0 B9R0.6 C=C(C(=O)OCC)[C@@H](C)O CNP0184419.1 [0,0,0,0,0,0|0,0,2]=2 1 B9R0.6 CCC[C@@H](O)[C@@H](C)[C@@H](C)O CNP0066149.2 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.6 CCC[C@@H](O)[C@H](C)[C@@H](C)O CNP0066149.1 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.6 CCC[C@H](O)[C@@H](C)[C@@H](C)O CNP0066149.3 [0,0,0,0,0,0|1,0,2]=3 4 B9R0.6 CCC[C@H](O)[C@H](C)[C@@H](C)O CNP0066149.4 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [0,0,0,0,0,0|2,0,1]=3 6 B9R0.6 CCOC(=O)C(=O)N(C)C CNP0355375.0 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.6 CCOC(=O)C(C)C(=O)C CNP0103680.0 [0,0,0,0,0,0|0,0,2]=2 8 B9R0.6 CCOC(=O)C(C)C(C)S CNP0164740.0 [0,0,0,0,0,0|0,1,0]=1 9 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [0,0,0,0,0,0|2,0,0]=2 10 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [0,0,0,0,0,0|2,0,0]=2 11 B8R0.2 C=C(C(=O)OC)[C@H](C)O CNP0274042.1 [1,0,0,0,0,0|0,0,2]=3 12 B8R0.2 C=C(CC)C(C)C(=O)C CNP0579299.0 [1,0,0,0,0,0|1,0,2]=4 13 B8R0.2 CCC(=O)C(C)C(=O)O CNP0082310.0 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.2 CCC(=O)[C@@H](C)C(=O)C CNP0050073.1 [1,0,0,0,0,0|0,0,2]=3 15 B8R0.2 CC[C@H](C)[C@H](C)C(C)C CNP0324956.1 [1,0,0,0,0,0|2,0,1]=4 16 B8R0.2 COC(=O)C(=O)C(C)C CNP0337448.0 [1,0,0,0,0,0|2,0,1]=4 17 B8R0.2 COC(=O)C(C)C(C)C CNP0354391.0 [1,0,0,0,0,0|1,0,0]=2 18 B8R0.2 COC(=O)C(O)C(C)C CNP0612001.0 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.2 COC(=O)[C@@H](C)[C@H](C)O CNP0193149.3 [1,0,0,0,0,0|0,0,0]=1 20 B8R0.2 COC(=O)[C@@H](N)C(C)C CNP0369647.2 [1,0,0,0,0,0|2,0,0]=3 21 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O CNP0109671.2 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O CNP0109671.1 [1,0,0,0,0,0|1,0,0]=2 23 B8R0.2 COC(=O)[C@H](C)[C@@H](C)O CNP0193149.2 [1,0,0,0,0,0|0,0,0]=1 24 B8R0.2 COC(=O)[C@H](C)[C@H](C)O CNP0193149.1 [1,0,0,0,0,0|0,0,0]=1 25 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [1,0,0,0,0,0|1,0,1]=3 26 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [1,0,0,0,0,0|1,0,1]=3 27 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [1,0,0,0,0,0|0,0,2]=3 28 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,0,0,0,0,0|2,0,1]=4 29 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [1,0,0,0,0,0|1,0,0]=2 30 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [1,0,0,0,0,0|1,0,1]=3 34 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [1,0,0,0,0,0|1,0,1]=3 35 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [1,0,0,0,0,0|0,0,2]=3 36 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [1,0,0,0,0,0|0,0,0]=1 37 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [1,0,0,0,0,0|1,0,0]=2 38 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [1,0,0,0,0,0|1,1,0]=3 39 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [1,0,0,0,0,0|0,0,0]=1 40 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [1,0,0,0,0,0|1,0,0]=2 41 B8R0.3 CCOC(=O)[C@H](O)C#N CNP0342133.1 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,0,0,0,0,0|1,0,2]=4 43 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [1,0,0,0,0,0|2,0,1]=4 44 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [1,0,0,0,0,0|2,0,0]=3 45 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [1,0,0,0,0,0|3,0,0]=4 46 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [1,0,0,0,0,0|1,0,2]=4 48 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [1,0,0,0,0,0|0,0,2]=3 49 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [1,0,0,0,0,0|1,0,2]=4 50 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [1,0,0,0,0,0|1,0,1]=3 51 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [1,0,0,0,0,0|1,0,0]=2 52 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [1,0,0,0,0,0|0,1,0]=2 53 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [1,0,0,0,0,0|1,0,0]=2 54 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [1,0,0,0,0,0|0,0,0]=1 55 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [1,0,0,0,0,0|0,0,0]=1 56 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [1,0,0,0,0,0|2,0,0]=3 57 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [1,0,0,0,0,0|2,0,0]=3 58 B8R0.8 CCCCC(C)C(C)O CNP0576156.0 [1,0,0,0,0,0|1,0,1]=3 59 B8R0.8 CCCC[C@H](C)C(C)C CNP0331704.1 [1,0,0,0,0,0|2,0,1]=4 60 B10R0.13 CC(=O)OC(=O)[C@H](O)C(C)C CNP0276510.1 [0,1,0,0,0,0|2,0,1]=4 61 B10R0.13 CC(=O)[C@H](C)C(=O)CC(C)C CNP0277115.1 [0,1,0,0,0,0|1,0,2]=4 62 B10R0.35 CCOC(=O)C(O)C(C)CC CNP0296108.0 [0,1,0,0,0,0|2,0,0]=3 63 B10R0.36 CCOC(=O)C(C)(C)C(C)O CNP0562929.0 [0,1,0,0,0,0|0,0,0]=1 64 B10R1.22 C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)O)O CNP0502083.1 [0,0,0,1,0,0|1,0,2]=4 65 B10R1.61 CC(C)C1CCCCC1=O CNP0486183.0 [0,0,0,1,0,0|2,0,0]=3 66 B10R1.61 CC(C)C1OCCNC1=O CNP0105827.0 [0,0,0,1,0,0|3,0,0]=4 67 B10R1.61 CC1=C(CCCO1)C(C)C CNP0344846.0 [0,0,0,1,0,0|2,0,1]=4 68 B10R1.291 CC(=O)[C@@]1(CCOC1=O)C CNP0364399.2 [0,0,0,1,0,0|0,0,2]=3 69 B10R1.291 CC(=O)[C@]1(CCOC1=O)C CNP0364399.1 [0,0,0,1,0,0|0,0,2]=3 70 B10R1.339 C=C1C[C@H](C([C@H]1C)(C)C)C CNP0483236.1 [0,0,0,1,0,0|3,0,0]=4 71 B10R0.26 CCCC(=O)OC(C)C(=O)C CNP0002917.0 [0,0,0,0,0,1|1,0,2]=4 72 B10R0.26 CCOC(=O)C=C(C)C(C)C CNP0344485.0 [0,0,0,0,0,1|1,0,1]=3 73 B10R0.26 CCOC(=O)CC(C)C(=O)O CNP0119918.0 [0,0,0,0,0,1|1,0,1]=3 74 B10R0.26 CCOC(=O)C[C@@H](O)C(=O)O CNP0340887.1 [0,0,0,0,0,1|2,0,1]=4 75 B10R0.32 CCOC(=O)[C@@H](N)CC(C)C CNP0332739.1 [0,0,0,0,0,1|2,0,0]=3 76 B10R0.32 CCOC(=O)[C@@H](O)CC(C)C CNP0389022.1 [0,0,0,0,0,1|2,0,0]=3 77 B10R0.32 CCOC(=O)[C@H](C)C[C@H](C)O CNP0280330.1 [0,0,0,0,0,1|0,0,0]=1 78 B10R0.32 CCOC(=O)[C@H](C)OC(=O)C CNP0114784.1 [0,0,0,0,0,1|0,0,2]=3 79 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [2,0,0,0,0,0|1,0,1]=4 80 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [2,0,0,0,0,0|1,0,0]=3 81 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [2,0,0,0,0,0|0,0,2]=4 83 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [2,0,0,0,0,0|1,0,1]=4 84 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [2,0,0,0,0,0|1,0,0]=3 85 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [2,0,0,0,0,0|0,1,0]=3 86 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [2,0,0,0,0,0|1,0,0]=3 88 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [2,0,0,0,0,0|0,0,0]=2 89 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [2,0,0,0,0,0|2,0,0]=4 90 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [2,0,0,0,0,0|1,1,0]=4 92 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [2,0,0,0,0,0|0,0,2]=4 93 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [2,0,0,0,0,0|0,0,2]=4 94 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [2,0,0,0,0,0|1,0,0]=3 95 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [2,0,0,0,0,0|1,0,0]=3 96 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [2,0,0,0,0,0|1,0,0]=3 97 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [2,0,0,0,0,0|1,0,1]=4 98 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [2,0,0,0,0,0|0,0,2]=4 99 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [2,0,0,0,0,0|2,0,0]=4 100 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [2,0,0,0,0,0|0,0,0]=2 101 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [2,0,0,0,0,0|0,1,0]=3 102 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [2,0,0,0,0,0|2,0,0]=4 103 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [2,0,0,0,0,0|0,0,0]=2 104 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [2,0,0,0,0,0|1,0,0]=3 105 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [2,0,0,0,0,0|2,0,0]=4 106 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [2,0,0,0,0,0|0,0,0]=2 107 B7R0.5 CCOC(C)C(=O)C CNP0496996.0 [2,0,0,0,0,0|0,0,2]=4 108 B7R0.5 CCSC(C)C(C)C CNP0213489.0 [2,0,0,0,0,0|1,1,0]=4 109 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [2,0,0,0,0,0|0,0,2]=4 110 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [2,0,0,0,0,0|0,0,2]=4 111 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [2,0,0,0,0,0|0,0,2]=4 112 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [2,0,0,0,0,0|1,0,1]=4 113 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [2,0,0,0,0,0|0,0,0]=2 114 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [2,0,0,0,0,0|0,0,0]=2 115 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [2,0,0,0,0,0|1,0,0]=3 116 B7R0.10 CCC(S)C(C)CO CNP0361612.0 [2,0,0,0,0,0|0,1,1]=4 117 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [2,0,0,0,0,0|0,0,0]=2 118 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [2,0,0,0,0,0|1,0,1]=4 119 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [2,0,0,0,0,0|0,0,2]=4 120 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [2,0,0,0,0,0|0,0,0]=2 121 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [2,0,0,0,0,0|1,0,0]=3 122 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [2,0,0,0,0,0|1,0,0]=3 123 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [2,0,0,0,0,0|0,0,0]=2 124 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [2,0,0,0,0,0|1,0,0]=3 125 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [2,0,0,0,0,0|1,1,0]=4 126 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [2,0,0,0,0,0|1,0,0]=3 127 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [2,0,0,0,0,0|0,0,2]=4 128 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [2,0,0,0,0,0|1,1,0]=4 129 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [2,0,0,0,0,0|1,0,0]=3 130 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [2,0,0,0,0,0|2,0,0]=4 131 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [2,0,0,0,0,0|2,0,0]=4 132 B7R0.16 C=C(C(=O)O)[C@@H](C)O CNP0180552.2 [2,0,0,0,0,0|0,0,2]=4 133 B7R0.16 C=C(C(=O)O)[C@H](C)O CNP0180552.1 [2,0,0,0,0,0|0,0,2]=4 134 B7R0.16 CC(=O)C(C)C(=O)C CNP0423013.0 [2,0,0,0,0,0|0,0,2]=4 135 B7R0.16 CC(=O)C(C)C(=O)O CNP0002342.0 [2,0,0,0,0,0|0,0,2]=4 136 B7R0.16 CC(=O)C(S)C(C)C CNP0012295.0 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.16 CC(=O)N(C)C(C)C CNP0111110.0 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.16 CC(=O)[C@@H](Br)C(C)C CNP0046833.1 [2,0,0,0,0,0|2,0,0]=4 139 B7R0.16 CC(=O)[C@H](Br)C(C)C CNP0046833.2 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.16 CC(C(=O)O)C(=O)O CNP0415806.0 [2,0,0,0,0,0|1,0,1]=4 141 B7R0.16 CC(C)[C@@H](N)C(=O)O CNP0152507.2 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.16 CC(C)[C@@H](O)C(=O)O CNP0267024.1 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.16 CC(C)[C@H](N)C(=O)O CNP0152507.1 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.16 CC(C)[C@H](O)C(=O)O CNP0267024.2 [2,0,0,0,0,0|2,0,0]=4 145 B7R0.16 CC(O)C(O)C(=O)N CNP0028681.0 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.16 C[C@@H](Br)[C@@H](Br)C(=O)O CNP0447694.2 [2,0,0,0,0,0|2,0,0]=4 147 B7R0.16 C[C@@H](Br)[C@H](Br)C(=O)O CNP0447694.4 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.16 C[C@@H](C(=O)O)N(C)C CNP0605647.1 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O CNP0271750.2 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O CNP0271750.3 [2,0,0,0,0,0|2,0,0]=4 151 B7R0.16 C[C@@H](O)C(=O)C(=O)O CNP0287171.1 [2,0,0,0,0,0|1,0,1]=4 152 B7R0.16 C[C@@H](O)C(N)C(=O)O CNP0361197.2 [2,0,0,0,0,0|1,0,0]=3 153 B7R0.16 C[C@@H](O)[C@@H](C)C(=O)O CNP0176980.1 [2,0,0,0,0,0|0,0,0]=2 154 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O CNP0361197.5 [2,0,0,0,0,0|1,0,0]=3 155 B7R0.16 C[C@@H](O)[C@@H](O)C(=O)O CNP0082312.1 [2,0,0,0,0,0|1,0,0]=3 156 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CNP0361197.1 [2,0,0,0,0,0|1,0,0]=3 157 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O CNP0082312.2 [2,0,0,0,0,0|1,0,0]=3 158 B7R0.16 C[C@@H](S)[C@@H](N)C(=O)O CNP0290431.3 [2,0,0,0,0,0|1,1,0]=4 159 B7R0.16 C[C@@H](S)[C@H](N)C(=O)O CNP0290431.1 [2,0,0,0,0,0|1,1,0]=4 160 B7R0.16 C[C@H](Br)[C@@H](Br)C(=O)O CNP0447694.1 [2,0,0,0,0,0|2,0,0]=4 161 B7R0.16 C[C@H](Br)[C@H](Br)C(=O)O CNP0447694.3 [2,0,0,0,0,0|2,0,0]=4 162 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O CNP0176980.3 [2,0,0,0,0,0|0,0,0]=2 163 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O CNP0271750.4 [2,0,0,0,0,0|2,0,0]=4 164 B7R0.16 C[C@H](N)[C@H](N)C(=O)O CNP0271750.1 [2,0,0,0,0,0|2,0,0]=4 165 B7R0.16 C[C@H](O)[C@@H](C)C(=O)O CNP0176980.2 [2,0,0,0,0,0|0,0,0]=2 166 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O CNP0361197.4 [2,0,0,0,0,0|1,0,0]=3 167 B7R0.16 C[C@H](O)[C@H](C)C(=O)O CNP0176980.4 [2,0,0,0,0,0|0,0,0]=2 168 B7R0.16 C[C@H](O)[C@H](N)C(=O)N CNP0419355.1 [2,0,0,0,0,0|2,0,0]=4 169 B7R0.16 C[C@H](O)[C@H](N)C(=O)O CNP0361197.3 [2,0,0,0,0,0|1,0,0]=3 170 B7R0.16 C[C@H](S)[C@@H](N)C(=O)O CNP0290431.2 [2,0,0,0,0,0|1,1,0]=4 171 B7R0.16 C[C@H](S)[C@H](N)C(=O)O CNP0290431.4 [2,0,0,0,0,0|1,1,0]=4 172 B7R0.16 [13CH3][13CH]([13CH3])[13C@H]([15NH2])[13C](=O)O CNP0152507.4 [2,0,0,0,0,0|2,0,0]=4 173 B7R0.3 CCCC=C(C)CC CNP0263169.0 [2,0,0,0,0,0|1,0,1]=4 174 B7R0.3 CCCCC(C)CO CNP0563062.0 [2,0,0,0,0,0|1,0,1]=4 175 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [2,0,0,0,0,0|1,0,1]=4 176 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [2,0,0,0,0,0|1,0,1]=4 177 B7R0.3 CCCC[C@H](C)CO CNP0563062.1 [2,0,0,0,0,0|1,0,1]=4 178 B7R0.3 CCOO[C@@H](C)OO CNP0317567.1 [2,0,0,0,0,0|2,0,0]=4 179 B7R0.3 CCOO[C@H](C)OO CNP0317567.2 [2,0,0,0,0,0|2,0,0]=4 180 B7R0.3 CCSSC(C)CC CNP0075907.0 [2,0,0,0,0,0|1,1,0]=4 181 B7R0.7 C=C(CCC)CCC CNP0515689.0 [2,0,0,0,0,0|2,0,0]=4 182 B7R0.7 C=C(OCC)OCC CNP0510072.0 [2,0,0,0,0,0|2,0,0]=4 183 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [2,0,0,0,0,0|0,0,2]=4 184 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [2,0,0,0,0,0|1,0,1]=4 185 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [2,0,0,0,0,0|0,0,2]=4 186 B7R0.7 CCC=C(C)CCC CNP0345457.0 [2,0,0,0,0,0|2,0,0]=4 187 B7R0.7 CCCC(=O)CCC CNP0310318.0 [2,0,0,0,0,0|1,0,0]=3 188 B7R0.7 CCCC(=O)OCC CNP0232050.0 [2,0,0,0,0,0|0,0,0]=2 189 B7R0.7 CCCC(=S)OCC CNP0612025.0 [2,0,0,0,0,0|0,1,0]=3 190 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [2,0,0,0,0,0|1,0,1]=4 191 B7R0.7 CCOC(=O)CCS CNP0347470.0 [2,0,0,0,0,0|0,1,0]=3 192 B7R0.7 CCOC(=O)CNC CNP0575591.0 [2,0,0,0,0,0|1,0,0]=3 193 B7R0.7 CCOC(=O)CSC CNP0330528.0 [2,0,0,0,0,0|1,0,0]=3 194 B7R0.7 CCOC(=O)OCC CNP0167765.0 [2,0,0,0,0,0|1,0,0]=3 195 B7R0.7 CCOP(=O)OCC CNP0575132.0 [2,0,0,0,0,0|2,0,0]=4 196 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [2,0,0,0,0,0|1,0,0]=3 197 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [2,0,0,0,0,0|1,0,0]=3 198 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [2,0,0,0,0,0|1,0,0]=3 199 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [2,0,0,0,0,0|1,0,1]=4 200 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [2,0,0,0,0,0|1,0,1]=4 201 B7R0.4 CCOCCC(C)C CNP0032749.0 [2,0,0,0,0,0|1,0,1]=4 202 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C CNP0202809.1 [1,1,0,0,0,0|2,0,0]=4 203 B9R0.27 C=C(C(=O)OC)[C@@H](O)CO CNP0233477.1 [1,1,0,0,0,0|0,0,2]=4 204 B9R0.27 C=C(C(=O)OC)[C@H](O)CO CNP0233477.2 [1,1,0,0,0,0|0,0,2]=4 205 B9R0.27 CCC(=O)[C@@H](C)[C@@H](O)CC CNP0412913.2 [1,1,0,0,0,0|0,0,0]=2 206 B9R0.27 CCC(=O)[C@H](C)[C@H](O)CC CNP0412913.1 [1,1,0,0,0,0|0,0,0]=2 207 B9R0.27 CC[C@@H](O)[C@@H](C)C(=O)OC CNP0229138.1 [1,1,0,0,0,0|0,0,0]=2 208 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC CNP0385653.2 [1,1,0,0,0,0|2,0,0]=4 209 B9R0.27 CC[C@H](C)[C@H](O)C(=O)OC CNP0192892.1 [1,1,0,0,0,0|2,0,0]=4 210 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO CNP0266174.1 [1,1,0,0,0,0|2,0,0]=4 211 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO CNP0266174.4 [1,1,0,0,0,0|2,0,0]=4 212 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO CNP0266174.2 [1,1,0,0,0,0|2,0,0]=4 213 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO CNP0266174.3 [1,1,0,0,0,0|2,0,0]=4 214 B9R0.29 CCC(=O)C(CC)C(=O)O CNP0333433.0 [1,1,0,0,0,0|1,0,1]=4 215 B9R0.29 CN[C@H](C(=O)OC)C(C)C CNP0088244.1 [1,1,0,0,0,0|1,0,0]=3 216 B9R0.79 CC(=O)[C@@H](C)C(=O)C(C)C CNP0250974.2 [1,1,0,0,0,0|0,0,2]=4 217 B9R0.79 CC(=O)[C@H](C)C(=O)C(C)C CNP0250974.1 [1,1,0,0,0,0|0,0,2]=4 218 B9R0.8 CC=C(C)C(=O)OCCC CNP0003448.0 [1,1,0,0,0,0|0,0,2]=4 219 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [1,1,0,0,0,0|0,0,0]=2 220 B9R0.8 CC[C@@H](C)C(=O)SCSC CNP0147868.1 [1,1,0,0,0,0|0,1,0]=3 221 B9R0.19 CCOC(=O)C(C)(O)CC CNP0222840.0 [1,1,0,0,0,0|0,0,0]=2 222 B9R0.23 CC=C(C)C(=O)OC(C)C CNP0322856.0 [1,1,0,0,0,0|0,0,2]=4 223 B9R0.23 CC[C@@H](C)C(=O)OC(C)C CNP0190185.1 [1,1,0,0,0,0|0,0,0]=2 224 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [1,1,0,0,0,0|0,0,1]=3 225 B9R0.35 C=C=CC(C)C(=O)OCC CNP0002840.0 [1,1,0,0,0,0|0,0,2]=4 226 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [1,1,0,0,0,0|0,0,1]=3 227 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [1,1,0,0,0,0|0,0,1]=3 228 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [1,1,0,0,0,0|2,0,0]=4 229 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [1,1,0,0,0,0|0,0,0]=2 230 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [1,1,0,0,0,0|1,0,1]=4 231 B9R0.35 CCOC(=O)C(C)SSC CNP0103429.0 [1,1,0,0,0,0|1,0,0]=3 232 B9R0.37 CCOC(=O)C(=NO)SC CNP0076990.0 [1,1,0,0,0,0|1,0,1]=4 233 B9R0.37 CCOC(=O)C(CC)CC CNP0165107.0 [1,1,0,0,0,0|0,0,0]=2 234 B9R0.37 CCOC(=O)[C@@H](CC)NC CNP0599736.1 [1,1,0,0,0,0|0,0,0]=2 235 B9R0.37 CCOC(=O)[C@H](CC)NC CNP0599736.2 [1,1,0,0,0,0|0,0,0]=2 236 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [1,1,0,0,0,0|1,0,1]=4 237 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [1,1,0,0,0,0|1,0,1]=4 238 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [1,1,0,0,0,0|1,0,0]=3 239 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [1,1,0,0,0,0|0,1,0]=3 240 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [1,1,0,0,0,0|0,0,0]=2 241 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [1,1,0,0,0,0|1,0,0]=3 242 B9R0.44 CCOC(=O)CC(C)(C)O CNP0234032.0 [1,1,0,0,0,0|0,0,0]=2 243 B9R0.53 CC(C)CC(=O)CC(C)C CNP0084478.0 [1,1,0,0,0,0|2,0,0]=4 244 B9R0.53 CC(C)CC(=O)OC(C)C CNP0311912.0 [1,1,0,0,0,0|1,0,0]=3 245 B9R0.53 CC(C)CC(=O)SC(C)C CNP0159406.0 [1,1,0,0,0,0|1,1,0]=4 246 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [1,1,0,0,0,0|1,0,1]=4 247 B11R0.10 CCOC(=O)CC(C)(C)C(C)C CNP0525560.0 [0,1,0,0,0,1|1,0,0]=3 248 B11R0.308 CC(C)C(N)C(=O)OC(C)(C)C CNP0507396.0 [0,2,0,0,0,0|2,0,0]=4 249 B11R0.66 C/C=C(/C)\C(=O)[C@H](C)[C@H](O)CC CNP0528194.1 [0,2,0,0,0,0|1,0,1]=4 250 B11R0.122 CCOC(=O)C(Br)C(C)(O)CC CNP0499844.0 [0,2,0,0,0,0|1,0,0]=3 251 B11R0.139 C=C(C(=O)OCCCC)[C@H](C)O CNP0261781.1 [0,2,0,0,0,0|0,0,2]=4 252 B11R0.173 C=C(C(=O)OCC(C)C)[C@H](C)O CNP0245301.1 [0,2,0,0,0,0|0,0,2]=4 253 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [1,0,0,1,0,0|0,0,2]=4 254 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [1,0,0,1,0,0|1,0,1]=4 255 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [1,0,0,1,0,0|2,0,0]=4 256 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [1,0,0,1,0,0|2,0,0]=4 257 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [1,0,0,1,0,0|2,0,0]=4 258 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [1,0,0,1,0,0|2,0,0]=4 259 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [1,0,0,1,0,0|2,0,0]=4 260 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [1,0,0,1,0,0|0,0,2]=4 261 B9R1.41 CC(C)[C@@H]1CCCC1=O CNP0314072.2 [1,0,0,1,0,0|1,0,0]=3 262 B9R1.41 CC(C)[C@H]1CCCC1=O CNP0314072.1 [1,0,0,1,0,0|1,0,0]=3 263 B9R1.138 CC1(COC(=O)[C@@H]1O)C CNP0187947.1 [1,0,0,1,0,0|2,0,0]=4 264 B9R1.138 CC1(COC(=O)[C@H]1O)C CNP0187947.2 [1,0,0,1,0,0|2,0,0]=4 265 B9R1.138 CN1C(=O)CCC1(C)C CNP0587825.0 [1,0,0,1,0,0|2,0,0]=4 266 B9R1.185 COC(=O)[C@H]1NC1(C)C CNP0183519.1 [1,0,0,1,0,0|2,0,0]=4 267 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [1,0,0,1,0,0|1,0,0]=3 268 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [1,0,0,1,0,0|0,0,0]=2 269 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [1,0,0,1,0,0|2,0,0]=4 270 B9R1.11 CCC(C)C1OCCO1 CNP0407840.0 [1,0,0,1,0,0|0,0,2]=4 271 B9R1.11 CC[C@@H](C)C1=NCCS1 CNP0290095.1 [1,0,0,1,0,0|1,1,0]=4 272 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [1,0,0,1,0,0|1,0,0]=3 273 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [1,0,0,1,0,0|2,0,0]=4 274 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [1,0,0,1,0,0|2,0,0]=4 275 B9R1.15 O=C1COCCC1CO CNP0612158.0 [1,0,0,1,0,0|2,0,0]=4 276 B9R1.15 O=C1NCCC[C@H]1NO CNP0181841.1 [1,0,0,1,0,0|2,0,0]=4 277 B9R1.22 CC1C=C(C(=O)O1)CO CNP0506696.0 [1,0,0,1,0,0|0,0,2]=4 278 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [1,0,0,1,0,0|0,0,0]=2 279 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [1,0,0,1,0,0|0,0,0]=2 280 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [1,0,0,1,0,0|0,0,0]=2 281 B9R1.74 CCOC(=O)C1(CC1)N CNP0409533.0 [1,0,0,1,0,0|1,0,0]=3 282 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [1,0,0,1,0,0|1,0,0]=3 283 B9R1.202 CCC1(CCOC1=O)C CNP0050181.0 [1,0,0,1,0,0|0,0,0]=2 284 B9R1.202 CCC1(CCSC1=O)C CNP0109603.0 [1,0,0,1,0,0|0,1,0]=3 285 B9R1.202 O=C1OCC[C@@]1(O)CO CNP0229397.1 [1,0,0,1,0,0|1,0,0]=3 286 B9R1.34 CC1OC(=O)CC(=O)O1 CNP0094345.0 [1,0,0,1,0,0|1,0,1]=4 287 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [1,0,0,1,0,0|0,0,2]=4 288 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [1,0,0,1,0,0|0,0,0]=2 289 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [1,0,0,1,0,0|0,0,2]=4 290 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [1,0,0,1,0,0|0,0,0]=2 291 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [1,0,0,1,0,0|2,0,0]=4 292 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [1,0,0,1,0,0|0,0,0]=2 293 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [1,0,0,1,0,0|0,0,0]=2 294 B11R1.15 CCOC(=O)C1CCC(=O)O1 CNP0001512.0 [0,0,0,1,0,1|0,0,2]=4 295 B11R1.15 CCOC(=O)[C@@H]1CCC(=N1)O CNP0524043.1 [0,0,0,1,0,1|0,0,1]=3 296 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 CNP0367585.2 [0,0,0,1,0,1|0,0,2]=4 297 B11R1.15 CCOC(=O)[C@H]1CCC(=N1)O CNP0524043.2 [0,0,0,1,0,1|0,0,1]=3 298 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 CNP0367585.1 [0,0,0,1,0,1|0,0,2]=4 299 B11R1.673 CC1=C(C(OC1=O)O)C(C)O CNP0116264.0 [0,0,0,1,0,1|1,0,1]=4 300 B11R1.673 C[C@@H]1C(=O)O[C@@H]([C@H]1C(=O)O)C CNP0351194.2 [0,0,0,1,0,1|1,0,1]=4 301 B11R1.673 C[C@@H]1OC(=O)[C@@H]([C@H]1C(=O)O)C CNP0351194.1 [0,0,0,1,0,1|1,0,1]=4 302 B11R1.166 CC(C)C1CC[C@H](CC1=O)C CNP0219935.2 [0,1,0,1,0,0|2,0,0]=4 303 B11R1.166 CC(C)[C@@H]1CC[C@@H](CC1=O)C CNP0219935.5 [0,1,0,1,0,0|2,0,0]=4 304 B11R1.166 CC(C)[C@@H]1CC[C@H](CC1=O)C CNP0219935.1 [0,1,0,1,0,0|2,0,0]=4 305 B11R1.166 CC(C)[C@H]1CC[C@@H](CC1=O)C CNP0219935.3 [0,1,0,1,0,0|2,0,0]=4 306 B11R1.166 CC(C)[C@H]1CC[C@H](CC1=O)C CNP0219935.4 [0,1,0,1,0,0|2,0,0]=4 307 B11R1.32 CC1OC(=O)C(C(C1O)O)O CNP0022618.0 [0,1,0,1,0,0|1,0,0]=3 308 B11R1.32 C[C@@H]1[C@@H]([C@H](C(=O)O[C@@H]1C)C)O CNP0311543.2 [0,1,0,1,0,0|0,0,0]=2 309 B11R1.32 C[C@@H]1[C@@H]([C@H](C(=O)O[C@H]1C)C)O CNP0311543.1 [0,1,0,1,0,0|0,0,0]=2 310 B11R1.32 O=C1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O CNP0376300.1 [0,1,0,1,0,0|2,0,0]=4 311 B11R1.222 CCC(C)C1CCCCC1=O CNP0002485.0 [0,1,0,1,0,0|2,0,0]=4 312 B11R1.800 CCOC(=O)[C@@](C)(N)C1CC1 CNP0555371.1 [0,1,0,1,0,0|1,0,0]=3 313 B11R1.800 CCOC(=O)[C@](C)(N)C1CC1 CNP0555371.2 [0,1,0,1,0,0|1,0,0]=3 314 B11R1.513 C[C@@H]1COC(=O)[C@@]1(O)[C@@H](C)O CNP0229038.4 [0,1,0,1,0,0|1,0,0]=3 315 B11R1.513 C[C@@H]1COC(=O)[C@]1(O)[C@@H](C)O CNP0229038.2 [0,1,0,1,0,0|1,0,0]=3 316 B11R1.513 C[C@H](O)[C@]1(C(=O)OC[C@@H]1C)O CNP0229038.1 [0,1,0,1,0,0|1,0,0]=3 317 B11R1.513 C[C@H](O)[C@]1(C(=O)OC[C@H]1C)O CNP0229038.3 [0,1,0,1,0,0|1,0,0]=3 318 B11R2.533 CC1([C@@H]2CCC(=O)[C@H]1C2)C CNP0141735.2 [0,0,0,2,0,0|2,0,0]=4 319 B11R2.533 CC1([C@H]2CCC(=O)[C@@H]1C2)C CNP0141735.1 [0,0,0,2,0,0|2,0,0]=4 320 B11R2.540 CC(=O)C12CC1COC2=O CNP0160915.0 [0,0,0,2,0,0|0,0,2]=4 321 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [1,0,0,0,0,1|2,0,0]=4 322 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [1,0,0,0,0,1|2,0,0]=4 323 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [1,0,0,0,0,1|1,0,1]=4 324 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [1,0,0,0,0,1|0,0,2]=4 325 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [1,0,0,0,0,1|1,0,1]=4 326 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [1,0,0,0,0,1|1,0,0]=3 327 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [1,0,0,0,0,1|1,0,1]=4 328 B11R0.1 CCOC(=O)C[C@@H](C)NC(=O)C CNP0207369.1 [0,0,0,0,0,2|0,0,2]=4