0 B11R0.40 C#CC(=O)C=CCCCCCC CNP0575138.0 [0,0,0,0,0,0|1,0,3]=4 1 B11R0.40 C#CCCCCCCC(=O)OC CNP0316329.0 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [0,0,0,0,0,0|2,0,0]=2 3 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [0,0,0,0,0,0|1,0,1]=2 4 B11R0.40 C=CCCCC=CCC(=O)OC CNP0572921.0 [0,0,0,0,0,0|0,0,4]=4 5 B11R0.40 C=C[C@@H](O)CCCCCCCC CNP0175244.1 [0,0,0,0,0,0|1,0,3]=4 6 B11R0.40 CC=CCCCCCC(=O)OC CNP0525056.0 [0,0,0,0,0,0|0,0,2]=2 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|0,0,4]=4 9 B11R0.40 CCC=CCCCCC(=O)OC CNP0111381.0 [0,0,0,0,0,0|0,0,2]=2 10 B11R0.40 CCCCC=CCCC(=O)OC CNP0611978.0 [0,0,0,0,0,0|0,0,2]=2 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|0,0,2]=2 14 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [0,0,0,0,0,0|1,0,0]=1 15 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [0,0,0,0,0,0|0,0,0]=0 16 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [0,0,0,0,0,0|1,0,2]=3 17 B11R0.40 CCCCCCCCC(O)CO CNP0094301.0 [0,0,0,0,0,0|2,0,2]=4 18 B11R0.40 CCCCCCCC[C@H](C)CC CNP0096496.1 [0,0,0,0,0,0|2,0,1]=3 19 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [0,0,0,0,0,0|2,0,0]=2 20 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [0,0,0,0,0,0|1,0,0]=1 21 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [1,0,0,0,0,0|0,0,2]=3 22 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [1,0,0,0,0,0|0,0,2]=3 23 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [1,0,0,0,0,0|0,0,2]=3 24 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [1,0,0,0,0,0|1,0,0]=2 25 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [1,0,0,0,0,0|1,0,2]=4 26 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [1,0,0,0,0,0|0,0,2]=3 27 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [1,0,0,0,0,0|0,0,2]=3 28 B10R0.4 CCCC=CCCOC(=O)C CNP0002801.0 [1,0,0,0,0,0|1,0,2]=4 29 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [1,0,0,0,0,0|1,0,2]=4 30 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [1,0,0,0,0,0|0,0,2]=3 31 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [1,0,0,0,0,0|1,0,2]=4 32 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [1,0,0,0,0,0|0,0,2]=3 33 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [1,0,0,0,0,0|1,0,2]=4 34 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [1,0,0,0,0,0|0,0,2]=3 35 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [1,0,0,0,0,0|1,0,2]=4 36 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [1,0,0,0,0,0|1,0,2]=4 37 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [1,0,0,0,0,0|0,0,2]=3 38 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [1,0,0,0,0,0|0,0,0]=1 39 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [1,0,0,0,0,0|1,0,0]=2 40 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [1,0,0,0,0,0|1,0,0]=2 41 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [1,0,0,0,0,0|0,0,0]=1 42 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [1,0,0,0,0,0|1,0,1]=3 43 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [1,0,0,0,0,0|0,0,2]=3 44 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [1,0,0,0,0,0|0,0,2]=3 45 B10R0.4 CCCCCCCC[S@@+](C)[O-] CNP0591138.1 [1,0,0,0,0,0|1,0,1]=3 46 B10R0.4 CCCCCCCC[S@@H+](C)[O-] CNP0547164.1 [1,0,0,0,0,0|1,0,1]=3 47 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [1,0,0,0,0,0|1,0,0]=2 48 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [1,0,0,0,0,0|2,0,0]=3 49 B10R0.4 C[S+]([O-])CCCCCCCN CNP0536985.0 [1,0,0,0,0,0|2,0,1]=4 50 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [1,0,0,0,0,0|1,0,0]=2 51 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [1,0,0,0,0,0|2,0,0]=3 52 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [1,0,0,0,0,0|2,0,0]=3 53 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [1,0,0,0,0,0|1,0,0]=2 54 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [1,0,0,0,0,0|1,0,0]=2 55 B10R0.71 C#CCCCCCCCCC CNP0601883.0 [1,0,0,0,0,0|1,0,2]=4 56 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [1,0,0,0,0,0|1,0,2]=4 57 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [1,0,0,0,0,0|1,0,0]=2 58 B10R0.71 CCC#CCCCCCCC CNP0585103.0 [1,0,0,0,0,0|1,0,2]=4 59 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [1,0,0,0,0,0|1,0,1]=3 60 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [1,0,0,0,0,0|2,0,1]=4 61 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [1,0,0,0,0,0|2,0,1]=4 62 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [1,0,0,0,0,0|2,0,1]=4 63 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [1,0,0,0,0,0|2,0,0]=3 64 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [1,0,0,0,0,0|2,0,1]=4 65 B10R0.71 CCCCCCCCCCC CNP0270748.0 [1,0,0,0,0,0|1,0,1]=3 66 B10R0.71 CCCCCCCCCCI CNP0573243.0 [1,0,0,0,0,0|2,0,1]=4 67 B10R0.71 CCCCCCCCCCN CNP0456638.0 [1,0,0,0,0,0|2,0,1]=4 68 B10R0.71 CCCCCCCCCCO CNP0305576.0 [1,0,0,0,0,0|2,0,1]=4 69 B10R0.71 CCCCCCCCCCS CNP0541016.0 [1,0,0,0,0,0|2,0,1]=4 70 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [1,0,0,0,0,0|1,0,1]=3 71 B10R0.71 CCCCCCCCCOC CNP0246631.0 [1,0,0,0,0,0|0,0,1]=2 72 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [1,0,0,0,0,0|3,0,0]=4 73 B10R0.71 CCCCCCCCOCC CNP0319929.0 [1,0,0,0,0,0|2,0,0]=3 74 B10R0.71 CCCCCNCCCCC CNP0450899.0 [1,0,0,0,0,0|2,0,1]=4 75 B10R0.71 CSCCCCCCC=NO CNP0274006.0 [1,0,0,0,0,0|3,0,0]=4 76 B10R0.71 CSCCCCCCCCN CNP0083876.0 [1,0,0,0,0,0|1,1,1]=4 77 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [1,0,0,0,0,0|2,0,1]=4 78 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [1,0,0,0,0,0|1,0,1]=3 79 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [1,0,0,0,0,0|0,0,2]=3 80 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [1,0,0,0,0,0|0,0,2]=3 81 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [1,0,0,0,0,0|0,0,2]=3 82 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [1,0,0,0,0,0|0,0,2]=3 83 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [1,0,0,0,0,0|3,0,0]=4 84 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [1,0,0,0,0,0|1,0,0]=2 85 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [1,0,0,0,0,0|0,0,0]=1 86 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [1,0,0,0,0,0|1,0,0]=2 87 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [1,0,0,0,0,0|0,1,0]=2 88 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [1,0,0,0,0,0|1,0,1]=3 89 B10R0.74 CCCCCCCC(Cl)CC CNP0573579.0 [1,0,0,0,0,0|2,0,1]=4 90 B10R0.74 CCCCCCC[C@@H](C)CC CNP0202505.2 [1,0,0,0,0,0|2,0,1]=4 91 B10R0.74 CCCCCCC[C@@H](O)CC CNP0233369.2 [1,0,0,0,0,0|1,0,2]=4 92 B10R0.74 CCCCCCC[C@H](C)CC CNP0202505.1 [1,0,0,0,0,0|2,0,1]=4 93 B10R0.74 CCCCCCC[C@H](O)CC CNP0233369.1 [1,0,0,0,0,0|1,0,2]=4 94 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [1,0,0,0,0,0|2,0,0]=3 95 B12R0.1 CC=CC(=O)CCCCCCCC CNP0482568.0 [0,1,0,0,0,0|1,0,0]=2 96 B12R0.1 CCCCCC=CCC(=O)OCC CNP0584413.0 [0,1,0,0,0,0|0,0,2]=3 97 B12R0.1 CCCCCCC#CC(=O)OCC CNP0031634.0 [0,1,0,0,0,0|0,0,2]=3 98 B12R0.1 CCCCCCC=CC(=O)OCC CNP0307887.0 [0,1,0,0,0,0|0,0,2]=3 99 B12R0.1 CCCCCCCCC(=O)OCC CNP0255123.0 [0,1,0,0,0,0|0,0,0]=1 100 B12R0.1 CCCCCCCCC(C)OC=O CNP0539343.0 [0,1,0,0,0,0|1,0,2]=4 101 B12R0.1 CCCCCCCC[C@H](C)CCC CNP0076722.1 [0,1,0,0,0,0|2,0,1]=4 102 B12R0.1 CCCCCCCC[S@@+]([O-])CCO CNP0546559.1 [0,1,0,0,0,0|2,0,1]=4 103 B12R0.1 CCCCCCCOC(=O)CCC CNP0077240.0 [0,1,0,0,0,0|2,0,0]=3 104 B12R0.49 CCCCCCCC(=O)C(=O)OC CNP0530649.0 [0,1,0,0,0,0|0,0,1]=2 105 B12R0.57 CCCCCCCCC(OC)OC CNP0339378.0 [0,1,0,0,0,0|0,0,2]=3 106 B12R0.113 CCCCCCC(C)CC(C)CC CNP0518692.0 [0,1,0,0,0,0|2,0,1]=4 107 B12R0.113 CCCCCC[C@@H](O)CC(=O)OC CNP0110177.2 [0,1,0,0,0,0|0,0,0]=1 108 B12R0.113 CCCCCC[C@H](O)CC(=O)OC CNP0110177.1 [0,1,0,0,0,0|0,0,0]=1 109 B12R0.142 CCCCCC(=O)CCC(=O)CO CNP0102753.0 [0,1,0,0,0,0|2,0,1]=4 110 B12R0.142 CCCCCC(=O)CCC(=O)OC CNP0204894.0 [0,1,0,0,0,0|0,0,1]=2 111 B12R0.142 CCCCCC(C)COC(=O)CC CNP0293921.0 [0,1,0,0,0,0|2,0,0]=3 112 B12R0.142 CCCCC[C@@H](C)CC[C@@H](C)CC CNP0119463.1 [0,1,0,0,0,0|2,0,1]=4 113 B12R0.142 CCCCC[C@H](C)CC[C@@H](C)CC CNP0119463.2 [0,1,0,0,0,0|2,0,1]=4 114 B12R0.142 CCCCC[C@H](C)CC[C@H](C)CC CNP0119463.3 [0,1,0,0,0,0|2,0,1]=4 115 B12R0.142 CCCCOC(=O)CCC(=O)OC CNP0325407.0 [0,1,0,0,0,0|1,0,1]=3 116 B12R0.183 COC(=O)CCCCCC(=O)OC CNP0193203.0 [0,1,0,0,0,0|1,0,1]=3 117 B12R0.184 C=CC(=O)OCCCCCC(C)C CNP0578427.0 [0,1,0,0,0,0|2,0,1]=4 118 B12R0.184 CCC(C)CCCCCCC(C)C CNP0128585.0 [0,1,0,0,0,0|2,0,1]=4 119 B12R0.184 COC(=O)CCCCCCC(=O)O CNP0275563.0 [0,1,0,0,0,0|1,0,1]=3 120 B12R0.184 COC(=O)CCCCCCC(C)C CNP0053571.0 [0,1,0,0,0,0|0,0,0]=1 121 B12R0.184 COC(=O)CCCCCC[C@@H](C)O CNP0200547.1 [0,1,0,0,0,0|0,0,0]=1 122 B12R0.248 C#CCCCCCCCC(=O)OC CNP0179424.0 [0,1,0,0,0,0|0,0,1]=2 123 B12R0.248 C#CCCCCCCC[C@@H](C)OC CNP0247921.1 [0,1,0,0,0,0|1,0,2]=4 124 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [0,1,0,0,0,0|1,0,1]=3 125 B12R0.248 C=CC(=O)OCCCCCCCC CNP0564168.0 [0,1,0,0,0,0|1,0,1]=3 126 B12R0.248 C=CCCCCCCCC(=O)C=C CNP0268545.0 [0,1,0,0,0,0|1,0,2]=4 127 B12R0.248 C=CCCCCCCCC(=O)OC CNP0363612.0 [0,1,0,0,0,0|0,0,1]=2 128 B12R0.248 CC=CCCC=CCCC(=O)OC CNP0178350.0 [0,1,0,0,0,0|0,0,3]=4 129 B12R0.248 CCC=CCCCCOC(=O)CC CNP0209959.0 [0,1,0,0,0,0|1,0,2]=4 130 B12R0.248 CCCC#CC#CCCC(=O)OC CNP0131971.0 [0,1,0,0,0,0|0,0,3]=4 131 B12R0.248 CCCCC=CCCOC(=O)CC CNP0105555.0 [0,1,0,0,0,0|1,0,2]=4 132 B12R0.248 CCCCCC=CC=CC(=O)OC CNP0149314.0 [0,1,0,0,0,0|0,0,3]=4 133 B12R0.248 CCCCCC=CCCC(=O)OC CNP0112743.0 [0,1,0,0,0,0|0,0,1]=2 134 B12R0.248 CCCCCCCC=CC(=O)OC CNP0075998.0 [0,1,0,0,0,0|0,0,1]=2 135 B12R0.248 CCCCCCCCCC(=NO)C CNP0318820.0 [0,1,0,0,0,0|3,0,0]=4 136 B12R0.248 CCCCCCCCCC(=O)CC CNP0517584.0 [0,1,0,0,0,0|1,0,0]=2 137 B12R0.248 CCCCCCCCCC(=O)OC CNP0223324.0 [0,1,0,0,0,0|0,0,0]=1 138 B12R0.248 CCCCCCCCCC(C)CC CNP0349662.0 [0,1,0,0,0,0|2,0,1]=4 139 B12R0.248 CCCCCCCCOC(=O)CC CNP0215951.0 [0,1,0,0,0,0|1,0,0]=2 140 B12R0.248 COC(=O)CCCCCCCC=O CNP0287915.0 [0,1,0,0,0,0|0,0,1]=2 141 B12R0.248 COC(=O)CCCCCCCCO CNP0294192.0 [0,1,0,0,0,0|0,0,0]=1 142 B12R0.251 CCCCCCCCC(=O)C(=O)C CNP0137948.0 [0,1,0,0,0,0|1,0,0]=2 143 B12R0.251 CCCCCCCCC(=O)C(=O)O CNP0332447.0 [0,1,0,0,0,0|2,0,0]=3 144 B12R0.251 CCCCCCCC[C@@H](C)C(=O)C CNP0076849.1 [0,1,0,0,0,0|2,0,1]=4 145 B12R0.251 CCCCCCCOC(=O)C(C)C CNP0272974.0 [0,1,0,0,0,0|2,0,0]=3 146 B12R0.251 CSCCCCCCC(=O)C(=O)O CNP0085458.0 [0,1,0,0,0,0|3,0,0]=4 147 B12R0.276 CCCC(C)CCCCC(C)CC CNP0282190.0 [0,1,0,0,0,0|2,0,1]=4 148 B12R1.1 CCCCCC1COC(=O)CO1 CNP0556018.0 [0,0,0,1,0,0|1,0,0]=2 149 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 CNP0229807.1 [0,0,0,1,0,0|2,0,0]=3 150 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 CNP0229807.2 [0,0,0,1,0,0|2,0,0]=3 151 B12R1.27 CCC(C)CCC1CCCCC1 CNP0595846.0 [0,0,0,1,0,0|2,0,1]=4 152 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,0,0,1,0,0|0,0,2]=3 153 B12R1.371 CCC(=O)C[C@H]1CCCCN1C CNP0321034.1 [0,0,0,1,0,0|2,0,0]=3 154 B12R1.454 CCCCCCC[C@@H]1O[C@@H]1CC CNP0425218.1 [0,0,0,1,0,0|1,0,2]=4 155 B12R1.455 CCCCC[C@H]1CCC(=N1)CC CNP0189691.1 [0,0,0,1,0,0|2,0,0]=3 156 B12R1.527 CCCCCC1=C(C(=O)CC1)O CNP0260422.0 [0,0,0,1,0,0|2,0,1]=4 157 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [2,0,0,0,0,0|0,0,2]=4 158 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [2,0,0,0,0,0|1,0,0]=3 159 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [2,0,0,0,0,0|2,0,0]=4 160 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [2,0,0,0,0,0|0,0,2]=4 161 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [2,0,0,0,0,0|0,0,2]=4 162 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [2,0,0,0,0,0|0,0,2]=4 163 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [2,0,0,0,0,0|0,0,2]=4 164 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [2,0,0,0,0,0|0,0,2]=4 165 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [2,0,0,0,0,0|0,0,2]=4 166 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [2,0,0,0,0,0|0,0,0]=2 167 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [2,0,0,0,0,0|1,0,0]=3 168 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [2,0,0,0,0,0|1,0,0]=3 169 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [2,0,0,0,0,0|0,0,0]=2 170 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [2,0,0,0,0,0|0,0,1]=3 171 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [2,0,0,0,0,0|0,0,1]=3 172 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [2,0,0,0,0,0|0,0,1]=3 173 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [2,0,0,0,0,0|0,0,1]=3 174 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [2,0,0,0,0,0|0,0,1]=3 175 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [2,0,0,0,0,0|0,0,1]=3 176 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [2,0,0,0,0,0|1,0,1]=4 177 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [2,0,0,0,0,0|0,0,2]=4 178 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [2,0,0,0,0,0|0,0,2]=4 179 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [2,0,0,0,0,0|1,0,0]=3 180 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [2,0,0,0,0,0|1,0,1]=4 181 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [2,0,0,0,0,0|1,0,0]=3 182 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [2,0,0,0,0,0|1,0,0]=3 183 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [2,0,0,0,0,0|2,0,0]=4 184 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [2,0,0,0,0,0|1,0,0]=3 185 B9R0.45 C#CCCCCCCCC CNP0272182.0 [2,0,0,0,0,0|0,0,2]=4 186 B9R0.45 C=CCCCCCCCC CNP0330037.0 [2,0,0,0,0,0|0,0,1]=3 187 B9R0.45 C=CCCCCCCCO CNP0326407.0 [2,0,0,0,0,0|1,0,1]=4 188 B9R0.45 CC#CCCCCCCC CNP0076890.0 [2,0,0,0,0,0|0,0,2]=4 189 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [2,0,0,0,0,0|0,0,2]=4 190 B9R0.45 CCC=CCCCCCC CNP0223572.0 [2,0,0,0,0,0|1,0,1]=4 191 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [2,0,0,0,0,0|0,0,2]=4 192 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [2,0,0,0,0,0|0,0,2]=4 193 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [2,0,0,0,0,0|0,0,2]=4 194 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [2,0,0,0,0,0|0,0,2]=4 195 B9R0.45 CCCCCCCC=CO CNP0085832.0 [2,0,0,0,0,0|0,0,1]=3 196 B9R0.45 CCCCCCCC=NO CNP0247046.0 [2,0,0,0,0,0|1,0,1]=4 197 B9R0.45 CCCCCCCCC#N CNP0309769.0 [2,0,0,0,0,0|1,0,1]=4 198 B9R0.45 CCCCCCCCC=O CNP0328165.0 [2,0,0,0,0,0|0,0,0]=2 199 B9R0.45 CCCCCCCCCC CNP0279708.0 [2,0,0,0,0,0|0,0,1]=3 200 B9R0.45 CCCCCCCCCI CNP0565198.0 [2,0,0,0,0,0|1,0,1]=4 201 B9R0.45 CCCCCCCCCO CNP0307663.0 [2,0,0,0,0,0|0,0,1]=3 202 B9R0.45 CCCCCCCCOC CNP0305574.0 [2,0,0,0,0,0|0,0,0]=2 203 B9R0.45 CCCCCCCNC=O CNP0503918.0 [2,0,0,0,0,0|1,0,0]=3 204 B9R0.45 CCCCCCCOC=O CNP0272781.0 [2,0,0,0,0,0|1,0,0]=3 205 B9R0.45 CCCCCCCOCC CNP0144632.0 [2,0,0,0,0,0|1,0,1]=4 206 B9R0.45 CCCCCCOCCC CNP0488672.0 [2,0,0,0,0,0|1,0,1]=4 207 B9R0.45 CCCCCOCCCC CNP0134382.0 [2,0,0,0,0,0|1,0,1]=4 208 B9R0.45 CCCCOCCCCO CNP0571704.0 [2,0,0,0,0,0|1,0,1]=4 209 B9R0.45 CCOCCOCCOC CNP0567615.0 [2,0,0,0,0,0|2,0,0]=4 210 B9R0.45 NCCCNCCCC=O CNP0100864.0 [2,0,0,0,0,0|2,0,0]=4 211 B9R0.45 OCCCCCCCCO CNP0076363.0 [2,0,0,0,0,0|1,0,1]=4 212 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [2,0,0,0,0,0|1,0,1]=4 213 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [2,0,0,0,0,0|0,0,2]=4 214 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [2,0,0,0,0,0|0,0,2]=4 215 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [2,0,0,0,0,0|1,0,0]=3 216 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [2,0,0,0,0,0|2,0,0]=4 217 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [2,0,0,0,0,0|0,0,0]=2 218 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [2,0,0,0,0,0|1,0,1]=4 219 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [2,0,0,0,0,0|2,0,0]=4 220 B11R0.2 CCC/C=C\C[C@@H](N)CC(=O)O CNP0252157.2 [1,1,0,0,0,0|0,0,2]=4 221 B11R0.2 CCC/C=C\C[C@H](N)CC(=O)O CNP0252157.1 [1,1,0,0,0,0|0,0,2]=4 222 B11R0.2 CCCCCCC(=CC(=O)O)Br CNP0266520.0 [1,1,0,0,0,0|0,0,2]=4 223 B11R0.2 CCCCCCC(C)C=C(C)C CNP0611380.0 [1,1,0,0,0,0|1,0,1]=4 224 B11R0.2 CCCCCCC(C)CC(C)C CNP0576324.0 [1,1,0,0,0,0|1,0,1]=4 225 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [1,1,0,0,0,0|0,0,0]=2 226 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [1,1,0,0,0,0|1,0,0]=3 227 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [1,1,0,0,0,0|0,0,0]=2 228 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [1,1,0,0,0,0|0,0,0]=2 229 B11R0.30 CC(=O)NCCCCCC(=O)O CNP0491775.0 [1,1,0,0,0,0|1,0,1]=4 230 B11R0.30 CC(C)C=CCCCCC(=O)O CNP0063333.0 [1,1,0,0,0,0|0,0,2]=4 231 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [1,1,0,0,0,0|0,0,0]=2 232 B11R0.30 CC(C)CCCCCCC(=O)[O-] CNP0537394.0 [1,1,0,0,0,0|0,0,1]=3 233 B11R0.30 CC(C)CCCCCCC(C)C CNP0502165.0 [1,1,0,0,0,0|1,0,1]=4 234 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [1,1,0,0,0,0|0,0,0]=2 235 B11R0.30 NC(=O)CCCCCCC(=O)O CNP0235183.0 [1,1,0,0,0,0|1,0,1]=4 236 B11R0.30 O=C(O)CCCCCCC(=O)O CNP0210905.0 [1,1,0,0,0,0|1,0,1]=4 237 B11R0.30 O=[14C](O)CCCCCC[14C](=O)O CNP0533577.0 [1,1,0,0,0,0|1,0,1]=4 238 B11R0.42 CCC/C=C\CC[C@@H](N)C(=O)O CNP0251237.2 [1,1,0,0,0,0|0,0,2]=4 239 B11R0.42 CCC/C=C\CC[C@H](N)C(=O)O CNP0251237.1 [1,1,0,0,0,0|0,0,2]=4 240 B11R0.42 CCCCCCC=C(C)C(=O)C CNP0534453.0 [1,1,0,0,0,0|0,0,2]=4 241 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [1,1,0,0,0,0|0,0,0]=2 242 B11R0.42 CCCCCCCC(C)C(C)C CNP0351892.0 [1,1,0,0,0,0|1,0,1]=4 243 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [1,1,0,0,0,0|0,0,0]=2 244 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [1,1,0,0,0,0|0,0,0]=2 245 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [1,1,0,0,0,0|0,0,0]=2 246 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [1,1,0,0,0,0|0,0,0]=2 247 B11R0.42 CSCCCCCC(=O)C(=O)O CNP0161779.0 [1,1,0,0,0,0|1,0,1]=4 248 B11R0.42 CSCCCCCC(N)C(=O)O CNP0045927.0 [1,1,0,0,0,0|1,0,0]=3 249 B11R0.42 NCCCCCC[C@H](N)C(=O)O CNP0522116.1 [1,1,0,0,0,0|1,0,0]=3 250 B11R0.42 NCCCNCC[C@H](N)C(=O)O CNP0485831.1 [1,1,0,0,0,0|2,0,0]=4 251 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [1,1,0,0,0,0|0,0,1]=3 252 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [1,1,0,0,0,0|0,0,1]=3 253 B11R0.46 CCCCCC(=O)NCC(=O)O CNP0098252.0 [1,1,0,0,0,0|1,0,1]=4 254 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [1,1,0,0,0,0|0,0,0]=2 255 B11R0.46 CCCCC[C@@H](O)/C=C/C(=O)O CNP0337498.2 [1,1,0,0,0,0|0,0,2]=4 256 B11R0.46 CCCCC[C@@H](O)/C=C\C(=O)O CNP0337498.1 [1,1,0,0,0,0|0,0,2]=4 257 B11R0.46 CCCCC[C@@H](O)C=CC(=O)O CNP0337498.5 [1,1,0,0,0,0|0,0,2]=4 258 B11R0.46 CCCCC[C@H](O)/C=C/C(=O)O CNP0337498.3 [1,1,0,0,0,0|0,0,2]=4 259 B11R0.46 CCCCC[C@H](O)C=CC(=O)O CNP0337498.4 [1,1,0,0,0,0|0,0,2]=4 260 B11R0.46 CCCCOC(=O)CCC(=O)C CNP0349279.0 [1,1,0,0,0,0|1,0,1]=4 261 B11R0.46 CCCCOC(=O)CCC(=O)O CNP0348497.0 [1,1,0,0,0,0|1,0,1]=4 262 B11R0.46 CNCCC[C@@H](C)CNC(=O)C CNP0195159.1 [1,1,0,0,0,0|2,0,0]=4 263 B11R0.111 CC[C@@H](C)CCCCC[C@@H](C)O CNP0340083.1 [1,1,0,0,0,0|0,0,2]=4 264 B11R0.111 CC[C@@H](C)CCCCC[C@H](C)O CNP0340083.2 [1,1,0,0,0,0|0,0,2]=4 265 B11R0.111 CC[C@H](C)CCCCC[C@H](C)O CNP0340083.3 [1,1,0,0,0,0|0,0,2]=4 266 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [1,1,0,0,0,0|0,0,0]=2 267 B11R0.111 COC(=O)CCCCCC(=O)O CNP0248235.0 [1,1,0,0,0,0|1,0,1]=4 268 B11R0.111 N[C@H](CO)CCCCNC(=O)O CNP0547068.1 [1,1,0,0,0,0|2,0,0]=4 269 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [1,1,0,0,0,0|1,0,0]=3 270 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [1,1,0,0,0,0|0,0,0]=2 271 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [1,1,0,0,0,0|0,0,1]=3 272 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [1,1,0,0,0,0|0,0,1]=3 273 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [1,1,0,0,0,0|0,0,1]=3 274 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [1,1,0,0,0,0|0,0,1]=3 275 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [1,1,0,0,0,0|0,0,1]=3 276 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [1,1,0,0,0,0|0,0,2]=4 277 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [1,1,0,0,0,0|0,0,1]=3 278 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [1,1,0,0,0,0|0,0,1]=3 279 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [1,1,0,0,0,0|0,0,1]=3 280 B11R0.148 CCCCC=CCCOC(=O)C CNP0536667.0 [1,1,0,0,0,0|0,0,2]=4 281 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [1,1,0,0,0,0|0,0,1]=3 282 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [1,1,0,0,0,0|0,0,1]=3 283 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [1,1,0,0,0,0|0,0,2]=4 284 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [1,1,0,0,0,0|0,0,1]=3 285 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [1,1,0,0,0,0|0,0,2]=4 286 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [1,1,0,0,0,0|0,0,1]=3 287 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [1,1,0,0,0,0|1,0,1]=4 288 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [1,1,0,0,0,0|0,0,1]=3 289 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [1,1,0,0,0,0|1,0,0]=3 290 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [1,1,0,0,0,0|0,0,0]=2 291 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [1,1,0,0,0,0|1,0,0]=3 292 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [1,1,0,0,0,0|1,0,0]=3 293 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [1,1,0,0,0,0|0,0,0]=2 294 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [1,1,0,0,0,0|0,1,0]=3 295 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [1,1,0,0,0,0|0,0,1]=3 296 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [1,1,0,0,0,0|0,0,1]=3 297 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [1,1,0,0,0,0|0,0,1]=3 298 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [1,1,0,0,0,0|0,0,1]=3 299 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [1,1,0,0,0,0|0,0,1]=3 300 B11R0.148 CCCCCCCCCC(C)C CNP0076440.0 [1,1,0,0,0,0|1,0,1]=4 301 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [1,1,0,0,0,0|0,0,2]=4 302 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [1,1,0,0,0,0|0,0,2]=4 303 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [1,1,0,0,0,0|0,0,0]=2 304 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [1,1,0,0,0,0|0,0,0]=2 305 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [1,1,0,0,0,0|0,0,0]=2 306 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [1,1,0,0,0,0|1,0,0]=3 307 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [1,1,0,0,0,0|0,0,0]=2 308 B11R0.148 CSCCCCCCNC(=O)N CNP0391801.0 [1,1,0,0,0,0|2,0,0]=4 309 B11R0.148 C[S+]([O-])CCCCCCCCN CNP0583267.0 [1,1,0,0,0,0|1,0,1]=4 310 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [1,1,0,0,0,0|0,0,0]=2 311 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [1,1,0,0,0,0|0,0,1]=3 312 B11R0.176 CCCC(O)CCC=CC(=O)O CNP0073639.0 [1,1,0,0,0,0|0,0,2]=4 313 B11R0.176 NC(=O)CCCC[C@@H](S)CCS CNP0083595.1 [1,1,0,0,0,0|2,0,0]=4 314 B11R0.176 O=C(O)CCCC[C@@H](S)CCS CNP0310006.1 [1,1,0,0,0,0|1,0,0]=3 315 B11R0.3 C#CC=CCCCCCCCC CNP0234185.0 [1,1,0,0,0,0|1,0,1]=4 316 B11R0.3 CC=CC=CCCCCCCC CNP0241958.0 [1,1,0,0,0,0|1,0,1]=4 317 B11R0.3 CC=CCCCCCCC=CC CNP0508194.0 [1,1,0,0,0,0|1,0,1]=4 318 B11R0.3 CC=CCCCCCCCC=O CNP0339577.0 [1,1,0,0,0,0|1,0,1]=4 319 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [1,1,0,0,0,0|1,0,0]=3 320 B11R0.3 CC=CCCCCCCCCO CNP0112250.0 [1,1,0,0,0,0|1,0,0]=3 321 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [1,1,0,0,0,0|1,0,0]=3 322 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [1,1,0,0,0,0|1,0,1]=4 323 B11R0.3 CCCCCCCCC=CCO CNP0086126.0 [1,1,0,0,0,0|1,0,0]=3 324 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [1,1,0,0,0,0|2,0,0]=4 325 B11R0.3 CCCCCCCCCCCC CNP0299960.0 [1,1,0,0,0,0|1,0,1]=4 326 B11R0.3 CCCCCCCCCCCO CNP0115710.0 [1,1,0,0,0,0|1,0,1]=4 327 B11R0.3 CCCCCCCCCCNC CNP0142745.0 [1,1,0,0,0,0|1,0,1]=4 328 B11R0.3 CCCCCCCCCCON CNP0565549.0 [1,1,0,0,0,0|1,0,1]=4 329 B11R0.3 CCCCCCCCOCCO CNP0598116.0 [1,1,0,0,0,0|2,0,0]=4 330 B11R0.3 CSCCCCCCCC=NO CNP0085413.0 [1,1,0,0,0,0|2,0,0]=4 331 B11R0.3 [CH2]CCCCCCCCCCC CNP0562200.0 [1,1,0,0,0,0|1,0,1]=4 332 B11R0.4 CC=CC(O)CCCCCCC CNP0485285.0 [1,1,0,0,0,0|1,0,0]=3 333 B11R0.4 CCCCCCCC(C)CCC CNP0333661.0 [1,1,0,0,0,0|1,0,1]=4 334 B11R0.4 CCCCCCC[C@@H](O)CCC CNP0081402.1 [1,1,0,0,0,0|1,0,1]=4 335 B11R0.81 CC=CCC(C)CCCCCC CNP0482426.0 [1,1,0,0,0,0|1,0,0]=3 336 B11R0.81 CCCCCCC(C)CCCC CNP0536101.0 [1,1,0,0,0,0|1,0,1]=4 337 B11R0.140 CCC=CCC(C)CCCCC CNP0529708.0 [1,1,0,0,0,0|1,0,1]=4 338 B11R0.140 CCCCCC(O)CCCCC CNP0194239.0 [1,1,0,0,0,0|1,0,1]=4 339 B11R0.70 CCCCC(=O)CCC(=O)OC CNP0612026.0 [1,1,0,0,0,0|0,0,1]=3 340 B11R0.70 CCCCC(C)CCC(=O)OC CNP0076241.0 [1,1,0,0,0,0|0,0,0]=2 341 B11R0.70 CCCCC(C)COC(=O)CC CNP0584407.0 [1,1,0,0,0,0|2,0,0]=4 342 B11R0.106 COC(=O)CCCCC(=O)OC CNP0317209.0 [1,1,0,0,0,0|1,0,1]=4 343 B11R0.124 CCCCCCCC(OC)OC CNP0398698.0 [1,1,0,0,0,0|0,0,2]=4 344 B11R0.142 CCCCCC[C@@H](O)C(=O)OC CNP0039109.2 [1,1,0,0,0,0|0,0,0]=2 345 B11R0.142 CCCCCC[C@H](O)C(=O)OC CNP0039109.1 [1,1,0,0,0,0|0,0,0]=2 346 B11R0.154 CCCCC[C@@H](O)CC(=O)OC CNP0364637.1 [1,1,0,0,0,0|0,0,0]=2 347 B11R0.154 CCCCC[C@H](O)CC(=O)OC CNP0364637.2 [1,1,0,0,0,0|0,0,0]=2 348 B13R0.2 C=CCCCCCCCC(=O)OCC CNP0561434.0 [0,2,0,0,0,0|0,0,1]=3 349 B13R0.2 C=COC(=O)CCCCCCCCC CNP0137792.0 [0,2,0,0,0,0|0,0,1]=3 350 B13R0.2 CCCCCC=CCCC(=O)OCC CNP0247879.0 [0,2,0,0,0,0|0,0,1]=3 351 B13R0.2 CCCCCCCC=CC(=O)OCC CNP0323878.0 [0,2,0,0,0,0|0,0,1]=3 352 B13R0.2 CCCCCCCCCC(=O)CC=O CNP0246850.0 [0,2,0,0,0,0|1,0,1]=4 353 B13R0.2 CCCCCCCCCC(=O)CCC CNP0343183.0 [0,2,0,0,0,0|1,0,0]=3 354 B13R0.2 CCCCCCCCCC(=O)OCC CNP0245893.0 [0,2,0,0,0,0|0,0,0]=2 355 B13R0.2 CCCCCCCCOC(=O)CCC CNP0140143.0 [0,2,0,0,0,0|1,0,0]=3 356 B13R0.2 CCOC(=O)CCCCCCCC=O CNP0276438.0 [0,2,0,0,0,0|0,0,1]=3 357 B13R0.2 CCOC(=O)CCCCCCCCO CNP0242583.0 [0,2,0,0,0,0|0,0,0]=2 358 B13R0.66 C=CCOC(=O)CCCCCCCC CNP0131773.0 [0,2,0,0,0,0|0,0,0]=2 359 B13R0.66 CCCCCCCOC(=O)CCCC CNP0231760.0 [0,2,0,0,0,0|2,0,0]=4 360 B13R0.88 CCCC(=O)CCCCCCC(C)C CNP0307359.0 [0,2,0,0,0,0|1,0,0]=3 361 B13R0.88 CCOC(=O)CCCCCC[C@@H](C)O CNP0112958.1 [0,2,0,0,0,0|0,0,0]=2 362 B13R0.193 CCCCCC(=O)CCC(=O)OCC CNP0017938.0 [0,2,0,0,0,0|0,0,1]=3 363 B13R0.330 CCCCCCC(=CC(=O)OCC)Br CNP0225649.0 [0,2,0,0,0,0|0,0,2]=4 364 B13R0.330 CCCCCC[C@H](O)CC(=O)OCC CNP0291447.1 [0,2,0,0,0,0|0,0,0]=2 365 B13R0.335 CC(=O)OC(=O)CCCCCCCO CNP0220022.0 [0,2,0,0,0,0|1,0,0]=3 366 B13R0.335 CCCCCCCCC(=O)OC(C)C CNP0003082.0 [0,2,0,0,0,0|0,0,0]=2 367 B13R0.335 CCCCCCCOC(=O)CC(C)C CNP0076121.0 [0,2,0,0,0,0|2,0,0]=4 368 B13R0.340 CCCCCCCC[C@@H](C)C(=O)OC CNP0315114.1 [0,2,0,0,0,0|0,0,0]=2 369 B13R0.340 CCCCCCCOC(=O)[C@H](C)CC CNP0135717.1 [0,2,0,0,0,0|2,0,0]=4 370 B13R0.367 CCOC(=O)CCCCC(=O)OCC CNP0031190.0 [0,2,0,0,0,0|1,0,1]=4 371 B13R0.250 COC(=O)CCCC[C@@H](N)C(=O)OC CNP0176274.1 [0,2,0,0,0,0|1,0,1]=4 372 B13R0.369 CCC[C@H](C)CCC[C@@H](C)C(=O)OC CNP0311129.1 [0,2,0,0,0,0|0,0,0]=2 373 B13R0.1293 CCCCC[C@H](C)C[C@@H](C)C(=O)OC CNP0332085.1 [0,2,0,0,0,0|0,0,0]=2 374 B13R0.1293 CCCCOC(=O)CC(O)C(=O)OC CNP0603073.0 [0,2,0,0,0,0|1,0,1]=4 375 B13R0.412 CCCCCCCCCC(OC)OC CNP0017635.0 [0,2,0,0,0,0|0,0,2]=4 376 B13R0.194 CCCCCC(=O)CCCC(=O)OC CNP0227503.0 [0,2,0,0,0,0|0,0,0]=2 377 B13R0.429 COC(=O)CCC[C@@H](C)CC(=O)OC CNP0190063.1 [0,2,0,0,0,0|1,0,1]=4 378 B13R0.151 CCCCOC(=O)C(O)CC(=O)OC CNP0584912.0 [0,2,0,0,0,0|1,0,1]=4 379 B13R0.274 CCCCCCC=C(C)CC(=O)OC CNP0372183.0 [0,2,0,0,0,0|0,0,1]=3 380 B13R0.274 CCCCCCC[C@@H](O)CC(=O)SC CNP0526799.1 [0,2,0,0,0,0|0,1,0]=3 381 B13R0.274 CCCCCCC[C@H](O)CC(=O)OC CNP0172127.1 [0,2,0,0,0,0|0,0,0]=2 382 B13R0.493 COC(=O)CC[C@H](C)CCCC(C)C CNP0249400.1 [0,2,0,0,0,0|0,0,0]=2 383 B13R0.201 COC(=O)CCCCCCC(=O)OC CNP0371182.0 [0,2,0,0,0,0|0,0,1]=3 384 B13R0.147 C#CCCCCCCCCC(=O)OC CNP0522205.0 [0,2,0,0,0,0|0,0,0]=2 385 B13R0.147 C=CCCCCCCCCC(=O)NO CNP0361306.0 [0,2,0,0,0,0|2,0,0]=4 386 B13R0.147 C=CCCCCCCCCC(=O)OC CNP0148219.0 [0,2,0,0,0,0|0,0,0]=2 387 B13R0.147 CC=CCCCCCCCC(=O)OC CNP0092960.0 [0,2,0,0,0,0|0,0,0]=2 388 B13R0.147 CCCCCCC=CC=CC(=O)OC CNP0612143.0 [0,2,0,0,0,0|0,0,2]=4 389 B13R0.147 CCCCCCC=CCOC(=O)CC CNP0256530.0 [0,2,0,0,0,0|1,0,1]=4 390 B13R0.147 CCCCCCCC=CCC(=O)CC CNP0527148.0 [0,2,0,0,0,0|1,0,0]=3 391 B13R0.147 CCCCCCCCC#CC(=O)OC CNP0140131.0 [0,2,0,0,0,0|0,0,0]=2 392 B13R0.147 CCCCCCCCC=CC(=O)OC CNP0122148.0 [0,2,0,0,0,0|0,0,0]=2 393 B13R0.147 CCCCCCCCCCC(=O)CC CNP0487301.0 [0,2,0,0,0,0|1,0,0]=3 394 B13R0.147 CCCCCCCCCCC(=O)OC CNP0117266.0 [0,2,0,0,0,0|0,0,0]=2 395 B13R0.147 CCCCCCCCCOC(=O)CC CNP0113142.0 [0,2,0,0,0,0|1,0,0]=3 396 B13R0.147 COC(=O)C=CCCCCCCCO CNP0218428.0 [0,2,0,0,0,0|0,0,1]=3 397 B13R0.147 COC(=O)CCCCCCC=CC=O CNP0574092.0 [0,2,0,0,0,0|0,0,2]=4 398 B13R0.147 COC(=O)CCCCCCC=CCO CNP0286839.0 [0,2,0,0,0,0|0,0,1]=3 399 B13R0.150 CCCCCCCCCC(=O)N(C)C CNP0080141.0 [0,2,0,0,0,0|1,0,0]=3 400 B13R0.150 CCCCCCCCOC(=O)C(C)C CNP0205183.0 [0,2,0,0,0,0|1,0,0]=3 401 B13R0.150 CSCCCCCCCC(=O)C(=O)O CNP0352754.0 [0,2,0,0,0,0|2,0,0]=4 402 B13R0.202 COC(=O)C=CCCCCCC(=O)C CNP0169349.0 [0,2,0,0,0,0|0,0,2]=4 403 B13R0.202 COC(=O)CCCCCCCC(=O)C CNP0550064.0 [0,2,0,0,0,0|0,0,0]=2 404 B13R0.202 COC(=O)CCCCCCCC(=O)O CNP0202412.0 [0,2,0,0,0,0|0,0,1]=3 405 B13R0.57 CCCCCCCOC(=O)C(C)(C)C CNP0523465.0 [0,2,0,0,0,0|2,0,0]=4 406 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [1,0,0,1,0,0|0,0,0]=2 407 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [1,0,0,1,0,0|1,0,0]=3 408 B11R1.27 CC/C=C\C[C@@H]1CCC(=O)O1 CNP0282378.1 [1,0,0,1,0,0|0,0,2]=4 409 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [1,0,0,1,0,0|0,0,2]=4 410 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [1,0,0,1,0,0|0,0,2]=4 411 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [1,0,0,1,0,0|0,0,0]=2 412 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [1,0,0,1,0,0|0,0,0]=2 413 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [1,0,0,1,0,0|0,0,2]=4 414 B11R1.46 CCCCCCCC1CC1C CNP0575710.0 [1,0,0,1,0,0|1,0,1]=4 415 B11R1.86 CC(=O)C[C@@H]1CCCCN1C CNP0400104.1 [1,0,0,1,0,0|1,0,0]=3 416 B11R1.86 CC(=O)C[C@H]1CCCCN1C CNP0400104.2 [1,0,0,1,0,0|1,0,0]=3 417 B11R1.86 CC(=O)O[C@@H]1CCCC[C@H]1O CNP0373304.1 [1,0,0,1,0,0|2,0,0]=4 418 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [1,0,0,1,0,0|0,0,2]=4 419 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [1,0,0,1,0,0|0,0,0]=2 420 B11R1.91 O=C(O)CC[C@@H]1COCCO1 CNP0317078.2 [1,0,0,1,0,0|2,0,0]=4 421 B11R1.91 O=C(O)CC[C@H]1COCCO1 CNP0317078.1 [1,0,0,1,0,0|2,0,0]=4 422 B11R1.99 CCCCCCCCC1CC1 CNP0611993.0 [1,0,0,1,0,0|1,0,1]=4 423 B11R1.101 CC1CCCCCCCCC1 CNP0242949.0 [1,0,0,1,0,0|1,0,1]=4 424 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [1,0,0,1,0,0|0,0,2]=4 425 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [1,0,0,1,0,0|0,0,2]=4 426 B11R1.191 CCC[C@@H]1CCCC[N+]1(C)C CNP0422167.1 [1,0,0,1,0,0|2,0,0]=4 427 B11R1.191 CCC[C@H]1CCCC[N+]1(C)C CNP0422167.2 [1,0,0,1,0,0|2,0,0]=4 428 B11R1.204 O=C(O)[C@@H]1CCN1CCCO CNP0196381.1 [1,0,0,1,0,0|2,0,0]=4 429 B11R1.706 O=C(O)[C@@H]1CC/C=C/CCC1 CNP0454234.1 [1,0,0,1,0,0|0,0,2]=4 430 B11R1.706 O=C(O)[C@H]1CC/C=C/CCC1 CNP0454234.2 [1,0,0,1,0,0|0,0,2]=4 431 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [1,0,0,1,0,0|0,0,0]=2 432 B11R1.4 CCCCCCC1CCCC1 CNP0324091.0 [1,0,0,1,0,0|1,0,1]=4 433 B11R1.18 CCCCC1CCCC1CC CNP0603151.0 [1,0,0,1,0,0|1,0,1]=4 434 B11R1.28 CCCCCC1CCCCC1 CNP0356632.0 [1,0,0,1,0,0|1,0,1]=4 435 B11R1.41 CCCC1CCCCC1CC CNP0083068.0 [1,0,0,1,0,0|1,0,1]=4 436 B11R1.92 C1=CCCCCNCCCC1 CNP0403056.0 [1,0,0,1,0,0|2,0,0]=4 437 B11R1.92 C1CCCCCCCCCC1 CNP0508104.0 [1,0,0,1,0,0|1,0,1]=4 438 B11R1.1 CCCCC1CCC(=O)CC1 CNP0076060.0 [1,0,0,1,0,0|1,0,0]=3 439 B11R1.1 CCCCC1COC(=O)CO1 CNP0527712.0 [1,0,0,1,0,0|1,0,0]=3 440 B11R1.40 CCC(=O)CC1CCCCN1 CNP0603150.0 [1,0,0,1,0,0|2,0,0]=4 441 B11R1.40 CCC(=O)OC1CCCCC1 CNP0394209.0 [1,0,0,1,0,0|2,0,0]=4 442 B11R1.40 COC(=O)CC1C=CCCC1 CNP0380005.0 [1,0,0,1,0,0|0,0,2]=4 443 B11R1.40 COC(=O)CN1CCNCC1 CNP0582393.0 [1,0,0,1,0,0|2,0,0]=4 444 B11R1.228 COC(=O)C[C@@H]1CCCN1C CNP0238623.1 [1,0,0,1,0,0|1,0,0]=3 445 B13R1.6 CCCCCCC1CCCC(=O)O1 CNP0280779.0 [0,1,0,1,0,0|2,0,0]=4 446 B13R1.6 CCCCCCC1COCC(=O)O1 CNP0002639.0 [0,1,0,1,0,0|1,0,0]=3 447 B13R1.42 CCOC(=O)CCC1CCCCC1 CNP0003502.0 [0,1,0,1,0,0|0,0,0]=2 448 B13R1.119 CCCCCCCCC1=CC=CO1 CNP0494414.0 [0,1,0,1,0,0|1,0,1]=4 449 B13R1.190 CCCCCCC1OC(=O)CC1C CNP0251689.0 [0,1,0,1,0,0|2,0,0]=4 450 B13R1.190 CCCCCC[C@@H]1CC(=O)CC1=O CNP0252659.1 [0,1,0,1,0,0|1,0,1]=4 451 B13R1.279 O=C1CCCCCCCCCCC1 CNP0294882.0 [0,1,0,1,0,0|1,0,0]=3 452 B13R1.279 O=C1CCCCCCCCCCO1 CNP0348572.0 [0,1,0,1,0,0|0,0,0]=2 453 B13R1.470 CCCC(=O)C[C@H]1CCCCN1C CNP0304537.1 [0,1,0,1,0,0|2,0,0]=4 454 B13R1.654 CCCCCCCC1CCCC1=O CNP0079998.0 [0,1,0,1,0,0|1,0,0]=3 455 B13R1.657 CCCCC[C@H]1CC[C@H](O1)OCC CNP0237360.1 [0,1,0,1,0,0|0,0,2]=4 456 B13R1.3821 CC1CCCCCCC(=O)OC1C CNP0207162.0 [0,1,0,1,0,0|0,0,0]=2 457 B13R1.135 COC(=O)[C@@H](N)CN1CCOCC1 CNP0560760.2 [0,1,0,1,0,0|2,0,0]=4 458 B13R1.135 COC(=O)[C@H](N)CN1CCOCC1 CNP0560760.1 [0,1,0,1,0,0|2,0,0]=4 459 B13R1.11 CCC(=O)NC(C)C1CCCCC1 CNP0085876.0 [0,1,0,1,0,0|2,0,0]=4 460 B13R1.3688 CCCCCCC1(CCC(=O)O1)C CNP0002940.0 [0,1,0,1,0,0|2,0,0]=4 461 B13R1.8394 CC1CCCCC(OC(=O)CC1)C CNP0123638.0 [0,1,0,1,0,0|2,0,0]=4 462 B13R1.23 CCCCC[C@@H](O)[C@@H]1CCC(=O)O1 CNP0381718.2 [0,1,0,1,0,0|2,0,0]=4 463 B13R1.23 CCCCC[C@@H](O)[C@H]1CCC(=O)O1 CNP0381718.3 [0,1,0,1,0,0|2,0,0]=4 464 B13R1.23 CCCCC[C@H](O)[C@@H]1CCC(=O)O1 CNP0381718.1 [0,1,0,1,0,0|2,0,0]=4 465 B13R1.23 CCCCC[C@H](O)[C@H]1CCC(=O)O1 CNP0381718.4 [0,1,0,1,0,0|2,0,0]=4 466 B13R1.128 CC(C)CCCCC1CCC(=O)O1 CNP0213089.0 [0,1,0,1,0,0|2,0,0]=4 467 B13R1.9 CCCCCCC1COC(=O)CO1 CNP0002636.0 [0,1,0,1,0,0|0,0,0]=2 468 B13R1.27 CCCCCCCC1C=CC(=O)O1 CNP0546311.0 [0,1,0,1,0,0|1,0,1]=4 469 B13R1.27 CCCCCCC[C@@H]1CCC(=O)O1 CNP0201617.2 [0,1,0,1,0,0|1,0,0]=3 470 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 CNP0201617.1 [0,1,0,1,0,0|1,0,0]=3 471 B13R2.162 CC1CCCC2C1OC(=O)CC2 CNP0582072.0 [0,0,0,2,0,0|0,0,0]=2 472 B13R2.4820 O=C1NCCN2[C@H]1CCCCC2 CNP0440709.1 [0,0,0,2,0,0|2,0,0]=4 473 B13R2.5180 C[C@@H]1C(=O)OC[C@H]2[C@@H]1CC[C@@H]2C CNP0105742.1 [0,0,0,2,0,0|2,0,0]=4 474 B13R2.5180 C[C@@H]1CC[C@@H]2[C@H]1COC(=O)[C@@H]2C CNP0105742.2 [0,0,0,2,0,0|2,0,0]=4 475 B13R2.5180 C[C@@H]1CC[C@@H]2[C@H]1COC(=O)[C@H]2C CNP0105742.3 [0,0,0,2,0,0|2,0,0]=4 476 B13R2.5180 C[C@H]1CC[C@H]2[C@@H]1COC(=O)[C@@H]2C CNP0105742.4 [0,0,0,2,0,0|2,0,0]=4 477 B13R2.5180 C[C@H]1CC[C@H]2[C@H]1COC(=O)[C@@H]2C CNP0105742.5 [0,0,0,2,0,0|2,0,0]=4 478 B13R2.1095 COC(=O)[C@@H]1CCN2[C@@H]1CCC2 CNP0285004.1 [0,0,0,2,0,0|1,0,0]=3 479 B13R2.1095 COC(=O)[C@H]1CC[C@@H]2N1CCC2 CNP0315859.1 [0,0,0,2,0,0|1,0,0]=3 480 B13R2.4825 C[C@H]1CNC[C@@H]2[C@H]1CC(=O)[C@@H]2C CNP0113730.1 [0,0,0,2,0,0|2,0,0]=4 481 B13R2.4825 C[C@H]1CNC[C@H]2[C@H]1CC(=O)[C@@H]2C CNP0113730.2 [0,0,0,2,0,0|2,0,0]=4