0 B11R1.424 C=C1C=CCC(C1C=O)(C)C CNP0489854.0 [0,0,0,0,0,0|0,0,2]=2 1 B11R1.424 C=CC1=C(CCCC1(C)C)C CNP0165975.0 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.424 CC1=C(C(C=CC1)(C)C)C=O CNP0038929.0 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.424 CC1=C(C(CC=C1)(C)C)C=O CNP0229410.0 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.424 CC1=C(C(CCC1)(C)C)C=O CNP0108027.0 [0,0,0,0,0,0|0,0,2]=2 5 B11R1.424 CC1=C(C(CCC1)(C)C)CO CNP0515887.0 [0,0,0,0,0,0|0,0,4]=4 6 B11R1.424 CC1=CCCC(C1C=O)(C)C CNP0173915.0 [0,0,0,0,0,0|0,0,2]=2 7 B11R1.424 CC1=CCCC(C1CO)(C)C CNP0086275.0 [0,0,0,0,0,0|0,0,4]=4 8 B11R1.424 CC1CCCC(C1C=O)(C)C CNP0502329.0 [0,0,0,0,0,0|0,0,4]=4 9 B11R1.424 [13CH3][13C]1=[13C]([13C]([13CH2][13CH2][13CH2]1)([13CH3])[13CH3])[13CH]=O CNP0520746.0 [0,0,0,0,0,0|0,0,2]=2 10 B10R1.245 CC1=CC=CC(=C1C=O)C CNP0561651.0 [1,0,0,0,0,0|0,0,2]=3 11 B10R1.245 CC1=CC=CC(=C1C=O)O CNP0298218.0 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.301 C=C1C(=CCCC1(C)C)C CNP0330496.0 [1,0,0,0,0,0|0,0,1]=2 13 B10R1.301 CC1=C(C(CC=C1)(C)C)C CNP0583800.0 [1,0,0,0,0,0|0,0,1]=2 14 B10R1.301 CC1=CC=CC(C1=O)(C)C CNP0077154.0 [1,0,0,0,0,0|0,0,1]=2 15 B10R1.301 CC1=CC=CC([C@@H]1C)(C)C CNP0290404.1 [1,0,0,0,0,0|0,0,3]=4 16 B10R1.301 CC1=CCCC(C1=O)(C)C CNP0037494.0 [1,0,0,0,0,0|0,0,1]=2 17 B10R1.301 C[C@@H]1CCCC(C1=O)(C)C CNP0229398.1 [1,0,0,0,0,0|0,0,3]=4 18 B10R1.301 C[C@H]1CCCC(C1=O)(C)C CNP0229398.2 [1,0,0,0,0,0|0,0,3]=4 19 B12R1.754 C=CC1=C(CC(CC1(C)C)O)C CNP0541513.0 [0,1,0,0,0,0|1,0,2]=4 20 B12R1.754 CC1=C(C(C[C@@H](C1)O)(C)C)C=O CNP0179468.1 [0,1,0,0,0,0|0,0,2]=3 21 B12R1.754 CC1=C(C(C[C@H](C1)O)(C)C)C=O CNP0179468.2 [0,1,0,0,0,0|0,0,2]=3 22 B12R1.754 CC1=CC(=O)CC([C@@H]1CO)(C)C CNP0208444.1 [0,1,0,0,0,0|0,0,3]=4 23 B12R1.754 CC=C1C(=CC(=O)CC1(C)C)C CNP0210067.0 [0,1,0,0,0,0|1,0,0]=2 24 B12R1.767 CC1=C(C(CCC1=O)(C)C)CO CNP0160301.0 [0,1,0,0,0,0|0,0,3]=4 25 B12R1.786 CC1=C(C([C@H](C=C1)C)(C)C)C=O CNP0287269.1 [0,1,0,0,0,0|0,0,0]=1 26 B12R1.786 CC1=CC[C@@H](C([C@@H]1C=O)(C)C)C CNP0349918.1 [0,1,0,0,0,0|0,0,2]=3 27 B12R1.1113 CC1=C(C(CCC1)(C)C)CC=O CNP0344150.0 [0,1,0,0,0,0|0,0,2]=3 28 B12R1.1258 CC1=C(C(CCC1)(C)C)C(=O)O CNP0611700.0 [0,1,0,0,0,0|0,0,2]=3 29 B10R0.3 CC(=CC=CC(=CC=O)C)C CNP0319558.0 [0,0,1,0,0,0|0,0,2]=3 30 B10R0.101 C=CC=C(C)C(=C(C)C)C=O CNP0530284.0 [0,0,1,0,0,0|0,0,2]=3 31 B12R2.610 CC1=CC[C@@H]2C(=O)[C@H]1C2(C)C CNP0283973.2 [0,0,0,1,0,0|0,0,2]=3 32 B12R2.610 CC1=CC[C@H]2C(=O)[C@@H]1C2(C)C CNP0283973.1 [0,0,0,1,0,0|0,0,2]=3 33 B12R1.740 CC1=CC=CCC(C1=NO)(C)C CNP0129714.0 [0,0,0,0,0,1|1,0,1]=3 34 B9R0.1 C=CC(=CC=CC(C)C)C CNP0086413.0 [1,0,1,0,0,0|0,0,1]=3 35 B9R0.1 C=CC(=CCCC(C)C)C CNP0227262.0 [1,0,1,0,0,0|0,0,1]=3 36 B9R0.1 CC(=CCCC(C)C)C=O CNP0199233.0 [1,0,1,0,0,0|0,0,1]=3 37 B9R0.1 CC=C(C)C=CCC(C)C CNP0113285.0 [1,0,1,0,0,0|0,0,1]=3 38 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [1,0,1,0,0,0|2,0,0]=4 39 B9R0.5 CC=COCC(C)CC=O CNP0595975.0 [1,0,1,0,0,0|1,0,1]=4 40 B9R1.15 CC1=CC=CC=C1C=O CNP0312869.0 [2,0,0,0,0,0|0,0,2]=4 41 B9R1.15 O=CC1=C(C=COC1)O CNP0216664.0 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.40 CC1(CCC=CC1=O)O CNP0369589.0 [2,0,0,0,0,0|1,0,1]=4 43 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [2,0,0,0,0,0|2,0,0]=4 44 B11R0.6 CC(=CC=CC(=CC(=O)O)C)C CNP0286255.0 [0,1,1,0,0,0|0,0,2]=4 45 B11R1.72 CC1=CC=C(C(=C1C)C=O)C CNP0300217.0 [1,1,0,0,0,0|0,0,2]=4 46 B11R1.156 CC1=CC=CC(=C1C(=O)Cl)C CNP0307151.0 [1,1,0,0,0,0|0,0,2]=4 47 B11R1.156 CC1=CC=CC(=C1C(=O)O)C CNP0447536.0 [1,1,0,0,0,0|0,0,2]=4 48 B11R1.265 COC1=CC=CC(=C1C=O)C CNP0303374.0 [1,1,0,0,0,0|0,0,2]=4 49 B11R1.464 CC1=CC(=C(C(=C1)C)C=O)C CNP0234902.0 [1,1,0,0,0,0|0,0,2]=4 50 B11R1.464 CC1=CC(C(C(C1)C)C=O)C CNP0274878.0 [1,1,0,0,0,0|0,0,2]=4 51 B11R1.325 C=C1C(=CC(=O)CC1(C)C)C CNP0076977.0 [1,1,0,0,0,0|0,0,0]=2 52 B11R1.325 CC1=CC(=O)CC(C1=O)(C)C CNP0195903.0 [1,1,0,0,0,0|0,0,0]=2 53 B11R1.325 CC1=CC(=O)CC([C@@H]1O)(C)C CNP0421005.2 [1,1,0,0,0,0|0,0,2]=4 54 B11R1.325 CC1=CC(=O)CC([C@H]1O)(C)C CNP0421005.1 [1,1,0,0,0,0|0,0,2]=4 55 B11R1.325 CC1=C[C@H](CC(C1=O)(C)C)O CNP0178434.1 [1,1,0,0,0,0|0,0,1]=3 56 B11R1.325 C[C@@H]1CC(=O)CC(C1=O)(C)C CNP0253574.2 [1,1,0,0,0,0|0,0,2]=4 57 B11R1.325 C[C@H]1CC(=O)CC(C1=O)(C)C CNP0253574.1 [1,1,0,0,0,0|0,0,2]=4 58 B11R1.511 CC1=CC[C@@H](C(C1=O)(C)C)C CNP0317384.1 [1,1,0,0,0,0|0,0,1]=3 59 B13R1.2814 CC(=O)C1=C(C=C(CC1(C)C)C)O CNP0469977.0 [0,2,0,0,0,0|1,0,0]=3 60 B13R1.2814 CC(=O)[C@@H]1C(=O)C=C(CC1(C)C)C CNP0349921.1 [0,2,0,0,0,0|1,0,1]=4 61 B13R1.2814 CC1=C(C(C[C@@H](C1)O)(C)C)C(=O)O CNP0498956.1 [0,2,0,0,0,0|0,0,2]=4 62 B13R1.3254 CC1=C(C(C=C(C1=O)O)(C)C)C=O CNP0116721.0 [0,2,0,0,0,0|0,0,1]=3 63 B13R1.3254 CC1=C(C(C[C@@H](C1=O)O)(C)C)C=O CNP0170884.1 [0,2,0,0,0,0|0,0,1]=3 64 B13R1.3285 CC1=C(C([C@@H]([C@@H](C1)O)O)(C)C)C=O CNP0330071.2 [0,2,0,0,0,0|0,0,2]=4 65 B13R1.3285 CC1=C(C([C@H]([C@@H](C1)O)O)(C)C)C=O CNP0330071.1 [0,2,0,0,0,0|0,0,2]=4 66 B13R1.8150 CC1=C(C(CC(C1)O)(C)C)CC=O CNP0179695.0 [0,2,0,0,0,0|0,0,2]=4 67 B13R1.898 CC1=C(C(C=CC1=O)(C)C)C(=O)O CNP0593302.0 [0,2,0,0,0,0|0,0,1]=3 68 B13R1.898 CC1=C(C(CC[C@@H]1O)(C)C)C(=O)O CNP0420205.2 [0,2,0,0,0,0|0,0,2]=4 69 B13R1.898 CC1=C(C(CC[C@H]1O)(C)C)C(=O)O CNP0420205.1 [0,2,0,0,0,0|0,0,2]=4 70 B13R1.3247 CC1=C(C(C(=O)C=C1O)(C)C)C=O CNP0497068.0 [0,2,0,0,0,0|0,0,1]=3 71 B13R1.3922 CC1=CC[C@@H](C([C@@H]1CC=O)(C)C)C CNP0255659.1 [0,2,0,0,0,0|0,0,2]=4 72 B13R1.1620 CC=CC=C1C(=CCCC1(C)C)C CNP0420535.0 [0,2,0,0,0,0|1,0,1]=4 73 B11R1.166 CC(C)[C@@H]1C=C[C@H](CC1=O)C CNP0154586.1 [0,0,1,1,0,0|0,0,2]=4 74 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C CNP0256270.1 [0,0,1,1,0,0|0,0,2]=4 75 B11R1.166 CC1=CC(=O)[C@H](CC1)C(C)C CNP0256270.2 [0,0,1,1,0,0|0,0,2]=4 76 B11R1.166 CC1=CC=C(C(=C1)C)C(C)C CNP0278893.0 [0,0,1,1,0,0|1,0,1]=4 77 B11R1.166 CC1=CC=C(C(=C1)O)C(C)C CNP0135128.0 [0,0,1,1,0,0|0,0,2]=4 78 B11R1.166 CC1=CC[C@H](C(=O)C1)C(C)C CNP0354398.1 [0,0,1,1,0,0|0,0,2]=4 79 B11R1.342 CC1(CCCC(=CC=O)C1)C CNP0143280.0 [0,0,1,1,0,0|0,0,2]=4 80 B11R1.562 C/C/1=C/C=C\[C@@](C/C=C1)(C)O CNP0143835.1 [0,0,1,1,0,0|2,0,0]=4 81 B11R1.87 CC(C)(C)C1=CC=CC=C1O CNP0079851.0 [0,0,1,1,0,0|2,0,0]=4 82 B11R1.561 CC1=CC=CC(CC1=O)(C)C CNP0265210.0 [0,0,1,1,0,0|0,0,2]=4 83 B13R2.5181 CC1=CC[C@H]2C(=O)O[C@@H]1C2(C)C CNP0134472.1 [0,1,0,1,0,0|0,0,2]=4 84 B9R0.48 CC=CC(=CC=C(C)C)C CNP0423070.0 [0,0,1,0,1,0|1,0,1]=4 85 B9R1.24 CCC1=CC=CC1(C)C CNP0109712.0 [1,0,0,0,1,0|1,0,1]=4 86 B9R1.27 CC1=C([C@H](CO1)C)C=O CNP0333364.1 [1,0,0,0,1,0|1,0,0]=3 87 B9R1.138 CC1=C(C(C=C1)(C)C)C CNP0350269.0 [1,0,0,0,1,0|0,0,1]=3 88 B9R1.138 CC1=C(C(CC1)(C)C)C CNP0159239.0 [1,0,0,0,1,0|0,0,2]=4 89 B11R1.569 CC1=CC=CCC(C1=O)(C)C CNP0331827.0 [1,0,0,0,0,1|0,0,0]=2