC1(OCC(C1=O)O)O CNP0440658.0 [1,1,0,0,0,0|0,0,2]=4 214 B11R1.32 CC1=C(C(=O)[C@@H]([C@@H](C1)O)O)O CNP0210280.1 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.1361 CC1=C(C(=O)CC(C1)(C)C)O CNP0048893.0 [0,1,0,0,0,1|1,0,0]=3 216 B11R1.277 CO[C@@H]1O[C@H](C(=O)C[C@@H]1O)C CNP0208709.1 [0,1,0,0,0,1|0,0,2]=4 217 B11R1.72 COC1=C(OC[C@@H](C1=O)O)C CNP0176204.1 [0,1,0,0,0,1|1,0,0]=3 218 B11R1.278 CO[C@@H]1COC(=C(C1=O)O)C CNP0350771.1 [0,1,0,0,0,1|0,0,0]=2 219 B11R1.278 O=C1C(=COC(=C1O)CO)O CNP0142148.0 [0,1,0,0,0,1|1,0,1]=4 220 B11R1.186 CC=CC1=C(C(=O)C(O1)O)C CNP0134088.0 [0,2,0,0,0,0|2,0,0]=4 221 B11R1.186 CCC=C1OC(=C(C1=O)O)C CNP0451917.0 [0,2,0,0,0,0|0,0,1]=3 222 B11R1.186 CCCC1=C(C(=O)C(O1)O)C CNP0084118.0 [0,2,0,0,0,0|2,0,0]=4 223 B11R1.186 CCCC1CC(=C(C1=O)O)C CNP0333773.0 [0,2,0,0,0,0|1,0,0]=3 224 B11R1.186 CCCC1OC(=C(C1=O)O)C CNP0442329.0 [0,2,0,0,0,0|0,0,0]=2 225 B11R1.470 CCC1C(=C(C(=O)C1C)O)C CNP0178231.0 [0,2,0,0,0,0|1,0,0]=3 226 B11R1.470 COC1=C(C(=O)N(C1=O)C)O CNP0126036.0 [0,2,0,0,0,0|2,0,0]=4 227 B11R1.672 C[C@H](O)[C@H]1OC(=O)C(=C1O)O CNP0602306.1 [0,2,0,0,0,0|1,0,1]=4 228 B11R1.977 CCC1=C(C(=O)[C@H](C1)CC)O CNP0152311.1 [0,2,0,0,0,0|1,0,0]=3 229 B11R1.673 CC(=O)C1=C(OC(C1=O)C)C CNP0337023.0 [0,2,0,0,0,0|0,0,1]=3 230 B11R1.673 CC1=C([C@@H](OC1=O)C)C(=O)O CNP0355354.2 [0,2,0,0,0,0|2,0,0]=4 231 B11R1.673 CC1=C([C@H](OC1=O)C)C(=O)O CNP0355354.1 [0,2,0,0,0,0|2,0,0]=4 232 B9R1.3 CC1=C(C(=O)C=CO1)O CNP0287207.0 [0,0,1,1,0,0|0,0,2]=4 233 B9R1.3 CC1=C(C(=O)CCO1)O CNP0273822.0 [0,0,1,1,0,0|0,0,0]=2 234 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,0,1,1,0,0|0,0,2]=4 235 B9R1.125 CC1(CC=C(O1)O)C=O CNP0546690.0 [0,0,1,1,0,0|2,0,0]=4 236 B9R1.125 CC1=CCC(O1)(C)C=O CNP0561487.0 [0,0,1,1,0,0|1,0,0]=3 237 B11R2.1053 C=C1C[C@]2(O[C@]2(C1=O)C)C CNP0317458.1 [0,0,0,1,0,1|1,0,1]=4 238 B9R1.34 CC1=CC(=CC(=C1)O)C CNP0206447.0 [1,0,0,0,0,1|1,0,1]=4 239 B9R1.34 CC1=CC(=CC(=O)O1)O CNP0150285.0 [1,0,0,0,0,1|1,0,1]=4 240 B9R1.34 CC1=CC(=O)C=C(O1)O CNP0580633.0 [1,0,0,0,0,1|1,0,1]=4 241 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [1,0,0,0,0,1|1,0,0]=3 242 B9R1.34 CC1=CC(=O)OC(=C1)C CNP0079979.0 [1,0,0,0,0,1|1,0,1]=4 243 B9R1.34 CC1=CC(=S)C=C(O1)C CNP0070174.0 [1,0,0,0,0,1|0,1,1]=4 244 B9R1.34 CC1OC(=O)CC(=O)O1 CNP0094345.0 [1,0,0,0,0,1|1,0,1]=4 245 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [1,0,0,0,0,1|1,0,1]=4 246 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [1,0,0,0,0,1|1,0,1]=4