0 B11R0.180 CC(=CCO)CCCC(C)(C)O CNP0123113.0 [0,0,0,0,0,0|0,0,4]=4 1 B11R0.180 C[C@@H](C/C=C/C(C)(C)O)CCO CNP0380219.1 [0,0,0,0,0,0|0,0,4]=4 2 B11R0.180 C[C@@H](CC=O)CCCC(C)(C)O CNP0276993.1 [0,0,0,0,0,0|0,0,0]=0 3 B11R0.180 C[C@H](CC=O)CCCC(C)(C)O CNP0276993.2 [0,0,0,0,0,0|0,0,0]=0 4 B11R0.180 C[C@H](CCO)CCCC(C)(C)O CNP0335724.1 [0,0,0,0,0,0|0,0,2]=2 5 B10R0.3 C=C(C)CCC[C@@H](C)CC=O CNP0306667.1 [1,0,0,0,0,0|0,0,2]=3 6 B10R0.3 C=C(C)CCC[C@H](C)CC=O CNP0306667.2 [1,0,0,0,0,0|0,0,2]=3 7 B10R0.3 C=CCC(C)CCC=C(C)C CNP0086074.0 [1,0,0,0,0,0|1,0,2]=4 8 B10R0.3 CC(=CCC[C@@H](C)CC=O)C CNP0348470.1 [1,0,0,0,0,0|0,0,2]=3 9 B10R0.3 CC(=CCC[C@@H](C)NC=O)C CNP0392877.1 [1,0,0,0,0,0|1,0,2]=4 10 B10R0.3 CC(=CCC[C@H](C)CC=O)C CNP0348470.2 [1,0,0,0,0,0|0,0,2]=3 11 B10R0.3 CC(=CCC[C@H](C)NC=O)C CNP0392877.2 [1,0,0,0,0,0|1,0,2]=4 12 B10R0.3 CC(C)CCC[C@@H](C)CCO CNP0232963.2 [1,0,0,0,0,0|0,0,2]=3 13 B10R0.3 CC(C)CCC[C@H](C)CCO CNP0232963.1 [1,0,0,0,0,0|0,0,2]=3 14 B10R0.3 CCCC(C)CCCC(C)C CNP0547186.0 [1,0,0,0,0,0|1,0,1]=3 15 B10R0.3 C[C@H](O)CCC[C@@H](O)CCO CNP0334179.1 [1,0,0,0,0,0|1,0,2]=4 16 B10R0.60 C=C(CC)CCCC(C)(C)O CNP0076164.0 [1,0,0,0,0,0|0,0,3]=4 17 B10R0.60 C=CC(=C)CCCC(C)(C)O CNP0356911.0 [1,0,0,0,0,0|0,0,3]=4 18 B10R0.60 C=CC(=CCCC(C)(C)O)C CNP0197999.0 [1,0,0,0,0,0|0,0,3]=4 19 B10R0.60 C=C[C@@H](C)/C=C/CC(C)(C)O CNP0255179.2 [1,0,0,0,0,0|0,0,3]=4 20 B10R0.60 C=C[C@@H](C)/C=C\CC(C)(C)O CNP0255179.3 [1,0,0,0,0,0|0,0,3]=4 21 B10R0.60 C=C[C@@H](C)CCCC(C)(C)O CNP0080125.1 [1,0,0,0,0,0|0,0,1]=2 22 B10R0.60 C=C[C@H](C)/C=C\CC(C)(C)O CNP0255179.1 [1,0,0,0,0,0|0,0,3]=4 23 B10R0.60 CC[C@@H](C)CCCC(C)(C)O CNP0309956.2 [1,0,0,0,0,0|0,0,1]=2 24 B10R0.60 CC[C@H](C)CCCC(C)(C)O CNP0309956.1 [1,0,0,0,0,0|0,0,1]=2 25 B12R0.104 CCCC[C@H](C)CCCC(C)(C)C CNP0081399.1 [0,1,0,0,0,0|2,0,1]=4 26 B12R0.573 COC(C)(C)CCC[C@@H](C)CC=O CNP0267528.2 [0,1,0,0,0,0|0,0,0]=1 27 B12R0.573 COC(C)(C)CCC[C@H](C)CC=O CNP0267528.1 [0,1,0,0,0,0|0,0,0]=1 28 B12R1.126 CC1=CC(=O)[C@@H](CC1)C(C)(C)O CNP0166606.1 [0,0,0,1,0,0|0,0,2]=3 29 B12R1.126 C[C@@H]1CC=C(C(=O)C1)C(C)(C)O CNP0237316.1 [0,0,0,1,0,0|0,0,2]=3 30 B12R1.126 C[C@@H]1CC[C@H](C(=O)C1)C(C)(C)O CNP0188800.1 [0,0,0,1,0,0|0,0,0]=1 31 B12R1.126 C[C@@H]1CC[C@H](C(=O)C1)C(C)(C)S CNP0179506.1 [0,0,0,1,0,0|0,1,0]=2 32 B12R1.126 C[C@@H]1CC[C@H](C(C1)O)C(C)(C)O CNP0196061.4 [0,0,0,1,0,0|0,0,2]=3 33 B12R1.126 C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)(C)O CNP0196061.1 [0,0,0,1,0,0|0,0,2]=3 34 B12R1.126 C[C@@H]1CC[C@H]([C@H](C1)O)C(C)(C)O CNP0196061.3 [0,0,0,1,0,0|0,0,2]=3 35 B12R1.126 C[C@H]1CC=C(C(=O)C1)C(C)(C)O CNP0237316.2 [0,0,0,1,0,0|0,0,2]=3 36 B12R1.126 C[C@H]1CC[C@@H](C(=O)C1)C(C)(C)O CNP0188800.2 [0,0,0,1,0,0|0,0,0]=1 37 B12R1.126 C[C@H]1CC[C@@H]([C@@H](C1)O)C(C)(C)O CNP0196061.2 [0,0,0,1,0,0|0,0,2]=3 38 B12R1.126 C[C@H]1CC[C@@H]([C@H](C1)O)C(C)(C)O CNP0196061.6 [0,0,0,1,0,0|0,0,2]=3 39 B12R1.126 C[C@H]1CC[C@H](C(C1)O)C(C)(C)O CNP0196061.5 [0,0,0,1,0,0|0,0,2]=3 40 B12R1.1572 C=C/C=C(\C)/CC[C@H]1OC1(C)C CNP0156370.1 [0,0,0,1,0,0|1,0,2]=4 41 B12R1.1572 CC(=CC=O)CCC1CC1(C)C CNP0055361.0 [0,0,0,1,0,0|1,0,2]=4 42 B12R1.1572 CC(CCO)CCC1OC1(C)C CNP0142645.0 [0,0,0,1,0,0|0,0,2]=3 43 B9R0.1 C=CC(C)CCCC(C)C CNP0584628.0 [2,0,0,0,0,0|0,0,1]=3 44 B9R0.1 CC(=CCCC(C)C)C=O CNP0199233.0 [2,0,0,0,0,0|0,0,2]=4 45 B9R0.1 CC(=CCC[C@@H](C)C=O)C CNP0150075.2 [2,0,0,0,0,0|0,0,2]=4 46 B9R0.1 CC(=CCC[C@H](C)C=O)C CNP0150075.1 [2,0,0,0,0,0|0,0,2]=4 47 B9R0.1 CC(C)CCC[C@@H](C)C=O CNP0422099.2 [2,0,0,0,0,0|0,0,0]=2 48 B9R0.1 CC(C)CCC[C@@H](C)CO CNP0195092.1 [2,0,0,0,0,0|0,0,1]=3 49 B9R0.1 CC(C)CCC[C@H](C)C=O CNP0422099.1 [2,0,0,0,0,0|0,0,0]=2 50 B9R0.1 CC(C)CCC[C@H](C)CO CNP0195092.2 [2,0,0,0,0,0|0,0,1]=3 51 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [2,0,0,0,0,0|0,0,1]=3 52 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [2,0,0,0,0,0|0,0,1]=3 53 B9R0.2 CC(C)CCCCCC=O CNP0541884.0 [2,0,0,0,0,0|0,0,0]=2 54 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [2,0,0,0,0,0|1,0,1]=4 55 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [2,0,0,0,0,0|1,0,1]=4 56 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [2,0,0,0,0,0|1,0,1]=4 57 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [2,0,0,0,0,0|2,0,0]=4 58 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [2,0,0,0,0,0|0,0,0]=2 59 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [2,0,0,0,0,0|0,0,0]=2 60 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [2,0,0,0,0,0|1,0,1]=4 61 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [2,0,0,0,0,0|1,0,0]=3 62 B9R0.56 CC(=O)CCCC(C)(C)C CNP0540441.0 [2,0,0,0,0,0|1,0,1]=4 63 B9R0.56 C[C@@H](N)CCCC(C)(C)O CNP0355424.2 [2,0,0,0,0,0|1,0,0]=3 64 B9R0.56 C[C@H](N)CCCC(C)(C)O CNP0355424.1 [2,0,0,0,0,0|1,0,0]=3 65 B11R0.1 C=CCC(C)CC(C)CC(C)C CNP0083066.0 [1,1,0,0,0,0|1,0,0]=3 66 B11R0.6 CC(=CCC[C@@H](C)CC(=O)O)C CNP0402865.1 [1,1,0,0,0,0|0,0,2]=4 67 B11R0.6 CC(=CCC[C@H](C)CC(=O)O)C CNP0402865.2 [1,1,0,0,0,0|0,0,2]=4 68 B11R0.6 CC(=O)OC(C)CCCC(C)C CNP0003322.0 [1,1,0,0,0,0|1,0,0]=3 69 B11R0.6 C[C@H](CCCC(=O)O)CC(=O)O CNP0273190.1 [1,1,0,0,0,0|1,0,1]=4 70 B11R0.104 CC(=CCCC(C)(O)CC=O)C CNP0525383.0 [1,1,0,0,0,0|0,0,2]=4 71 B11R0.145 CC[C@H](O)[C@H](C)CCC[C@H](C)O CNP0407566.1 [1,1,0,0,0,0|1,0,1]=4 72 B11R0.147 CC(C)CCCC(C)CCCO CNP0568830.0 [1,1,0,0,0,0|0,0,2]=4 73 B11R0.147 CC(C)CCC[C@@H](C)C/C=N/O CNP0026549.2 [1,1,0,0,0,0|0,0,1]=3 74 B11R0.147 CC(C)CCC[C@H](C)C/C=N/O CNP0026549.1 [1,1,0,0,0,0|0,0,1]=3 75 B11R0.174 CC(=CCCC(C)CC=O)CO CNP0506134.0 [1,1,0,0,0,0|0,0,2]=4 76 B11R0.174 CCCC(C)CCCC(C)CC CNP0076780.0 [1,1,0,0,0,0|1,0,1]=4 77 B11R0.174 CCCC(C)CCCC(C)CO CNP0041473.0 [1,1,0,0,0,0|1,0,1]=4 78 B11R0.174 C[C@@H](CCO)CCC[C@H](C)CO CNP0376305.1 [1,1,0,0,0,0|0,0,2]=4 79 B11R0.49 CCCCCCCC(C)(C)CO CNP0350508.0 [1,1,0,0,0,0|1,0,1]=4 80 B11R0.89 C=C[C@@H](C)CC[C@@H](O)C(C)(C)O CNP0366738.3 [1,1,0,0,0,0|0,0,1]=3 81 B11R0.89 C=C[C@@H](C)CC[C@H](O)C(C)(C)O CNP0366738.1 [1,1,0,0,0,0|0,0,1]=3 82 B11R0.89 C=C[C@H](C)CC[C@@H](O)C(C)(C)O CNP0366738.2 [1,1,0,0,0,0|0,0,1]=3 83 B11R0.89 C=C[C@H](C)CC[C@H](O)C(C)(C)O CNP0366738.4 [1,1,0,0,0,0|0,0,1]=3 84 B11R0.131 C=CC(C)(O)CCCC(C)(C)O CNP0308878.0 [1,1,0,0,0,0|0,0,1]=3 85 B11R0.320 C=C[C@](C)(O)CCC[C@H](C)CO CNP0566128.1 [1,1,0,0,0,0|0,0,2]=4 86 B13R0.416 C/C(=C\C(=O)O)/CC[C@H](O)C(C)(C)O CNP0259603.1 [0,2,0,0,0,0|0,0,2]=4 87 B13R0.416 CC(CC[C@@H](O)C(C)(C)O)CC(=O)N CNP0481865.1 [0,2,0,0,0,0|0,0,0]=2 88 B13R0.488 C[C@H](CC[C@H](O)C(C)(C)O)[C@H](O)CO CNP0258147.1 [0,2,0,0,0,0|0,0,2]=4 89 B11R1.64 C=C(C)C1CCC(C1C=O)C CNP0109366.0 [1,0,0,1,0,0|0,0,2]=4 90 B11R1.64 C=C(C)[C@@H]1CC[C@H]([C@H]1C=O)C CNP0109366.1 [1,0,0,1,0,0|0,0,2]=4 91 B11R1.166 C=C(C)[C@@H]1CC[C@@H](CC1=O)C CNP0179926.4 [1,0,0,1,0,0|0,0,2]=4 92 B11R1.166 C=C(C)[C@@H]1CC[C@H](CC1=O)C CNP0179926.1 [1,0,0,1,0,0|0,0,2]=4 93 B11R1.166 C=C(C)[C@H]1CC[C@@H](CC1=O)C CNP0179926.2 [1,0,0,1,0,0|0,0,2]=4 94 B11R1.166 C=C(C)[C@H]1CC[C@H](CC1=O)C CNP0179926.3 [1,0,0,1,0,0|0,0,2]=4 95 B11R1.166 CC(=C1CC[C@@H](CC1=O)C)C CNP0270635.2 [1,0,0,1,0,0|0,0,2]=4 96 B11R1.166 CC(=C1CC[C@H](CC1=O)C)C CNP0270635.1 [1,0,0,1,0,0|0,0,2]=4 97 B11R1.166 CC(=O)[C@@H]1CC[C@@H](CC1=O)C CNP0076630.1 [1,0,0,1,0,0|0,0,2]=4 98 B11R1.166 CC(C)C1=CC[C@@H](CC1=O)C CNP0370138.1 [1,0,0,1,0,0|0,0,2]=4 99 B11R1.166 CC(C)C1CC[C@H](CC1=O)C CNP0219935.2 [1,0,0,1,0,0|0,0,0]=2 100 B11R1.166 CC(C)[C@@H]1C=C[C@H](CC1=O)C CNP0154586.1 [1,0,0,1,0,0|0,0,2]=4 101 B11R1.166 CC(C)[C@@H]1CC[C@@H](CC1=O)C CNP0219935.5 [1,0,0,1,0,0|0,0,0]=2 102 B11R1.166 CC(C)[C@@H]1CC[C@@H](C[C@@H]1O)C CNP0243697.8 [1,0,0,1,0,0|0,0,2]=4 103 B11R1.166 CC(C)[C@@H]1CC[C@@H](C[C@H]1O)C CNP0243697.9 [1,0,0,1,0,0|0,0,2]=4 104 B11R1.166 CC(C)[C@@H]1CC[C@H](CC1=O)C CNP0219935.1 [1,0,0,1,0,0|0,0,0]=2 105 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@@H]1O)C CNP0243697.5 [1,0,0,1,0,0|0,0,2]=4 106 B11R1.166 CC(C)[C@@H]1CC[C@H](C[C@H]1O)C CNP0243697.6 [1,0,0,1,0,0|0,0,2]=4 107 B11R1.166 CC(C)[C@H]1CC[C@@H](CC1=O)C CNP0219935.3 [1,0,0,1,0,0|0,0,0]=2 108 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@@H]1O)C CNP0243697.7 [1,0,0,1,0,0|0,0,2]=4 109 B11R1.166 CC(C)[C@H]1CC[C@@H](C[C@H]1O)C CNP0243697.4 [1,0,0,1,0,0|0,0,2]=4 110 B11R1.166 CC(C)[C@H]1CC[C@H](CC1=O)C CNP0219935.4 [1,0,0,1,0,0|0,0,0]=2 111 B11R1.166 CC(C)[C@H]1CC[C@H](CC1O)C CNP0243697.3 [1,0,0,1,0,0|0,0,2]=4 112 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@@H]1O)C CNP0243697.10 [1,0,0,1,0,0|0,0,2]=4 113 B11R1.166 CC(C)[C@H]1CC[C@H](C[C@H]1O)C CNP0243697.1 [1,0,0,1,0,0|0,0,2]=4 114 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C CNP0256270.1 [1,0,0,1,0,0|0,0,2]=4 115 B11R1.166 CC1=CC(=O)[C@H](CC1)C(C)C CNP0256270.2 [1,0,0,1,0,0|0,0,2]=4 116 B11R1.166 CC1=CC[C@H](C(=O)C1)C(C)C CNP0354398.1 [1,0,0,1,0,0|0,0,2]=4 117 B11R1.166 CC1C=C(C(CC1)C(C)C)O CNP0003486.0 [1,0,0,1,0,0|0,0,2]=4 118 B11R1.166 CC1CCC(=C(C1)O)C(C)C CNP0029188.0 [1,0,0,1,0,0|0,0,2]=4 119 B11R1.166 CC1CCC(C(=S)C1)C(C)C CNP0266622.0 [1,0,0,1,0,0|0,1,0]=3 120 B11R1.166 CC1CC[C@@H]([C@H](C1)O)C(C)C CNP0243697.2 [1,0,0,1,0,0|0,0,2]=4 121 B11R1.342 CC1(CCCC(=CC=O)C1)C CNP0143280.0 [1,0,0,1,0,0|0,0,2]=4 122 B11R1.424 CC1=C(C(CCC1)(C)C)C=O CNP0108027.0 [1,0,0,1,0,0|0,0,2]=4 123 B11R1.424 CC1=CCCC(C1C=O)(C)C CNP0173915.0 [1,0,0,1,0,0|0,0,2]=4 124 B11R1.424 CC1CCCC(C1C=O)(C)C CNP0502329.0 [1,0,0,1,0,0|0,0,0]=2 125 B11R1.424 CC[C@@H]1[C@H](CCCC1(C)C)C CNP0271938.1 [1,0,0,1,0,0|1,0,1]=4 126 B11R1.424 [13CH3][13C]1=[13C]([13C]([13CH2][13CH2][13CH2]1)([13CH3])[13CH3])[13CH]=O CNP0520746.0 [1,0,0,1,0,0|0,0,2]=4 127 B11R1.563 C[C@@H]1CCC[C@@H](CC(=O)O1)O CNP0103684.2 [1,0,0,1,0,0|1,0,0]=3 128 B11R1.563 C[C@@H]1CCO[C@H](CC(=O)C1)O CNP0173979.1 [1,0,0,1,0,0|1,0,0]=3 129 B11R1.563 C[C@H]1CCC[C@H](CC(=O)O1)O CNP0103684.1 [1,0,0,1,0,0|1,0,0]=3 130 B11R1.19 CC(C)(O)[C@H]1CC[C@@H](CC1)C CNP0330044.1 [1,0,0,1,0,0|0,0,1]=3 131 B11R1.19 CC1=CC[C@@H](CC1)C(C)(C)O CNP0311257.1 [1,0,0,1,0,0|1,0,1]=4 132 B11R1.19 CC1=CC[C@H](CC1)C(C)(C)O CNP0311257.2 [1,0,0,1,0,0|1,0,1]=4 133 B11R1.19 C[C@H]1C=C[C@H](CC1)C(C)(C)C CNP0265572.1 [1,0,0,1,0,0|1,0,1]=4 134 B11R1.19 C[C@H]1CC=C(CC1)C(C)(C)O CNP0221879.1 [1,0,0,1,0,0|0,0,1]=3 135 B11R1.866 C/C=C(/C)\[C@H]1CCC(O1)(C)C CNP0219492.3 [1,0,0,1,0,0|1,0,1]=4 136 B11R1.866 C/C=C(\C)/[C@H]1CCC(O1)(C)C CNP0219492.1 [1,0,0,1,0,0|1,0,1]=4 137 B11R1.866 CC=C(C)[C@@H]1CCC(O1)(C)C CNP0219492.2 [1,0,0,1,0,0|1,0,1]=4 138 B11R1.1072 C=C[C@@]1(CCCC(O1)(C)C)C CNP0259689.2 [1,0,0,1,0,0|0,0,1]=3 139 B11R1.1072 C=C[C@]1(CCCC(O1)(C)C)C CNP0259689.1 [1,0,0,1,0,0|0,0,1]=3 140 B11R1.1072 CC[C@@]1(CCCC(O1)(C)C)C CNP0070585.1 [1,0,0,1,0,0|0,0,1]=3 141 B11R1.1072 CC[C@]1(CCCC(O1)(C)C)C CNP0070585.2 [1,0,0,1,0,0|0,0,1]=3 142 B13R1.3531 CC1=CC(=O)O[C@H](CC1)C(C)(C)O CNP0292459.1 [0,1,0,1,0,0|0,0,2]=4 143 B13R1.127 CC(C)(O)CCC[C@@H]1CCC(=O)O1 CNP0104941.1 [0,1,0,1,0,0|1,0,0]=3 144 B13R1.3412 CC(C)(O)[C@@H]1CC[C@](C[C@@H]1O)(C)O CNP0087171.3 [0,1,0,1,0,0|0,0,2]=4 145 B13R1.3412 CC(C)(O)[C@@H]1CC[C@](C[C@H]1O)(C)O CNP0087171.1 [0,1,0,1,0,0|0,0,2]=4 146 B13R1.3412 CC(C)(O)[C@H]1CC[C@](C[C@@H]1O)(C)O CNP0087171.4 [0,1,0,1,0,0|0,0,2]=4 147 B13R1.3412 CC(C)(O)[C@H]1CC[C@](C[C@H]1O)(C)O CNP0087171.2 [0,1,0,1,0,0|0,0,2]=4 148 B13R1.877 CC1CC(=O)C(=C[C@H]1O)C(C)(C)O CNP0152925.1 [0,1,0,1,0,0|0,0,2]=4 149 B13R1.877 C[C@@H]1CC(=O)C(=C[C@H]1O)C(C)(C)O CNP0152925.2 [0,1,0,1,0,0|0,0,2]=4 150 B13R1.4183 CSC(C)(C)[C@@H]1CC[C@@H](CC1=O)C CNP0234484.1 [0,1,0,1,0,0|0,1,0]=3 151 B13R1.4183 CSC(C)(C)[C@H]1CC[C@@H](CC1=O)C CNP0234484.2 [0,1,0,1,0,0|0,1,0]=3 152 B13R2.5070 C[C@@H]1CC[C@@]2(OC2(C)C)C(=O)C1 CNP0333304.1 [0,0,0,2,0,0|0,0,0]=2 153 B13R2.5070 C[C@@H]1CC[C@]2(OC2(C)C)C(=O)C1 CNP0333304.2 [0,0,0,2,0,0|0,0,0]=2 154 B13R2.12702 CC1(O[C@]2(CC[C@@H]1C(=O)C2)C)C CNP0396311.1 [0,0,0,2,0,0|0,0,0]=2 155 B13R2.12702 CC1(O[C@]2(CC[C@@H]1C(C2)O)C)C CNP0242761.1 [0,0,0,2,0,0|0,0,2]=4 156 B13R2.12702 CC1(O[C@]2(CC[C@@H]1[C@@H](C2)N)C)C CNP0240943.1 [0,0,0,2,0,0|1,0,1]=4 157 B13R2.12702 CC1(O[C@]2(CC[C@@H]1[C@@H](C2)O)C)C CNP0242761.2 [0,0,0,2,0,0|0,0,2]=4 158 B13R2.10543 C[C@@H]1CCO[C@]12CCC(O2)(C)C CNP0208967.2 [0,0,0,2,0,0|0,0,2]=4 159 B13R2.10543 C[C@H]1CCO[C@]12CCC(O2)(C)C CNP0208967.1 [0,0,0,2,0,0|0,0,2]=4 160 B9R0.44 CC(CC=O)CC(C)(C)C CNP0185599.0 [0,0,0,0,2,0|1,0,0]=3