0 B11R0.40 C#CC(=O)C=CCCCCCC CNP0575138.0 [0,0,0,0,0,0|1,0,1]=2 1 B11R0.40 C#CC(O)C=CCCCCCC CNP0540636.0 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.40 C#CCCCCCCC(=O)OC CNP0316329.0 [0,0,0,0,0,0|0,0,4]=4 3 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [0,0,0,0,0,0|2,0,2]=4 4 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [0,0,0,0,0,0|1,0,3]=4 5 B11R0.40 C=CCCCC=CCC(=O)OC CNP0572921.0 [0,0,0,0,0,0|0,0,4]=4 6 B11R0.40 CC=CCCCCCC(=O)OC CNP0525056.0 [0,0,0,0,0,0|0,0,4]=4 7 B11R0.40 CCC=CCC=CCC(=O)OC CNP0525214.0 [0,0,0,0,0,0|0,0,4]=4 8 B11R0.40 CCC=CCCC=CC(=O)OC CNP0311960.0 [0,0,0,0,0,0|0,0,2]=2 9 B11R0.40 CCC=CCCCCC(=O)OC CNP0111381.0 [0,0,0,0,0,0|0,0,4]=4 10 B11R0.40 CCCCC=CCCC(=O)OC CNP0611978.0 [0,0,0,0,0,0|0,0,4]=4 11 B11R0.40 CCCCCC=CCC(=O)OC CNP0154150.0 [0,0,0,0,0,0|0,0,2]=2 12 B11R0.40 CCCCCCC#CC(=O)OC CNP0282401.0 [0,0,0,0,0,0|0,0,2]=2 13 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [0,0,0,0,0,0|0,0,0]=0 14 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,0,0,0,0,0|1,0,2]=3 15 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,0,0,0,0,0|0,0,2]=2 16 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,0,0,0,0,0|2,0,1]=3 17 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [0,0,0,0,0,0|1,0,2]=3 18 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [1,0,0,0,0,0|1,0,2]=4 19 B10R0.4 CCC=CCCC=CC(=O)O CNP0115427.0 [1,0,0,0,0,0|0,0,2]=3 20 B10R0.4 CCCCC=CC=CC(=O)O CNP0140423.0 [1,0,0,0,0,0|0,0,2]=3 21 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [1,0,0,0,0,0|0,0,3]=4 22 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [1,0,0,0,0,0|1,0,2]=4 23 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [1,0,0,0,0,0|0,0,2]=3 24 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [1,0,0,0,0,0|1,0,1]=3 25 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [1,0,0,0,0,0|0,0,0]=1 26 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [1,0,0,0,0,0|1,0,0]=2 27 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [1,0,0,0,0,0|1,0,0]=2 28 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [1,0,0,0,0,0|0,0,0]=1 29 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [1,0,0,0,0,0|0,0,2]=3 30 B10R0.4 CCCCCCC=NN(C)C CNP0085650.0 [1,0,0,0,0,0|3,0,0]=4 31 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [1,0,0,0,0,0|0,0,2]=3 32 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [1,0,0,0,0,0|1,0,2]=4 33 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [1,0,0,0,0,0|1,0,2]=4 34 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [1,0,0,0,0,0|0,0,2]=3 35 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [1,0,0,0,0,0|1,0,1]=3 36 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [1,0,0,0,0,0|2,0,1]=4 37 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [1,0,0,0,0,0|1,0,2]=4 38 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [1,0,0,0,0,0|1,0,2]=4 39 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [1,0,0,0,0,0|1,0,2]=4 40 B10R0.71 C=CC=CC=CCCCCC CNP0263390.0 [1,0,0,0,0,0|1,0,2]=4 41 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [1,0,0,0,0,0|1,0,2]=4 42 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [1,0,0,0,0,0|1,0,2]=4 43 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [1,0,0,0,0,0|1,0,1]=3 44 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [1,0,0,0,0,0|2,0,1]=4 45 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [1,0,0,0,0,0|1,0,1]=3 46 B10R0.71 CCCC=CCOCCCC CNP0076694.0 [1,0,0,0,0,0|2,0,1]=4 47 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [1,0,0,0,0,0|2,0,1]=4 48 B10R0.71 CCCCCC=CC=CCO CNP0002926.0 [1,0,0,0,0,0|2,0,1]=4 49 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [1,0,0,0,0,0|2,0,1]=4 50 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [1,0,0,0,0,0|2,0,1]=4 51 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [1,0,0,0,0,0|2,0,1]=4 52 B10R0.71 CCCCCCCCCOC CNP0246631.0 [1,0,0,0,0,0|0,0,3]=4 53 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [1,0,0,0,0,0|1,0,2]=4 54 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [1,0,0,0,0,0|0,0,3]=4 55 B10R0.74 CCCC#CC=CC(=O)OC CNP0126459.0 [1,0,0,0,0,0|0,0,2]=3 56 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [1,0,0,0,0,0|0,0,3]=4 57 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [1,0,0,0,0,0|0,0,2]=3 58 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [1,0,0,0,0,0|0,0,0]=1 59 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [1,0,0,0,0,0|1,0,1]=3 60 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [1,0,0,0,0,0|0,0,1]=2 61 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [1,0,0,0,0,0|1,0,1]=3 62 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [1,0,0,0,0,0|0,1,1]=3 63 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [1,0,0,0,0,0|1,0,2]=4 64 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [1,0,0,0,0,0|2,0,0]=3 65 B12R0.1 CC=CC(=O)CCCCCCCC CNP0482568.0 [0,1,0,0,0,0|1,0,2]=4 66 B12R0.1 CCC=CCCC=CC(=O)NCC CNP0190777.0 [0,1,0,0,0,0|1,0,2]=4 67 B12R0.1 CCCCCC=CCC(=O)OCC CNP0584413.0 [0,1,0,0,0,0|0,0,2]=3 68 B12R0.1 CCCCCCC#CC(=O)OCC CNP0031634.0 [0,1,0,0,0,0|0,0,2]=3 69 B12R0.1 CCCCCCC=CC(=O)OCC CNP0307887.0 [0,1,0,0,0,0|0,0,0]=1 70 B12R0.1 CCCCCCCCC(=O)OCC CNP0255123.0 [0,1,0,0,0,0|0,0,2]=3 71 B12R0.1 CCCCCCCOC(=O)CCC CNP0077240.0 [0,1,0,0,0,0|2,0,1]=4 72 B12R0.49 CC=C(C)C(=O)OCCCCCC CNP0081467.0 [0,1,0,0,0,0|3,0,0]=4 73 B12R0.49 CCCCCCCC(=O)C(=O)OC CNP0530649.0 [0,1,0,0,0,0|0,0,1]=2 74 B12R0.113 CCCCCC[C@@H](O)CC(=O)OC CNP0110177.2 [0,1,0,0,0,0|0,0,2]=3 75 B12R0.113 CCCCCC[C@H](O)CC(=O)OC CNP0110177.1 [0,1,0,0,0,0|0,0,2]=3 76 B12R0.142 CCCCCC(=O)CCC(=O)OC CNP0204894.0 [0,1,0,0,0,0|0,0,3]=4 77 B12R0.142 CCCCCC(C)COC(=O)CC CNP0293921.0 [0,1,0,0,0,0|2,0,1]=4 78 B12R0.184 COC(=O)CCCCCCC(C)C CNP0053571.0 [0,1,0,0,0,0|0,0,2]=3 79 B12R0.184 COC(=O)CCCCCC[C@@H](C)O CNP0200547.1 [0,1,0,0,0,0|0,0,2]=3 80 B12R0.248 C#CCCCCCCCC(=O)OC CNP0179424.0 [0,1,0,0,0,0|0,0,3]=4 81 B12R0.248 C=CCCCCCCCC(=O)OC CNP0363612.0 [0,1,0,0,0,0|0,0,3]=4 82 B12R0.248 CCC=CCC=CC=CC(=O)OC CNP0018410.0 [0,1,0,0,0,0|0,0,3]=4 83 B12R0.248 CCCC#CC#CC=CC(=O)OC CNP0174608.0 [0,1,0,0,0,0|0,0,3]=4 84 B12R0.248 CCCC=CC#CC=CC(=O)OC CNP0320409.0 [0,1,0,0,0,0|0,0,3]=4 85 B12R0.248 CCCC=CC=CC=CC(=O)OC CNP0248466.0 [0,1,0,0,0,0|0,0,3]=4 86 B12R0.248 CCCCCC=CC=CC(=O)OC CNP0149314.0 [0,1,0,0,0,0|0,0,1]=2 87 B12R0.248 CCCCCC=CCCC(=O)OC CNP0112743.0 [0,1,0,0,0,0|0,0,2]=3 88 B12R0.248 CCCCCCCC=CC(=O)OC CNP0075998.0 [0,1,0,0,0,0|0,0,0]=1 89 B12R0.248 CCCCCCCCCC(=O)CC CNP0517584.0 [0,1,0,0,0,0|1,0,2]=4 90 B12R0.248 CCCCCCCCCC(=O)OC CNP0223324.0 [0,1,0,0,0,0|0,0,2]=3 91 B12R0.248 CCCCCCCCOC(=O)CC CNP0215951.0 [0,1,0,0,0,0|1,0,2]=4 92 B12R0.248 COC(=O)CCCCCCCC=O CNP0287915.0 [0,1,0,0,0,0|0,0,3]=4 93 B12R0.248 COC(=O)CCCCCCCCO CNP0294192.0 [0,1,0,0,0,0|0,0,2]=3 94 B12R0.251 CCCCCCCCC(=O)C(=O)C CNP0137948.0 [0,1,0,0,0,0|1,0,2]=4 95 B12R0.251 CCCCCCCOC(=O)C(C)C CNP0272974.0 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.1 CCCCCC1=COC(=O)C=C1 CNP0537996.0 [0,0,0,1,0,0|0,0,2]=3 97 B12R1.1 CCCCCC1COC(=O)CO1 CNP0556018.0 [0,0,0,1,0,0|1,0,1]=3 98 B12R1.7 CCCCCCC1=CCC(=O)O1 CNP0519706.0 [0,0,0,1,0,0|2,0,1]=4 99 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 CNP0229807.1 [0,0,0,1,0,0|2,0,1]=4 100 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 CNP0229807.2 [0,0,0,1,0,0|2,0,1]=4 101 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,0,0,1,0,0|0,0,0]=1 102 B12R1.348 CCCC[C@H]1C=CC(=O)C=CC1 CNP0431580.1 [0,0,0,1,0,0|1,0,1]=3 103 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [2,0,0,0,0,0|1,0,1]=4 104 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [2,0,0,0,0,0|2,0,0]=4 105 B9R0.2 CC=CCCC=CC(=O)O CNP0585544.0 [2,0,0,0,0,0|0,0,2]=4 106 B9R0.2 CCCC=CC=CC(=O)O CNP0529774.0 [2,0,0,0,0,0|0,0,2]=4 107 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [2,0,0,0,0,0|0,0,2]=4 108 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [2,0,0,0,0,0|1,0,1]=4 109 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [2,0,0,0,0,0|0,0,0]=2 110 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [2,0,0,0,0,0|0,0,0]=2 111 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [2,0,0,0,0,0|0,0,1]=3 112 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [2,0,0,0,0,0|1,0,1]=4 113 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [2,0,0,0,0,0|1,0,1]=4 114 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [2,0,0,0,0,0|0,0,1]=3 115 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [2,0,0,0,0,0|0,0,2]=4 116 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [2,0,0,0,0,0|0,0,2]=4 117 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [2,0,0,0,0,0|0,0,2]=4 118 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [2,0,0,0,0,0|0,0,2]=4 119 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [2,0,0,0,0,0|0,0,2]=4 120 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [2,0,0,0,0,0|0,0,2]=4 121 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [2,0,0,0,0,0|1,0,1]=4 122 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [2,0,0,0,0,0|1,0,0]=3 123 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [2,0,0,0,0,0|1,0,1]=4 124 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [2,0,0,0,0,0|1,0,1]=4 125 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [2,0,0,0,0,0|0,0,2]=4 126 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [2,0,0,0,0,0|0,0,1]=3 127 B9R0.45 C=CCCCCC=CC=O CNP0336922.0 [2,0,0,0,0,0|0,0,2]=4 128 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [2,0,0,0,0,0|0,0,1]=3 129 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [2,0,0,0,0,0|0,0,2]=4 130 B9R0.45 CCC=CCCCCCC CNP0223572.0 [2,0,0,0,0,0|0,0,1]=3 131 B9R0.45 CCC=CCCCCCO CNP0246173.0 [2,0,0,0,0,0|1,0,1]=4 132 B9R0.45 CCCC=CCCCCC CNP0076954.0 [2,0,0,0,0,0|1,0,1]=4 133 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [2,0,0,0,0,0|0,0,2]=4 134 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [2,0,0,0,0,0|0,0,2]=4 135 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [2,0,0,0,0,0|0,0,0]=2 136 B9R0.45 CCCCCCC=CCO CNP0303395.0 [2,0,0,0,0,0|0,0,1]=3 137 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [2,0,0,0,0,0|0,0,2]=4 138 B9R0.45 CCCCCCCC=CO CNP0085832.0 [2,0,0,0,0,0|0,0,1]=3 139 B9R0.45 CCCCCCCC=NO CNP0247046.0 [2,0,0,0,0,0|1,0,1]=4 140 B9R0.45 CCCCCCCCC=O CNP0328165.0 [2,0,0,0,0,0|0,0,2]=4 141 B9R0.45 CCCCCCCCOC CNP0305574.0 [2,0,0,0,0,0|0,0,2]=4 142 B9R0.45 CCCCCCCNC=O CNP0503918.0 [2,0,0,0,0,0|1,0,1]=4 143 B9R0.45 CCCCCCCOC=O CNP0272781.0 [2,0,0,0,0,0|1,0,1]=4 144 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [2,0,0,0,0,0|1,0,1]=4 145 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [2,0,0,0,0,0|0,0,2]=4 146 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [2,0,0,0,0,0|0,0,0]=2 147 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [2,0,0,0,0,0|1,0,0]=3 148 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [2,0,0,0,0,0|2,0,0]=4 149 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [2,0,0,0,0,0|0,0,0]=2 150 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [2,0,0,0,0,0|1,0,1]=4 151 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [2,0,0,0,0,0|2,0,0]=4 152 B11R0.2 CCCCCC=C(C)OC(=O)C CNP0540490.0 [1,1,0,0,0,0|1,0,1]=4 153 B11R0.2 CCCCCCC(=CC(=O)O)Br CNP0266520.0 [1,1,0,0,0,0|0,0,0]=2 154 B11R0.2 CCCCCCC(C)C=C(C)C CNP0611380.0 [1,1,0,0,0,0|1,0,1]=4 155 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [1,1,0,0,0,0|0,0,2]=4 156 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [1,1,0,0,0,0|1,0,1]=4 157 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [1,1,0,0,0,0|0,0,2]=4 158 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [1,1,0,0,0,0|0,0,2]=4 159 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [1,1,0,0,0,0|0,0,2]=4 160 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [1,1,0,0,0,0|0,0,2]=4 161 B11R0.30 O=C(O)C=CCCCCC(=O)O CNP0084482.0 [1,1,0,0,0,0|1,0,1]=4 162 B11R0.42 CCCCCCC=C(C)C(=O)C CNP0534453.0 [1,1,0,0,0,0|0,0,0]=2 163 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [1,1,0,0,0,0|0,0,2]=4 164 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [1,1,0,0,0,0|0,0,2]=4 165 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [1,1,0,0,0,0|0,0,2]=4 166 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [1,1,0,0,0,0|0,0,2]=4 167 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [1,1,0,0,0,0|0,0,2]=4 168 B11R0.42 CSCCCCCC(=O)C(=O)O CNP0161779.0 [1,1,0,0,0,0|1,0,1]=4 169 B11R0.46 CCCCCC(=O)C=CC(=O)O CNP0301598.0 [1,1,0,0,0,0|0,0,1]=3 170 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [1,1,0,0,0,0|0,0,2]=4 171 B11R0.46 CCCCC[C@@H](O)/C=C/C(=O)O CNP0337498.2 [1,1,0,0,0,0|0,0,0]=2 172 B11R0.46 CCCCC[C@@H](O)/C=C\C(=O)O CNP0337498.1 [1,1,0,0,0,0|0,0,0]=2 173 B11R0.46 CCCCC[C@@H](O)C=CC(=O)O CNP0337498.5 [1,1,0,0,0,0|0,0,0]=2 174 B11R0.46 CCCCC[C@H](O)/C=C/C(=O)O CNP0337498.3 [1,1,0,0,0,0|0,0,0]=2 175 B11R0.46 CCCCC[C@H](O)C=CC(=O)O CNP0337498.4 [1,1,0,0,0,0|0,0,0]=2 176 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [1,1,0,0,0,0|0,0,2]=4 177 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [1,1,0,0,0,0|1,0,1]=4 178 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [1,1,0,0,0,0|0,0,2]=4 179 B11R0.148 CCCCCC=CC=CC(=O)N CNP0278760.0 [1,1,0,0,0,0|1,0,1]=4 180 B11R0.148 CCCCCC=CC=CC(=O)O CNP0190967.0 [1,1,0,0,0,0|0,0,1]=3 181 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [1,1,0,0,0,0|0,0,2]=4 182 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [1,1,0,0,0,0|0,0,2]=4 183 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [1,1,0,0,0,0|0,0,2]=4 184 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [1,1,0,0,0,0|0,0,0]=2 185 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [1,1,0,0,0,0|0,0,0]=2 186 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [1,1,0,0,0,0|0,0,0]=2 187 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [1,1,0,0,0,0|1,0,0]=3 188 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [1,1,0,0,0,0|0,0,0]=2 189 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [1,1,0,0,0,0|1,0,1]=4 190 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [1,1,0,0,0,0|0,0,2]=4 191 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [1,1,0,0,0,0|0,0,2]=4 192 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [1,1,0,0,0,0|0,0,2]=4 193 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [1,1,0,0,0,0|0,0,2]=4 194 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [1,1,0,0,0,0|0,0,2]=4 195 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [1,1,0,0,0,0|1,0,1]=4 196 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [1,1,0,0,0,0|0,0,2]=4 197 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [1,1,0,0,0,0|0,0,2]=4 198 B11R0.176 CCCC(O)C=CC=CC(=O)O CNP0073641.0 [1,1,0,0,0,0|0,0,2]=4 199 B11R0.176 CCCC(O)CCC=CC(=O)O CNP0073639.0 [1,1,0,0,0,0|0,0,0]=2 200 B11R0.3 C=CC=CC=CCCCCCC CNP0076022.0 [1,1,0,0,0,0|1,0,1]=4 201 B11R0.3 CC=CC=CCCCCCCC CNP0241958.0 [1,1,0,0,0,0|1,0,0]=3 202 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [1,1,0,0,0,0|1,0,1]=4 203 B11R0.3 CCCC=CCCCCCCO CNP0282171.0 [1,1,0,0,0,0|1,0,1]=4 204 B11R0.3 CCCCCCC=CC=CC=O CNP0162200.0 [1,1,0,0,0,0|1,0,1]=4 205 B11R0.4 C/C=C/C=C/CC[C@H](O)CCC CNP0425665.1 [1,1,0,0,0,0|1,0,0]=3 206 B11R0.4 CC=CC(=O)OCCCCCC CNP0002922.0 [1,1,0,0,0,0|2,0,0]=4 207 B11R0.140 CCC=CCC(C)CCCCC CNP0529708.0 [1,1,0,0,0,0|1,0,1]=4 208 B11R0.70 CCCCC(=O)CCC(=O)OC CNP0612026.0 [1,1,0,0,0,0|0,0,2]=4 209 B11R0.70 CCCCC(C)CCC(=O)OC CNP0076241.0 [1,1,0,0,0,0|0,0,1]=3 210 B11R0.70 CCCCC(C)COC(=O)CC CNP0584407.0 [1,1,0,0,0,0|2,0,0]=4 211 B11R0.106 CC[C@H](C)/C=C/C=C/C(=O)OC CNP0069809.1 [1,1,0,0,0,0|0,0,2]=4 212 B11R0.142 CCCCCC[C@@H](O)C(=O)OC CNP0039109.2 [1,1,0,0,0,0|0,0,1]=3 213 B11R0.142 CCCCCC[C@H](O)C(=O)OC CNP0039109.1 [1,1,0,0,0,0|0,0,1]=3 214 B11R0.154 CCCCC[C@@H](O)CC(=O)OC CNP0364637.1 [1,1,0,0,0,0|0,0,1]=3 215 B11R0.154 CCCCC[C@H](O)CC(=O)OC CNP0364637.2 [1,1,0,0,0,0|0,0,1]=3 216 B13R0.2 CCCCCC=CC=CC(=O)OCC CNP0259062.0 [0,2,0,0,0,0|0,0,1]=3 217 B13R0.2 CCCCCC=CCCC(=O)OCC CNP0247879.0 [0,2,0,0,0,0|0,0,2]=4 218 B13R0.2 CCCCCCC=COC(=O)CCC CNP0492034.0 [0,2,0,0,0,0|1,0,0]=3 219 B13R0.2 CCCCCCCC=CC(=O)OCC CNP0323878.0 [0,2,0,0,0,0|0,0,0]=2 220 B13R0.2 CCCCCCCCCC(=O)OCC CNP0245893.0 [0,2,0,0,0,0|0,0,2]=4 221 B13R0.2 CCOC(=O)CCCCCCCCO CNP0242583.0 [0,2,0,0,0,0|0,0,2]=4 222 B13R0.66 C=CCOC(=O)CCCCCCCC CNP0131773.0 [0,2,0,0,0,0|0,0,2]=4 223 B13R0.88 CCOC(=O)CCCCCC[C@@H](C)O CNP0112958.1 [0,2,0,0,0,0|0,0,2]=4 224 B13R0.330 CCCCCCC(=CC(=O)OCC)Br CNP0225649.0 [0,2,0,0,0,0|0,0,0]=2 225 B13R0.330 CCCCCC[C@H](O)CC(=O)OCC CNP0291447.1 [0,2,0,0,0,0|0,0,2]=4 226 B13R0.335 CCCCCCCCC(=O)OC(C)C CNP0003082.0 [0,2,0,0,0,0|0,0,2]=4 227 B13R0.340 CCCCCCCC[C@@H](C)C(=O)OC CNP0315114.1 [0,2,0,0,0,0|0,0,2]=4 228 B13R0.369 CCC[C@H](C)CCC[C@@H](C)C(=O)OC CNP0311129.1 [0,2,0,0,0,0|0,0,2]=4 229 B13R0.369 COC(=O)/C(=C/CC[C@@H](C)CCO)/C CNP0251925.2 [0,2,0,0,0,0|1,0,0]=3 230 B13R0.369 COC(=O)/C(=C/CC[C@H](C)CCO)/C CNP0251925.1 [0,2,0,0,0,0|1,0,0]=3 231 B13R0.1293 CCCCC[C@H](C)C[C@@H](C)C(=O)OC CNP0332085.1 [0,2,0,0,0,0|0,0,2]=4 232 B13R0.194 CCCCCC(=O)CCCC(=O)OC CNP0227503.0 [0,2,0,0,0,0|0,0,2]=4 233 B13R0.274 CCCCCCC=C(C)CC(=O)OC CNP0372183.0 [0,2,0,0,0,0|0,0,0]=2 234 B13R0.274 CCCCCCC[C@H](O)CC(=O)OC CNP0172127.1 [0,2,0,0,0,0|0,0,2]=4 235 B13R0.493 COC(=O)CC[C@H](C)CCCC(C)C CNP0249400.1 [0,2,0,0,0,0|0,0,2]=4 236 B13R0.147 C#CCCCCCCCCC(=O)OC CNP0522205.0 [0,2,0,0,0,0|0,0,2]=4 237 B13R0.147 C=CCCCCCCCCC(=O)OC CNP0148219.0 [0,2,0,0,0,0|0,0,2]=4 238 B13R0.147 CC=CCCCCCCCC(=O)OC CNP0092960.0 [0,2,0,0,0,0|0,0,2]=4 239 B13R0.147 CCCC#CC#CCC=CC(=O)OC CNP0202508.0 [0,2,0,0,0,0|0,0,2]=4 240 B13R0.147 CCCCCCC=CC=CC(=O)OC CNP0612143.0 [0,2,0,0,0,0|0,0,0]=2 241 B13R0.147 CCCCCCC=CCOC(=O)CC CNP0256530.0 [0,2,0,0,0,0|1,0,0]=3 242 B13R0.147 CCCCCCCC=CCC(=O)CC CNP0527148.0 [0,2,0,0,0,0|1,0,0]=3 243 B13R0.147 CCCCCCCCC#CC(=O)OC CNP0140131.0 [0,2,0,0,0,0|0,0,2]=4 244 B13R0.147 CCCCCCCCC=CC(=O)OC CNP0122148.0 [0,2,0,0,0,0|0,0,0]=2 245 B13R0.147 CCCCCCCCCCC(=O)OC CNP0117266.0 [0,2,0,0,0,0|0,0,2]=4 246 B13R0.147 COC(=O)C=CCCCCCCCO CNP0218428.0 [0,2,0,0,0,0|0,0,0]=2 247 B13R0.202 COC(=O)C=CCCCCCC(=O)C CNP0169349.0 [0,2,0,0,0,0|0,0,0]=2 248 B13R0.202 COC(=O)CCCCCCCC(=O)C CNP0550064.0 [0,2,0,0,0,0|0,0,2]=4 249 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [1,0,0,1,0,0|0,0,2]=4 250 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [1,0,0,1,0,0|1,0,1]=4 251 B11R1.27 CC/C=C\C[C@@H]1C=CC(=O)O1 CNP0289992.1 [1,0,0,1,0,0|0,0,2]=4 252 B11R1.27 CC/C=C\C[C@H]1C=CC(=O)O1 CNP0289992.2 [1,0,0,1,0,0|0,0,2]=4 253 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [1,0,0,1,0,0|0,0,2]=4 254 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [1,0,0,1,0,0|0,0,0]=2 255 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [1,0,0,1,0,0|0,0,2]=4 256 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [1,0,0,1,0,0|0,0,2]=4 257 B11R1.86 CC(=O)NC1=C(CCCC1)C CNP0186998.0 [1,0,0,1,0,0|1,0,1]=4 258 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [1,0,0,1,0,0|0,0,2]=4 259 B11R1.91 O=C(O)C=CC1=CCCCC1 CNP0158200.0 [1,0,0,1,0,0|0,0,2]=4 260 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [1,0,0,1,0,0|0,0,2]=4 261 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [1,0,0,1,0,0|0,0,0]=2 262 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [1,0,0,1,0,0|0,0,2]=4 263 B11R1.4 CCCCCCC1=CC=CN1 CNP0018367.0 [1,0,0,1,0,0|2,0,0]=4 264 B11R1.4 CCCCCCC1=CC=CO1 CNP0305092.0 [1,0,0,1,0,0|2,0,0]=4 265 B11R1.4 CCCCCCC1=CC=CS1 CNP0087331.0 [1,0,0,1,0,0|2,0,0]=4 266 B11R1.28 C/C=C/C=C/[C@@H]1CCCCN1 CNP0346863.2 [1,0,0,1,0,0|2,0,0]=4 267 B11R1.28 C/C=C/C=C/[C@H]1CCCCN1 CNP0346863.1 [1,0,0,1,0,0|2,0,0]=4 268 B11R1.28 CCCCCC1=CC=CCC1 CNP0611886.0 [1,0,0,1,0,0|1,0,1]=4 269 B11R1.28 CCCCC[C@@H]1C=CC=CC1 CNP0281736.1 [1,0,0,1,0,0|1,0,0]=3 270 B11R1.1 CCCCC1CCC(=O)CC1 CNP0076060.0 [1,0,0,1,0,0|1,0,1]=4 271 B11R1.1 CCCCC1COC(=O)CO1 CNP0527712.0 [1,0,0,1,0,0|1,0,1]=4 272 B11R1.25 COC(=O)C=CN1CCCC1 CNP0209325.0 [1,0,0,1,0,0|1,0,0]=3 273 B11R1.40 CCC(=O)OC1CCCCC1 CNP0394209.0 [1,0,0,1,0,0|2,0,0]=4 274 B11R1.40 COC(=O)C=C1C=CCCC1 CNP0281793.0 [1,0,0,1,0,0|0,0,2]=4 275 B11R1.228 COC(=O)C[C@@H]1CCCN1C CNP0238623.1 [1,0,0,1,0,0|1,0,1]=4 276 B13R1.6 CCCCCCC1COCC(=O)O1 CNP0002639.0 [0,1,0,1,0,0|1,0,1]=4 277 B13R1.42 CCOC(=O)CCC1CCCCC1 CNP0003502.0 [0,1,0,1,0,0|0,0,2]=4 278 B13R1.190 CCCCCCC1=C(OC(=N1)C)C CNP0155019.0 [0,1,0,1,0,0|2,0,0]=4 279 B13R1.279 O=C1CCCCCCCCCCO1 CNP0348572.0 [0,1,0,1,0,0|0,0,2]=4 280 B13R1.3821 CC1CCCCCCC(=O)OC1C CNP0207162.0 [0,1,0,1,0,0|0,0,2]=4 281 B13R1.189 CCCCCCC1=NC(=CS1)CC CNP0002528.0 [0,1,0,1,0,0|2,0,0]=4 282 B13R1.371 CCCCCC1=CC=C(C=C1)OC CNP0505524.0 [0,1,0,1,0,0|1,0,1]=4 283 B13R1.2880 C=C(C)C1CCCC1=CC(=O)OC CNP0264250.0 [0,1,0,1,0,0|0,0,1]=3 284 B13R1.9 CCCCCCC1COC(=O)CO1 CNP0002636.0 [0,1,0,1,0,0|0,0,2]=4 285 B13R2.162 CC1CCCC2C1OC(=O)CC2 CNP0582072.0 [0,0,0,2,0,0|0,0,2]=4 286 B13R2.1153 COC(=O)C1=CN2CCC1CC2 CNP0367074.0 [0,0,0,2,0,0|1,0,0]=3 287 B13R2.1095 COC(=O)[C@H]1CC[C@@H]2N1CCC2 CNP0315859.1 [0,0,0,2,0,0|1,0,1]=4 288 B13R2.5067 CC12CCCCC1=CC(=O)CC2 CNP0589092.0 [0,0,0,2,0,0|1,0,0]=3