0 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [0,0,0,0,0,0|0,0,2]=2 1 B11R0.148 C#CCCCCCCC[C@H](C)O CNP0216303.1 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [0,0,0,0,0,0|1,0,2]=3 3 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [0,0,0,0,0,0|0,0,2]=2 4 B11R0.148 C=CCCCCCCC[C@H](C)O CNP0330711.1 [0,0,0,0,0,0|1,0,3]=4 5 B11R0.148 CC=CCCC=CCCC(=O)O CNP0199986.0 [0,0,0,0,0,0|0,0,4]=4 6 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [0,0,0,0,0,0|0,0,2]=2 7 B11R0.148 CCC=CC=CCCCC(=O)O CNP0544989.0 [0,0,0,0,0,0|0,0,4]=4 8 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,0,0,0,0,0|0,0,2]=2 9 B11R0.148 CCC=CCCCCOC(=O)C CNP0017686.0 [0,0,0,0,0,0|2,0,2]=4 10 B11R0.148 CCCC#CC#CCCC(=O)O CNP0313003.0 [0,0,0,0,0,0|0,0,4]=4 11 B11R0.148 CCCC/C=C\CCC[C@@H](C)O CNP0328991.1 [0,0,0,0,0,0|1,0,3]=4 12 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,0,0,0,0,0|1,0,2]=3 13 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,0,0,0,0,0|0,0,2]=2 14 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,0,0,0,0,0|0,0,2]=2 15 B11R0.148 CCCCC=CCCOC(=O)C CNP0536667.0 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.148 CCCCCC=CC=CC(=O)O CNP0190967.0 [0,0,0,0,0,0|0,0,4]=4 17 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [0,0,0,0,0,0|1,0,2]=3 18 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,0,0,0,0,0|0,0,2]=2 19 B11R0.148 CCCCCC=CCOC(=O)C CNP0255180.0 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,0,0,0,0,0|0,0,2]=2 21 B11R0.148 CCCCCCC=COC(=O)C CNP0097984.0 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,0,0,0,0,0|1,0,2]=3 23 B11R0.148 CCCCCCCC=CC(=O)N CNP0448361.0 [0,0,0,0,0,0|1,0,2]=3 24 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,0,0,0,0,0|0,0,2]=2 25 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [0,0,0,0,0,0|2,0,1]=3 26 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [0,0,0,0,0,0|1,0,0]=1 27 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [0,0,0,0,0,0|1,0,0]=1 28 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [0,0,0,0,0,0|1,0,0]=1 29 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,0,0,0,0,0|0,0,0]=0 30 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [0,0,0,0,0,0|0,1,0]=1 31 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [0,0,0,0,0,0|0,0,1]=1 32 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [0,0,0,0,0,0|0,0,1]=1 33 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [0,0,0,0,0,0|0,0,1]=1 34 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [0,0,0,0,0,0|0,0,1]=1 35 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [0,0,0,0,0,0|0,0,1]=1 36 B11R0.148 CCCCCCCCCC(C)C CNP0076440.0 [0,0,0,0,0,0|2,0,1]=3 37 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [0,0,0,0,0,0|1,0,1]=2 38 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [0,0,0,0,0,0|1,0,1]=2 39 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,0,0,0,0,0|2,0,0]=2 40 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,0,0,0,0,0|2,0,0]=2 41 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [0,0,0,0,0,0|2,0,0]=2 42 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [0,0,0,0,0,0|3,0,0]=3 43 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [0,0,0,0,0,0|1,0,0]=1 44 B11R0.148 CSCCCCCCNC(=N)S CNP0610239.0 [0,0,0,0,0,0|3,1,0]=4 45 B11R0.148 CSCCCCCCNC(=O)N CNP0391801.0 [0,0,0,0,0,0|3,0,0]=3 46 B11R0.148 CSCCCCCCNC(=S)N CNP0104929.0 [0,0,0,0,0,0|3,1,0]=4 47 B11R0.148 C[S+]([O-])CCCCCCCCN CNP0583267.0 [0,0,0,0,0,0|3,0,1]=4 48 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [0,0,0,0,0,0|1,0,0]=1 49 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [0,0,0,0,0,0|1,0,1]=2 50 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [1,0,0,0,0,0|0,0,2]=3 51 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [1,0,0,0,0,0|1,0,2]=4 52 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [1,0,0,0,0,0|0,0,2]=3 53 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [1,0,0,0,0,0|2,0,0]=3 54 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [1,0,0,0,0,0|1,0,2]=4 55 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [1,0,0,0,0,0|0,0,2]=3 56 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [1,0,0,0,0,0|1,0,2]=4 57 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [1,0,0,0,0,0|0,0,2]=3 58 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [1,0,0,0,0,0|1,0,2]=4 59 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [1,0,0,0,0,0|0,0,2]=3 60 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [1,0,0,0,0,0|1,0,2]=4 61 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [1,0,0,0,0,0|1,0,2]=4 62 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [1,0,0,0,0,0|1,0,2]=4 63 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [1,0,0,0,0,0|0,0,2]=3 64 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [1,0,0,0,0,0|1,0,0]=2 65 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [1,0,0,0,0,0|1,0,0]=2 66 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [1,0,0,0,0,0|1,0,0]=2 67 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [1,0,0,0,0,0|0,0,0]=1 68 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [1,0,0,0,0,0|2,0,1]=4 69 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [1,0,0,0,0,0|1,0,1]=3 70 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [1,0,0,0,0,0|1,0,1]=3 71 B10R0.4 CCCCCCCC[S@@+](C)[O-] CNP0591138.1 [1,0,0,0,0,0|2,0,1]=4 72 B10R0.4 CCCCCCCC[S@@H+](C)[O-] CNP0547164.1 [1,0,0,0,0,0|2,0,1]=4 73 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [1,0,0,0,0,0|2,0,0]=3 74 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [1,0,0,0,0,0|3,0,0]=4 75 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [1,0,0,0,0,0|1,0,0]=2 76 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [1,0,0,0,0,0|2,0,0]=3 77 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [1,0,0,0,0,0|2,0,0]=3 78 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [1,0,0,0,0,0|1,0,0]=2 79 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [1,0,0,0,0,0|1,0,0]=2 80 B10R0.71 C#CCCCCCCCCC CNP0601883.0 [1,0,0,0,0,0|1,0,1]=3 81 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [1,0,0,0,0,0|1,0,2]=4 82 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [1,0,0,0,0,0|1,0,2]=4 83 B10R0.71 C=CCCCCCCCC=C CNP0610531.0 [1,0,0,0,0,0|1,0,2]=4 84 B10R0.71 C=CCCCCCCCC=O CNP0003049.0 [1,0,0,0,0,0|0,0,2]=3 85 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [1,0,0,0,0,0|1,0,0]=2 86 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [1,0,0,0,0,0|2,0,0]=3 87 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [1,0,0,0,0,0|1,0,1]=3 88 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [1,0,0,0,0,0|0,0,3]=4 89 B10R0.71 CCCC=CCCCCC=O CNP0001519.0 [1,0,0,0,0,0|0,0,2]=3 90 B10R0.71 CCCCC=CCCCC=O CNP0003436.0 [1,0,0,0,0,0|0,0,2]=3 91 B10R0.71 CCCCC=CCCCCO CNP0201281.0 [1,0,0,0,0,0|0,0,3]=4 92 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [1,0,0,0,0,0|0,0,2]=3 93 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [1,0,0,0,0,0|0,0,3]=4 94 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [1,0,0,0,0,0|0,0,3]=4 95 B10R0.71 CCCCCCCC#CCO CNP0354632.0 [1,0,0,0,0,0|0,0,3]=4 96 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [1,0,0,0,0,0|0,0,2]=3 97 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [1,0,0,0,0,0|0,0,3]=4 98 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [1,0,0,0,0,0|1,0,1]=3 99 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [1,0,0,0,0,0|0,0,0]=1 100 B10R0.71 CCCCCCCCCCC CNP0270748.0 [1,0,0,0,0,0|1,0,1]=3 101 B10R0.71 CCCCCCCCCCI CNP0573243.0 [1,0,0,0,0,0|1,0,1]=3 102 B10R0.71 CCCCCCCCCCN CNP0456638.0 [1,0,0,0,0,0|1,0,1]=3 103 B10R0.71 CCCCCCCCCCO CNP0305576.0 [1,0,0,0,0,0|0,0,1]=2 104 B10R0.71 CCCCCCCCCCS CNP0541016.0 [1,0,0,0,0,0|0,1,1]=3 105 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [1,0,0,0,0,0|1,0,1]=3 106 B10R0.71 CCCCCCCCCOC CNP0246631.0 [1,0,0,0,0,0|2,0,0]=3 107 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [1,0,0,0,0,0|1,0,0]=2 108 B10R0.71 CCCCCCCCOCC CNP0319929.0 [1,0,0,0,0,0|2,0,1]=4 109 B10R0.71 CCCCCNCCCCC CNP0450899.0 [1,0,0,0,0,0|2,0,1]=4 110 B10R0.71 CCCCOCCOCCO CNP0079968.0 [1,0,0,0,0,0|2,0,1]=4 111 B10R0.71 CSCCCCCCC=NO CNP0274006.0 [1,0,0,0,0,0|2,0,1]=4 112 B10R0.71 CSCCCCCCCC#N CNP0327429.0 [1,0,0,0,0,0|2,0,1]=4 113 B10R0.71 CSCCCCCCCCN CNP0083876.0 [1,0,0,0,0,0|2,0,1]=4 114 B10R0.71 OCCCCCCCCCO CNP0496013.0 [1,0,0,0,0,0|1,0,1]=3 115 B10R0.71 SCCCCCCCCCS CNP0323084.0 [1,0,0,0,0,0|1,1,1]=4 116 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [1,0,0,0,0,0|1,0,1]=3 117 B12R0.4 CCCCC/C=C\[C@H](C)CC(=O)O CNP0187817.1 [0,1,0,0,0,0|0,0,2]=3 118 B12R0.4 CCCCCCC=C(C)CC(=O)O CNP0186143.0 [0,1,0,0,0,0|0,0,2]=3 119 B12R0.4 CCCCCCCC(=O)CC(=O)O CNP0066473.0 [0,1,0,0,0,0|0,0,1]=2 120 B12R0.4 CCCCCCCC(=O)OC(=O)C CNP0519254.0 [0,1,0,0,0,0|2,0,1]=4 121 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O CNP0310989.2 [0,1,0,0,0,0|0,0,0]=1 122 B12R0.4 CCCCCCC[C@H](C)CC(C)C CNP0113315.1 [0,1,0,0,0,0|2,0,1]=4 123 B12R0.4 CCCCCCC[C@H](C)OC(=O)C CNP0247723.1 [0,1,0,0,0,0|2,0,0]=3 124 B12R0.4 CCCCCCC[C@H](O)CC(=O)O CNP0310989.1 [0,1,0,0,0,0|0,0,0]=1 125 B12R0.95 CCCC[C@@H](O)C#CCCC(=O)O CNP0253343.2 [0,1,0,0,0,0|0,0,2]=3 126 B12R0.95 CCCC[C@H](O)C#CCCC(=O)O CNP0253343.1 [0,1,0,0,0,0|0,0,2]=3 127 B12R0.95 CCCC[C@H](O)CCCCC(=O)O CNP0272139.1 [0,1,0,0,0,0|0,0,0]=1 128 B12R0.119 CCCCCCCCNS(=O)(=O)O CNP0459977.0 [0,1,0,0,0,0|2,0,0]=3 129 B12R0.119 CCCCCCCCOP(=O)(O)O CNP0155776.0 [0,1,0,0,0,0|2,0,0]=3 130 B12R0.119 CCCCCCCCOS(=O)(=O)O CNP0146110.0 [0,1,0,0,0,0|2,0,0]=3 131 B12R0.184 C=CC(O)CCCCCCC(=O)O CNP0087002.0 [0,1,0,0,0,0|0,0,2]=3 132 B12R0.184 CCC(C)CCCCCCC(C)C CNP0128585.0 [0,1,0,0,0,0|2,0,1]=4 133 B12R0.184 CC[C@H](C)CCCCCCC(=O)O CNP0206079.1 [0,1,0,0,0,0|0,0,0]=1 134 B12R0.184 COC(=O)CCCCCCC(=O)O CNP0275563.0 [0,1,0,0,0,0|1,0,1]=3 135 B12R0.184 NCC(=O)CCCCCCC(=O)O CNP0327835.0 [0,1,0,0,0,0|1,0,1]=3 136 B12R0.233 C=C(CCCCC)CCCC(=O)O CNP0458205.0 [0,1,0,0,0,0|0,0,1]=2 137 B12R0.233 CCCCCC(=O)CCCC(=O)O CNP0370041.0 [0,1,0,0,0,0|0,0,1]=2 138 B12R0.233 CCCCCC(=O)CCC[C@H](C)O CNP0232035.1 [0,1,0,0,0,0|1,0,2]=4 139 B12R0.233 CCCCCC(C)CCCC(C)C CNP0542060.0 [0,1,0,0,0,0|2,0,1]=4 140 B12R0.233 CCCCC[C@H](O)CCCC(=O)O CNP0114225.1 [0,1,0,0,0,0|0,0,0]=1 141 B12R0.234 C#CCCCCCCCCC(=O)O CNP0190624.0 [0,1,0,0,0,0|0,0,1]=2 142 B12R0.234 C=CCCCCCCCCC(=O)O CNP0198208.0 [0,1,0,0,0,0|0,0,1]=2 143 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0516351.0 [0,1,0,0,0,0|0,0,2]=3 144 B12R0.234 C=CCCCCCCCCC(=O)[O-] CNP0599566.0 [0,1,0,0,0,0|0,0,2]=3 145 B12R0.234 C=CCCCCCCCOC(=O)C CNP0204354.0 [0,1,0,0,0,0|1,0,2]=4 146 B12R0.234 CC#CCCCCCCCC(=O)O CNP0171980.0 [0,1,0,0,0,0|0,0,1]=2 147 B12R0.234 CC(=O)NCCCCNCCCN CNP0348437.0 [0,1,0,0,0,0|3,0,0]=4 148 B12R0.234 CC(=O)NCCCNCCCCN CNP0155123.0 [0,1,0,0,0,0|3,0,0]=4 149 B12R0.234 CC=CC#CCCCCCC(=O)O CNP0331359.0 [0,1,0,0,0,0|0,0,3]=4 150 B12R0.234 CC=CCCCCC=CCC(=O)O CNP0101195.0 [0,1,0,0,0,0|0,0,3]=4 151 B12R0.234 CCC=CCCCCCOC(=O)C CNP0503657.0 [0,1,0,0,0,0|1,0,2]=4 152 B12R0.234 CCCCCCCC=CCC(=O)C CNP0496301.0 [0,1,0,0,0,0|1,0,1]=3 153 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [0,1,0,0,0,0|0,0,1]=2 154 B12R0.234 CCCCCCCCCCC(=O)C CNP0168691.0 [0,1,0,0,0,0|1,0,0]=2 155 B12R0.234 CCCCCCCCCCC(=O)O CNP0154912.0 [0,1,0,0,0,0|0,0,0]=1 156 B12R0.234 CCCCCCCCCCC(C)C CNP0258052.0 [0,1,0,0,0,0|2,0,1]=4 157 B12R0.234 CCCCCCCCCCC(O)O CNP0076204.0 [0,1,0,0,0,0|0,0,2]=3 158 B12R0.234 CCCCCCCCCC[C@H](C)O CNP0327823.1 [0,1,0,0,0,0|1,0,1]=3 159 B12R0.234 CCCCCCCCCOC(=O)C CNP0250890.0 [0,1,0,0,0,0|1,0,0]=2 160 B12R0.234 COSCCCCCCNC(=O)N CNP0309381.0 [0,1,0,0,0,0|3,0,0]=4 161 B12R0.234 O=C(O)C=CCCCCCCCO CNP0181289.0 [0,1,0,0,0,0|0,0,2]=3 162 B12R0.234 O=C(O)CCCCCCC=CCO CNP0316414.0 [0,1,0,0,0,0|0,0,2]=3 163 B12R0.234 O=C(O)CCCCCCCCCO CNP0294307.0 [0,1,0,0,0,0|0,0,0]=1 164 B12R0.234 O=CC=CCCCCCCC(=O)O CNP0212604.0 [0,1,0,0,0,0|0,0,3]=4 165 B12R0.248 C#CCCCCCCCC(=O)OC CNP0179424.0 [0,1,0,0,0,0|0,0,2]=3 166 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [0,1,0,0,0,0|1,0,0]=2 167 B12R0.248 C=CC(=O)OCCCCCCCC CNP0564168.0 [0,1,0,0,0,0|2,0,0]=3 168 B12R0.248 C=CCCCCCCCC(=O)C=C CNP0268545.0 [0,1,0,0,0,0|1,0,2]=4 169 B12R0.248 C=CCCCCCCCC(=O)OC CNP0363612.0 [0,1,0,0,0,0|0,0,2]=3 170 B12R0.248 CCCCCC=CCCC(=O)OC CNP0112743.0 [0,1,0,0,0,0|0,0,2]=3 171 B12R0.248 CCCCCCCC=CC(=O)OC CNP0075998.0 [0,1,0,0,0,0|0,0,2]=3 172 B12R0.248 CCCCCCCCCC(=NO)C CNP0318820.0 [0,1,0,0,0,0|1,0,0]=2 173 B12R0.248 CCCCCCCCCC(=O)CC CNP0517584.0 [0,1,0,0,0,0|1,0,0]=2 174 B12R0.248 CCCCCCCCCC(=O)OC CNP0223324.0 [0,1,0,0,0,0|0,0,0]=1 175 B12R0.248 CCCCCCCCCC(C)CC CNP0349662.0 [0,1,0,0,0,0|2,0,1]=4 176 B12R0.248 CCCCCCCCC[C@@H](C)C=O CNP0086491.2 [0,1,0,0,0,0|1,0,1]=3 177 B12R0.248 CCCCCCCCC[C@@H](C)CI CNP0083067.1 [0,1,0,0,0,0|2,0,1]=4 178 B12R0.248 CCCCCCCCC[C@H](C)C=O CNP0086491.1 [0,1,0,0,0,0|1,0,1]=3 179 B12R0.248 CCCCCCCCOC(=O)CC CNP0215951.0 [0,1,0,0,0,0|2,0,0]=3 180 B12R0.248 COC(=O)CCCCCCCC=O CNP0287915.0 [0,1,0,0,0,0|1,0,1]=3 181 B12R0.248 COC(=O)CCCCCCCCO CNP0294192.0 [0,1,0,0,0,0|1,0,0]=2 182 B12R0.251 CCCCCCCCC(=O)C(=O)C CNP0137948.0 [0,1,0,0,0,0|1,0,1]=3 183 B12R0.251 CCCCCCCCC(=O)C(=O)O CNP0332447.0 [0,1,0,0,0,0|0,0,1]=2 184 B12R0.251 CCCCCCCC[C@@H](C)C(=O)C CNP0076849.1 [0,1,0,0,0,0|1,0,0]=2 185 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O CNP0216159.2 [0,1,0,0,0,0|0,0,0]=1 186 B12R0.251 CCCCCCCC[C@@H](O)C(=O)O CNP0143340.1 [0,1,0,0,0,0|0,0,0]=1 187 B12R0.251 CCCCCCCC[C@H](C)C(=O)O CNP0216159.1 [0,1,0,0,0,0|0,0,0]=1 188 B12R0.251 CSCCCCCCC(=O)C(=O)O CNP0085458.0 [0,1,0,0,0,0|1,0,1]=3 189 B12R0.251 CSCCCCCC[C@@H](N)C(=O)O CNP0384442.1 [0,1,0,0,0,0|1,0,0]=2 190 B12R0.255 CCCCCCC(=O)CCC(=O)C CNP0196471.0 [0,1,0,0,0,0|1,0,1]=3 191 B12R0.255 CCCCCCC(=O)CCC(=O)O CNP0192324.0 [0,1,0,0,0,0|0,0,1]=2 192 B12R0.255 CCCCCCC(=O)NCC(=O)O CNP0038002.0 [0,1,0,0,0,0|1,0,1]=3 193 B12R0.255 CCCCCCC(C)CC=C(C)C CNP0591018.0 [0,1,0,0,0,0|2,0,1]=4 194 B12R0.255 CCCCCOC(=O)CCC(=O)C CNP0609109.0 [0,1,0,0,0,0|2,0,1]=4 195 B12R0.255 O=C(O)/C=C/[C@H](O)CCCCCO CNP0219480.1 [0,1,0,0,0,0|1,0,2]=4 196 B12R0.268 CC(=O)CCCCCC=CC(=O)O CNP0240565.0 [0,1,0,0,0,0|0,0,3]=4 197 B12R0.268 CC(=O)CCCCCCCC(C)C CNP0566315.0 [0,1,0,0,0,0|1,0,0]=2 198 B12R0.268 CC(C)CCCCCCCC(=O)O CNP0109886.0 [0,1,0,0,0,0|0,0,0]=1 199 B12R0.268 C[C@@H](O)CCCCCCCC(=O)O CNP0241170.1 [0,1,0,0,0,0|0,0,0]=1 200 B12R0.268 C[C@H](O)CCCCC/C=C/C(=O)O CNP0140668.1 [0,1,0,0,0,0|0,0,2]=3 201 B12R0.268 C[S+]([O-])CCCCCCNC(=O)N CNP0546672.0 [0,1,0,0,0,0|3,0,0]=4 202 B12R0.268 C[S@+]([O-])CCCCCCNC(=O)N CNP0546672.1 [0,1,0,0,0,0|3,0,0]=4 203 B12R0.268 O=C(O)CCCCCCC=C(Br)Br CNP0141349.0 [0,1,0,0,0,0|1,0,2]=4 204 B12R0.268 O=C(O)CCCCCCCC(=O)O CNP0225848.0 [0,1,0,0,0,0|1,0,1]=3 205 B12R0.268 O=C(O)CCCCCCON(O)O CNP0144881.0 [0,1,0,0,0,0|3,0,0]=4 206 B12R0.277 CCCC(Cl)CCCCOC(=O)C CNP0522583.0 [0,1,0,0,0,0|2,0,0]=3 207 B12R0.277 CCC[C@@H](C)CCCCCC(=O)O CNP0194627.1 [0,1,0,0,0,0|0,0,0]=1 208 B12R0.277 CCC[C@@H](N)CCCCCC(=O)O CNP0362333.2 [0,1,0,0,0,0|0,0,0]=1 209 B12R0.277 CCC[C@H](C)CCCCCC(=O)O CNP0194627.2 [0,1,0,0,0,0|0,0,0]=1 210 B12R0.277 CCC[C@H](N)CCCCCC(=O)O CNP0362333.1 [0,1,0,0,0,0|0,0,0]=1 211 B12R0.277 CCC[C@H](O)CCCCCC(=O)O CNP0317739.1 [0,1,0,0,0,0|0,0,0]=1 212 B12R1.7 CC/C=C\CC[C@@H]1CCC(=O)O1 CNP0155481.1 [0,0,0,1,0,0|0,0,2]=3 213 B12R1.7 CCCC#CC[C@@H]1CCC(=O)O1 CNP0502318.1 [0,0,0,1,0,0|0,0,2]=3 214 B12R1.7 CCCC#CC[C@H]1CCC(=O)O1 CNP0502318.2 [0,0,0,1,0,0|0,0,2]=3 215 B12R1.7 CCCC/C=C/[C@@H]1CCC(=O)O1 CNP0294623.2 [0,0,0,1,0,0|0,0,2]=3 216 B12R1.7 CCCC/C=C\[C@@H]1CCC(=O)O1 CNP0294623.1 [0,0,0,1,0,0|0,0,2]=3 217 B12R1.7 CCCCCCC1=CCC(=O)O1 CNP0519706.0 [0,0,0,1,0,0|0,0,2]=3 218 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 CNP0229807.1 [0,0,0,1,0,0|0,0,0]=1 219 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 CNP0229807.2 [0,0,0,1,0,0|0,0,0]=1 220 B12R1.28 CC/C=C/C[C@@H]1CCCC(=O)O1 CNP0270021.2 [0,0,0,1,0,0|0,0,2]=3 221 B12R1.28 CC/C=C\C[C@H]1CCCC(=O)O1 CNP0270021.1 [0,0,0,1,0,0|0,0,2]=3 222 B12R1.28 CCCCCC1COCC(=O)O1 CNP0572092.0 [0,0,0,1,0,0|1,0,0]=2 223 B12R1.28 CCCCC[C@@H]1CC=CC(=O)C1 CNP0390327.2 [0,0,0,1,0,0|1,0,2]=4 224 B12R1.28 CCCCC[C@@H]1CC=CC(=O)O1 CNP0231431.1 [0,0,0,1,0,0|0,0,2]=3 225 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [0,0,0,1,0,0|0,0,0]=1 226 B12R1.28 CCCCC[C@H]1CC=CC(=O)C1 CNP0390327.1 [0,0,0,1,0,0|1,0,2]=4 227 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [0,0,0,1,0,0|0,0,0]=1 228 B12R1.75 NC[C@@H]1CCCC[C@@H]1CC(=O)O CNP0052408.1 [0,0,0,1,0,0|1,0,0]=2 229 B12R1.75 NC[C@@H]1CCCC[C@H]1CC(=O)O CNP0052408.4 [0,0,0,1,0,0|1,0,0]=2 230 B12R1.75 NC[C@H]1CCCC[C@@H]1CC(=O)O CNP0052408.2 [0,0,0,1,0,0|1,0,0]=2 231 B12R1.75 NC[C@H]1CCCC[C@H]1CC(=O)O CNP0052408.3 [0,0,0,1,0,0|1,0,0]=2 232 B12R1.125 NC(=O)CC[C@@H]1CCCCC1=O CNP0046552.1 [0,0,0,1,0,0|2,0,1]=4 233 B12R1.125 NC(=O)CC[C@H]1CCCCC1=O CNP0046552.2 [0,0,0,1,0,0|2,0,1]=4 234 B12R1.125 O=C(O)CC[C@@H]1CCCCC1=O CNP0451054.1 [0,0,0,1,0,0|1,0,1]=3 235 B12R1.125 O=C(O)CC[C@H]1CCCCC1=O CNP0451054.2 [0,0,0,1,0,0|1,0,1]=3 236 B12R1.141 C[C@@H]1CCC/C=C\CCC(=O)O1 CNP0199494.1 [0,0,0,1,0,0|0,0,2]=3 237 B12R1.141 C[C@@H]1CCCCCCCC(=O)O1 CNP0363200.1 [0,0,0,1,0,0|0,0,0]=1 238 B12R1.141 C[C@H]1CCC/C=C\CCC(=O)O1 CNP0199494.2 [0,0,0,1,0,0|0,0,2]=3 239 B12R1.141 C[C@H]1CCCCCCCC(=O)O1 CNP0363200.2 [0,0,0,1,0,0|0,0,0]=1 240 B12R1.215 O=C1C=CCCCCCCCO1 CNP0588642.0 [0,0,0,1,0,0|0,0,2]=3 241 B12R1.252 CC(=O)OCCC1CCCCC1 CNP0194126.0 [0,0,0,1,0,0|2,0,0]=3 242 B12R1.252 CC(C)CCCC1CCCCC1 CNP0611552.0 [0,0,0,1,0,0|2,0,1]=4 243 B12R1.252 NC(=O)CCCC1CCCCC1 CNP0606256.0 [0,0,0,1,0,0|1,0,0]=2 244 B12R1.255 NC(=O)CCCC[C@@H]1CCSS1 CNP0415814.1 [0,0,0,1,0,0|3,0,0]=4 245 B12R1.255 NC(=O)CCCC[C@H]1CCSS1 CNP0415814.2 [0,0,0,1,0,0|3,0,0]=4 246 B12R1.255 O=C(O)CCCC[C@@H]1C=CCC1 CNP0267651.1 [0,0,0,1,0,0|0,0,2]=3 247 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 CNP0120491.1 [0,0,0,1,0,0|2,0,0]=3 248 B12R1.255 O=C(O)CCCC[C@H]1C=CCC1 CNP0267651.2 [0,0,0,1,0,0|0,0,2]=3 249 B12R1.255 O=C(O)CCCC[C@H]1CCSS1 CNP0120491.2 [0,0,0,1,0,0|2,0,0]=3 250 B12R1.321 CCCCC1CCCCC(=O)O1 CNP0167621.0 [0,0,0,1,0,0|0,0,0]=1 251 B12R1.375 CCCCCCCCCC1CC1 CNP0146839.0 [0,0,0,1,0,0|2,0,1]=4 252 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [2,0,0,0,0,0|2,0,0]=4 253 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [2,0,0,0,0,0|0,0,2]=4 254 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [2,0,0,0,0,0|0,0,2]=4 255 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [2,0,0,0,0,0|0,0,2]=4 256 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [2,0,0,0,0,0|0,0,2]=4 257 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [2,0,0,0,0,0|1,0,0]=3 258 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [2,0,0,0,0,0|1,0,0]=3 259 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [2,0,0,0,0,0|1,0,0]=3 260 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [2,0,0,0,0,0|0,0,0]=2 261 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [2,0,0,0,0,0|0,0,1]=3 262 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [2,0,0,0,0,0|0,0,1]=3 263 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [2,0,0,0,0,0|0,0,1]=3 264 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [2,0,0,0,0,0|0,0,1]=3 265 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [2,0,0,0,0,0|0,0,1]=3 266 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [2,0,0,0,0,0|0,0,1]=3 267 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [2,0,0,0,0,0|1,0,1]=4 268 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [2,0,0,0,0,0|1,0,1]=4 269 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [2,0,0,0,0,0|1,0,0]=3 270 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [2,0,0,0,0,0|1,0,1]=4 271 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [2,0,0,0,0,0|2,0,0]=4 272 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [2,0,0,0,0,0|1,0,0]=3 273 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [2,0,0,0,0,0|2,0,0]=4 274 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [2,0,0,0,0,0|1,0,0]=3 275 B9R0.45 C#CCCCCCCCC CNP0272182.0 [2,0,0,0,0,0|0,0,2]=4 276 B9R0.45 C=CCCCCCCCC CNP0330037.0 [2,0,0,0,0,0|0,0,1]=3 277 B9R0.45 C=CCCCCCCCO CNP0326407.0 [2,0,0,0,0,0|0,0,2]=4 278 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [2,0,0,0,0,0|0,0,2]=4 279 B9R0.45 CCC=CCCCCCO CNP0246173.0 [2,0,0,0,0,0|0,0,2]=4 280 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [2,0,0,0,0,0|0,0,2]=4 281 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [2,0,0,0,0,0|0,0,2]=4 282 B9R0.45 CCCCCC=CCCO CNP0111850.0 [2,0,0,0,0,0|0,0,2]=4 283 B9R0.45 CCCCCCC#CCO CNP0485953.0 [2,0,0,0,0,0|0,0,2]=4 284 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [2,0,0,0,0,0|0,0,2]=4 285 B9R0.45 CCCCCCC=CCO CNP0303395.0 [2,0,0,0,0,0|0,0,2]=4 286 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [2,0,0,0,0,0|0,0,2]=4 287 B9R0.45 CCCCCCCC=CO CNP0085832.0 [2,0,0,0,0,0|0,0,1]=3 288 B9R0.45 CCCCCCCC=NO CNP0247046.0 [2,0,0,0,0,0|1,0,1]=4 289 B9R0.45 CCCCCCCCC#N CNP0309769.0 [2,0,0,0,0,0|1,0,1]=4 290 B9R0.45 CCCCCCCCC=O CNP0328165.0 [2,0,0,0,0,0|0,0,0]=2 291 B9R0.45 CCCCCCCCCC CNP0279708.0 [2,0,0,0,0,0|0,0,1]=3 292 B9R0.45 CCCCCCCCCI CNP0565198.0 [2,0,0,0,0,0|1,0,0]=3 293 B9R0.45 CCCCCCCCCO CNP0307663.0 [2,0,0,0,0,0|0,0,0]=2 294 B9R0.45 CCCCCCCCOC CNP0305574.0 [2,0,0,0,0,0|1,0,1]=4 295 B9R0.45 CCCCCCCNC=O CNP0503918.0 [2,0,0,0,0,0|1,0,0]=3 296 B9R0.45 CCCCCCCOC=O CNP0272781.0 [2,0,0,0,0,0|1,0,0]=3 297 B9R0.45 CCCCCCCOCC CNP0144632.0 [2,0,0,0,0,0|1,0,1]=4 298 B9R0.45 CCCCCCOCCC CNP0488672.0 [2,0,0,0,0,0|1,0,1]=4 299 B9R0.45 CCCCCOCCCC CNP0134382.0 [2,0,0,0,0,0|1,0,1]=4 300 B9R0.45 CCCCOCCCCO CNP0571704.0 [2,0,0,0,0,0|1,0,0]=3 301 B9R0.45 NCCCCCCCCN CNP0462737.0 [2,0,0,0,0,0|2,0,0]=4 302 B9R0.45 NCCCNCCCC=O CNP0100864.0 [2,0,0,0,0,0|2,0,0]=4 303 B9R0.45 OCCCCCCCCO CNP0076363.0 [2,0,0,0,0,0|1,0,0]=3 304 B9R0.45 SCCCCCCCCS CNP0058300.0 [2,0,0,0,0,0|1,1,0]=4 305 B11R0.2 CCC/C=C\C[C@@H](N)CC(=O)O CNP0252157.2 [1,1,0,0,0,0|0,0,2]=4 306 B11R0.2 CCC/C=C\C[C@H](N)CC(=O)O CNP0252157.1 [1,1,0,0,0,0|0,0,2]=4 307 B11R0.2 CCCCCCC(=CC(=O)O)Br CNP0266520.0 [1,1,0,0,0,0|0,0,2]=4 308 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [1,1,0,0,0,0|0,0,0]=2 309 B11R0.2 CCCCCC[C@H](C)OC(=O)C CNP0190469.1 [1,1,0,0,0,0|2,0,0]=4 310 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [1,1,0,0,0,0|0,0,0]=2 311 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [1,1,0,0,0,0|1,0,0]=3 312 B11R0.30 CC(=O)NCCCCCC(=O)O CNP0491775.0 [1,1,0,0,0,0|1,0,1]=4 313 B11R0.30 CC(C)C=CCCCCC(=O)O CNP0063333.0 [1,1,0,0,0,0|0,0,2]=4 314 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [1,1,0,0,0,0|0,0,0]=2 315 B11R0.30 CC(C)CCCCCCC(=O)[O-] CNP0537394.0 [1,1,0,0,0,0|0,0,1]=3 316 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [1,1,0,0,0,0|0,0,0]=2 317 B11R0.30 NC(=O)CCCCCCC(=O)O CNP0235183.0 [1,1,0,0,0,0|1,0,1]=4 318 B11R0.30 O=C(O)CCCCCCC(=O)O CNP0210905.0 [1,1,0,0,0,0|1,0,1]=4 319 B11R0.30 O=[14C](O)CCCCCC[14C](=O)O CNP0533577.0 [1,1,0,0,0,0|1,0,1]=4 320 B11R0.40 C#CCCCCCCC(=O)OC CNP0316329.0 [1,1,0,0,0,0|0,0,2]=4 321 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [1,1,0,0,0,0|2,0,0]=4 322 B11R0.40 C=CC(=O)CCCCCCCC CNP0104265.0 [1,1,0,0,0,0|1,0,0]=3 323 B11R0.40 C=C[C@@H](O)CCCCCCCC CNP0175244.1 [1,1,0,0,0,0|1,0,1]=4 324 B11R0.40 CC=CCCCCCC(=O)OC CNP0525056.0 [1,1,0,0,0,0|0,0,2]=4 325 B11R0.40 CCC=CCCCCC(=O)OC CNP0111381.0 [1,1,0,0,0,0|0,0,2]=4 326 B11R0.40 CCCCC=CCCC(=O)OC CNP0611978.0 [1,1,0,0,0,0|0,0,2]=4 327 B11R0.40 CCCCCC=CCC(=O)OC CNP0154150.0 [1,1,0,0,0,0|0,0,2]=4 328 B11R0.40 CCCCCCC#CC(=O)OC CNP0282401.0 [1,1,0,0,0,0|0,0,2]=4 329 B11R0.40 CCCCCCC=CC(=O)OC CNP0002510.0 [1,1,0,0,0,0|0,0,2]=4 330 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [1,1,0,0,0,0|1,0,0]=3 331 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [1,1,0,0,0,0|0,0,0]=2 332 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [1,1,0,0,0,0|1,0,1]=4 333 B11R0.40 CCCCCCCCC(O)CO CNP0094301.0 [1,1,0,0,0,0|0,0,2]=4 334 B11R0.40 CCCCCCCOC(=O)CC CNP0602844.0 [1,1,0,0,0,0|2,0,0]=4 335 B11R0.40 COC(=O)CCCCCCCO CNP0247810.0 [1,1,0,0,0,0|1,0,0]=3 336 B11R0.42 CCC/C=C\CC[C@@H](N)C(=O)O CNP0251237.2 [1,1,0,0,0,0|0,0,2]=4 337 B11R0.42 CCC/C=C\CC[C@H](N)C(=O)O CNP0251237.1 [1,1,0,0,0,0|0,0,2]=4 338 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [1,1,0,0,0,0|1,0,0]=3 339 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [1,1,0,0,0,0|0,0,0]=2 340 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [1,1,0,0,0,0|0,0,0]=2 341 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [1,1,0,0,0,0|0,0,0]=2 342 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [1,1,0,0,0,0|0,0,0]=2 343 B11R0.42 CSCCCCCC(=O)C(=O)O CNP0161779.0 [1,1,0,0,0,0|1,0,1]=4 344 B11R0.42 CSCCCCCC(N)C(=O)O CNP0045927.0 [1,1,0,0,0,0|1,0,0]=3 345 B11R0.42 NCCCCCC[C@H](N)C(=O)O CNP0522116.1 [1,1,0,0,0,0|1,0,0]=3 346 B11R0.42 NCCCNCC[C@H](N)C(=O)O CNP0485831.1 [1,1,0,0,0,0|2,0,0]=4 347 B11R0.46 CCCCCC(=O)CCC(=O)C CNP0136880.0 [1,1,0,0,0,0|1,0,1]=4 348 B11R0.46 CCCCCC(=O)CCC(=O)O CNP0235547.0 [1,1,0,0,0,0|0,0,1]=3 349 B11R0.46 CCCCCC(=O)NCC(=O)O CNP0098252.0 [1,1,0,0,0,0|1,0,1]=4 350 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [1,1,0,0,0,0|0,0,0]=2 351 B11R0.46 CCCCC[C@@H](O)/C=C/C(=O)O CNP0337498.2 [1,1,0,0,0,0|0,0,2]=4 352 B11R0.46 CCCCC[C@@H](O)/C=C\C(=O)O CNP0337498.1 [1,1,0,0,0,0|0,0,2]=4 353 B11R0.46 CCCCC[C@@H](O)C=CC(=O)O CNP0337498.5 [1,1,0,0,0,0|0,0,2]=4 354 B11R0.46 CCCCC[C@H](O)/C=C/C(=O)O CNP0337498.3 [1,1,0,0,0,0|0,0,2]=4 355 B11R0.46 CCCCC[C@H](O)C=CC(=O)O CNP0337498.4 [1,1,0,0,0,0|0,0,2]=4 356 B11R0.46 CCCCOC(=O)CCC(=O)O CNP0348497.0 [1,1,0,0,0,0|1,0,1]=4 357 B11R0.111 CC[C@@H](C)CCCCC[C@@H](C)O CNP0340083.1 [1,1,0,0,0,0|1,0,1]=4 358 B11R0.111 CC[C@@H](C)CCCCC[C@H](C)O CNP0340083.2 [1,1,0,0,0,0|1,0,1]=4 359 B11R0.111 CC[C@H](C)CCCCC[C@H](C)O CNP0340083.3 [1,1,0,0,0,0|1,0,1]=4 360 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [1,1,0,0,0,0|0,0,0]=2 361 B11R0.111 COC(=O)CCCCCC(=O)O CNP0248235.0 [1,1,0,0,0,0|1,0,1]=4 362 B11R0.111 N[C@H](CO)CCCCNC(=O)O CNP0547068.1 [1,1,0,0,0,0|2,0,0]=4 363 B11R0.147 CCCCC(C)CCOC(=O)C CNP0479458.0 [1,1,0,0,0,0|2,0,0]=4 364 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [1,1,0,0,0,0|0,0,0]=2 365 B11R0.176 CCCC(O)CCC=CC(=O)O CNP0073639.0 [1,1,0,0,0,0|0,0,2]=4 366 B11R0.176 NC(=O)CCCC[C@@H](S)CCS CNP0083595.1 [1,1,0,0,0,0|2,0,0]=4 367 B11R0.176 O=C(O)CCCC[C@@H](S)CCS CNP0310006.1 [1,1,0,0,0,0|1,0,0]=3 368 B11R0.3 C#CC=CCCCCCCCC CNP0234185.0 [1,1,0,0,0,0|1,0,1]=4 369 B11R0.3 C#CCCCCCCCCCC CNP0087459.0 [1,1,0,0,0,0|1,0,1]=4 370 B11R0.3 C#CCCCCCCCCCO CNP0539400.0 [1,1,0,0,0,0|0,0,2]=4 371 B11R0.3 C=CC#CCCCCCCCC CNP0570139.0 [1,1,0,0,0,0|1,0,1]=4 372 B11R0.3 C=CCCCCCCCCC=C CNP0256056.0 [1,1,0,0,0,0|1,0,1]=4 373 B11R0.3 C=CCCCCCCCCC=O CNP0077289.0 [1,1,0,0,0,0|0,0,1]=3 374 B11R0.3 C=CCCCCCCCCCBr CNP0269281.0 [1,1,0,0,0,0|1,0,0]=3 375 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [1,1,0,0,0,0|1,0,0]=3 376 B11R0.3 C=CCCCCCCCCCO CNP0216447.0 [1,1,0,0,0,0|1,0,0]=3 377 B11R0.3 CC=CCCCCCCCC=O CNP0339577.0 [1,1,0,0,0,0|0,0,1]=3 378 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [1,1,0,0,0,0|1,0,0]=3 379 B11R0.3 CC=CCCCCCCCCO CNP0112250.0 [1,1,0,0,0,0|0,0,2]=4 380 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [1,1,0,0,0,0|1,0,1]=4 381 B11R0.3 CCCC=CCCCCCCO CNP0282171.0 [1,1,0,0,0,0|0,0,2]=4 382 B11R0.3 CCCCCCC=CCCC=O CNP0198080.0 [1,1,0,0,0,0|0,0,1]=3 383 B11R0.3 CCCCCCCCC=CC=O CNP0117259.0 [1,1,0,0,0,0|0,0,1]=3 384 B11R0.3 CCCCCCCCC=CCO CNP0086126.0 [1,1,0,0,0,0|0,0,1]=3 385 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [1,1,0,0,0,0|1,0,0]=3 386 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [1,1,0,0,0,0|0,0,0]=2 387 B11R0.3 CCCCCCCCCCCC CNP0299960.0 [1,1,0,0,0,0|1,0,1]=4 388 B11R0.3 CCCCCCCCCCCO CNP0115710.0 [1,1,0,0,0,0|0,0,1]=3 389 B11R0.3 CCCCCCCCCCNC CNP0142745.0 [1,1,0,0,0,0|1,0,1]=4 390 B11R0.3 CCCCCCCCCCON CNP0565549.0 [1,1,0,0,0,0|0,0,1]=3 391 B11R0.3 CCCCCCCCOCCO CNP0598116.0 [1,1,0,0,0,0|0,0,1]=3 392 B11R0.3 CSCCCCCCCC=NO CNP0085413.0 [1,1,0,0,0,0|1,0,0]=3 393 B11R0.3 CSCCCCCCCCC#N CNP0286392.0 [1,1,0,0,0,0|1,0,1]=4 394 B11R0.3 O=CCCCCCCCCC=O CNP0375869.0 [1,1,0,0,0,0|0,0,1]=3 395 B11R0.3 OCCCCCCCCCCO CNP0483673.0 [1,1,0,0,0,0|0,0,1]=3 396 B11R0.3 OCCCCCCCCNCO CNP0481493.0 [1,1,0,0,0,0|1,0,1]=4 397 B11R0.3 [CH2]CCCCCCCCCCC CNP0562200.0 [1,1,0,0,0,0|1,0,1]=4 398 B11R0.4 C=CCCCCCC(C)CCC CNP0085749.0 [1,1,0,0,0,0|1,0,0]=3 399 B11R0.4 CC=CC(O)CCCCCCC CNP0485285.0 [1,1,0,0,0,0|1,0,1]=4 400 B11R0.4 CCCCCCCC(C)CCC CNP0333661.0 [1,1,0,0,0,0|1,0,1]=4 401 B11R0.4 CCCCCCC[C@@H](O)CCC CNP0081402.1 [1,1,0,0,0,0|1,0,1]=4 402 B11R0.81 C=CCCCCC(C)CCCC CNP0518967.0 [1,1,0,0,0,0|1,0,0]=3 403 B11R0.81 CC=CCC(C)CCCCCC CNP0482426.0 [1,1,0,0,0,0|1,0,1]=4 404 B11R0.81 CCCCCCC(=O)CCC=O CNP0001517.0 [1,1,0,0,0,0|0,0,1]=3 405 B11R0.81 CCCCCCC(C)CCCC CNP0536101.0 [1,1,0,0,0,0|1,0,1]=4 406 B11R0.140 CCCCCC(O)CCCCC CNP0194239.0 [1,1,0,0,0,0|1,0,1]=4 407 B13R0.178 C[C@@H](O)C[C@@H](O)C/C=C/CCC(=O)O CNP0558104.1 [0,2,0,0,0,0|0,0,2]=4 408 B13R0.178 C[C@H](CCCCCC(=O)O)CC(=O)O CNP0139369.1 [0,2,0,0,0,0|1,0,1]=4 409 B13R0.274 CCCCCCC=C(C)CC(=O)OC CNP0372183.0 [0,2,0,0,0,0|0,0,2]=4 410 B13R0.274 CCCCCCC[C@@H](O)CC(=O)SC CNP0526799.1 [0,2,0,0,0,0|0,1,0]=3 411 B13R0.274 CCCCCCC[C@H](O)CC(=O)OC CNP0172127.1 [0,2,0,0,0,0|0,0,0]=2 412 B13R0.333 CCCCC[C@@H](O)C[C@@H](O)CC(=O)O CNP0387353.1 [0,2,0,0,0,0|0,0,0]=2 413 B13R0.333 CCCCC[C@@H](O)C[C@H](O)CC(=O)O CNP0387353.3 [0,2,0,0,0,0|0,0,0]=2 414 B13R0.333 CCCCC[C@H](O)C[C@@H](O)CC(=O)O CNP0387353.2 [0,2,0,0,0,0|0,0,0]=2 415 B13R0.333 CCCCC[C@H](O)C[C@H](O)CC(=O)O CNP0387353.4 [0,2,0,0,0,0|0,0,0]=2 416 B13R0.335 CCCCCCCC[C@H](O)CC(=O)O CNP0274681.1 [0,2,0,0,0,0|0,0,0]=2 417 B13R0.335 O=C(O)C[C@@H](O)CCCCCCCO CNP0393547.2 [0,2,0,0,0,0|0,0,0]=2 418 B13R0.335 O=C(O)C[C@H](O)CCCCCCCO CNP0393547.1 [0,2,0,0,0,0|0,0,0]=2 419 B13R0.337 CCCCCC#C[C@@H](O)[C@@H](O)C(=O)O CNP0281467.1 [0,2,0,0,0,0|0,0,2]=4 420 B13R0.337 CCCCCC#C[C@H](O)[C@@H](O)C(=O)O CNP0281467.2 [0,2,0,0,0,0|0,0,2]=4 421 B13R0.337 CCCCCC#C[C@H](O)[C@H](O)C(=O)O CNP0281467.3 [0,2,0,0,0,0|0,0,2]=4 422 B13R0.438 CCCCCCC(=O)[C@@H](O)CC(=O)O CNP0458235.1 [0,2,0,0,0,0|0,0,1]=3 423 B13R0.438 CCCCCCC(=O)[C@H](O)CC(=O)O CNP0458235.2 [0,2,0,0,0,0|0,0,1]=3 424 B13R0.117 CCCC[C@H](C)CCC[C@@H](C)C(=O)O CNP0329412.1 [0,2,0,0,0,0|0,0,0]=2 425 B13R0.182 CC(C)CCCC[C@H](C)CCC(=O)O CNP0425887.1 [0,2,0,0,0,0|0,0,0]=2 426 B13R0.182 CC(C)COC(=O)CCCCC(=O)O CNP0514142.0 [0,2,0,0,0,0|1,0,1]=4 427 B13R0.182 C[C@@H](O)CC[C@@H](O)/C=C/CCC(=O)O CNP0071825.1 [0,2,0,0,0,0|0,0,2]=4 428 B13R0.188 CCCCCC(=O)CCCCC(=O)O CNP0330201.0 [0,2,0,0,0,0|0,0,0]=2 429 B13R0.188 NCSCCC(S)CCCCC(=O)N CNP0273593.0 [0,2,0,0,0,0|2,0,0]=4 430 B13R0.188 NCSCCC(S)CCCCC(=O)O CNP0046006.0 [0,2,0,0,0,0|1,0,0]=3 431 B13R0.280 CCCCCCCCCCP(=O)(C)C CNP0504286.0 [0,2,0,0,0,0|2,0,0]=4 432 B13R0.280 CCCCCCCCCCS(=O)(=O)O CNP0529919.0 [0,2,0,0,0,0|1,0,0]=3 433 B13R0.280 CCCCCCCCCNS(=O)(=O)O CNP0476345.0 [0,2,0,0,0,0|1,0,0]=3 434 B13R0.280 CCCCCCCCCOS(=O)(=O)O CNP0359482.0 [0,2,0,0,0,0|1,0,0]=3 435 B13R0.280 CS(=O)(=O)CCCCCCCCCN CNP0257637.0 [0,2,0,0,0,0|1,0,1]=4 436 B13R0.431 CC[C@H](C)CCCCCOS(=O)(=O)O CNP0445700.1 [0,2,0,0,0,0|2,0,0]=4 437 B13R0.442 CC(C)CCCCCCNS(=O)(=O)O CNP0473116.0 [0,2,0,0,0,0|2,0,0]=4 438 B13R0.442 CC(C)CCCCCCOS(=O)(=O)O CNP0438043.0 [0,2,0,0,0,0|2,0,0]=4 439 B13R0.1215 C#CC(C)(O)CCCCCCCCC CNP0600953.0 [0,2,0,0,0,0|1,0,1]=4 440 B13R0.1215 CCCCCCCCCC(C)(C)CO CNP0350488.0 [0,2,0,0,0,0|1,0,1]=4 441 B13R0.180 CC(=O)NCCCCC[C@H](C)[C@H](C)O CNP0436552.1 [0,2,0,0,0,0|2,0,0]=4 442 B13R0.201 COC(=O)CCCCCCC(=O)OC CNP0371182.0 [0,2,0,0,0,0|1,0,1]=4 443 B13R0.204 CC[C@H](C)CCCCC[C@@H](C)C(=O)O CNP0108831.1 [0,2,0,0,0,0|0,0,0]=2 444 B13R0.208 CCC(C)CCCC(C)CCC(=O)O CNP0018012.0 [0,2,0,0,0,0|0,0,0]=2 445 B13R0.1 CCCCCCC(=O)CCOC(=O)C CNP0381417.0 [0,2,0,0,0,0|1,0,1]=4 446 B13R0.1 CCCCCCC(O)CCOC(=O)C CNP0003220.0 [0,2,0,0,0,0|1,0,0]=3 447 B13R0.1 CCCCCC[C@@H](O)C/C=C/C(=O)O CNP0159289.2 [0,2,0,0,0,0|0,0,1]=3 448 B13R0.1 CCCCCC[C@H](O)C/C=C/C(=O)O CNP0159289.1 [0,2,0,0,0,0|0,0,1]=3 449 B13R0.1 CCCCCC[C@H](O)CCCC(=O)O CNP0412858.1 [0,2,0,0,0,0|0,0,0]=2 450 B13R0.139 CCCCOC(=O)[C@H](O)CCC(=O)O CNP0251547.1 [0,2,0,0,0,0|1,0,1]=4 451 B13R0.194 CCCCCC(=O)CCCC(=O)OC CNP0227503.0 [0,2,0,0,0,0|0,0,1]=3 452 B13R0.1398 CC(=CCCC(C)CCCC(=O)O)C CNP0536242.0 [0,2,0,0,0,0|0,0,2]=4 453 B13R0.1398 CC(=O)CCC[C@@H](C)CCCC(C)C CNP0341880.2 [0,2,0,0,0,0|1,0,0]=3 454 B13R0.1398 CC(=O)CCC[C@H](C)CCCC(C)C CNP0341880.1 [0,2,0,0,0,0|1,0,0]=3 455 B13R0.1398 CC(=O)OCC[C@@H](C)CCCC(C)C CNP0292341.1 [0,2,0,0,0,0|2,0,0]=4 456 B13R0.1398 CC(=O)OCC[C@H](C)CCCC(C)C CNP0292341.2 [0,2,0,0,0,0|2,0,0]=4 457 B13R0.1398 CC(C)CCCC(C)CCCC(C)O CNP0612221.0 [0,2,0,0,0,0|1,0,1]=4 458 B13R0.54 C=C(C)CCCCCCCCCCC CNP0076867.0 [0,2,0,0,0,0|2,0,0]=4 459 B13R0.54 C=CCCCCCCCCCC(=O)C CNP0306240.0 [0,2,0,0,0,0|1,0,0]=3 460 B13R0.54 C=CCCCCCCCCCC(=O)O CNP0172494.0 [0,2,0,0,0,0|0,0,0]=2 461 B13R0.54 C=CCCCCCCCCC[N+](=O)[O-] CNP0523430.0 [0,2,0,0,0,0|1,0,1]=4 462 B13R0.54 C=CCCCCCCCCOC(=O)C CNP0555861.0 [0,2,0,0,0,0|1,0,1]=4 463 B13R0.54 CC(=O)OCCCCCCCCC=O CNP0547492.0 [0,2,0,0,0,0|1,0,1]=4 464 B13R0.54 CC/C=C/CCCCCCC[C@H](C)O CNP0191015.1 [0,2,0,0,0,0|1,0,1]=4 465 B13R0.54 CCC=CCCCCCCCC(=O)O CNP0316183.0 [0,2,0,0,0,0|0,0,0]=2 466 B13R0.54 CCCC=CCCCCCCC(=O)O CNP0213131.0 [0,2,0,0,0,0|0,0,0]=2 467 B13R0.54 CCCCC=CCCCCCC(=O)O CNP0155826.0 [0,2,0,0,0,0|0,0,0]=2 468 B13R0.54 CCCCC=CCCCCOC(=O)C CNP0154646.0 [0,2,0,0,0,0|1,0,1]=4 469 B13R0.54 CCCCCC=CCCC=CC(=O)O CNP0290016.0 [0,2,0,0,0,0|0,0,2]=4 470 B13R0.54 CCCCCC=CCCCCC(=O)C CNP0213133.0 [0,2,0,0,0,0|1,0,0]=3 471 B13R0.54 CCCCCC=CCCCCC(=O)O CNP0611346.0 [0,2,0,0,0,0|0,0,0]=2 472 B13R0.54 CCCCCC=CCCCOC(=O)C CNP0003295.0 [0,2,0,0,0,0|1,0,1]=4 473 B13R0.54 CCCCCCC=CCCCC(=O)O CNP0163257.0 [0,2,0,0,0,0|0,0,0]=2 474 B13R0.54 CCCCCCCC=CC=CC(=O)O CNP0115107.0 [0,2,0,0,0,0|0,0,2]=4 475 B13R0.54 CCCCCCCC=CCCC(=O)O CNP0181626.0 [0,2,0,0,0,0|0,0,0]=2 476 B13R0.54 CCCCCCCC=CCOC(=O)C CNP0123694.0 [0,2,0,0,0,0|1,0,1]=4 477 B13R0.54 CCCCCCCCC=CCC(=O)O CNP0579851.0 [0,2,0,0,0,0|0,0,0]=2 478 B13R0.54 CCCCCCCCC=COC(=O)C CNP0501330.0 [0,2,0,0,0,0|1,0,1]=4 479 B13R0.54 CCCCCCCCC=NNC(=O)N CNP0224908.0 [0,2,0,0,0,0|1,0,1]=4 480 B13R0.54 CCCCCCCCCC=CC(=O)C CNP0265083.0 [0,2,0,0,0,0|1,0,0]=3 481 B13R0.54 CCCCCCCCCC=CC(=O)O CNP0126369.0 [0,2,0,0,0,0|0,0,0]=2 482 B13R0.54 CCCCCCCCCCCC(=O)C CNP0221288.0 [0,2,0,0,0,0|1,0,0]=3 483 B13R0.54 CCCCCCCCCCCC(=O)N CNP0127821.0 [0,2,0,0,0,0|1,0,0]=3 484 B13R0.54 CCCCCCCCCCCC(=O)O CNP0303017.0 [0,2,0,0,0,0|0,0,0]=2 485 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0514502.0 [0,2,0,0,0,0|0,0,1]=3 486 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526629.0 [0,2,0,0,0,0|0,0,1]=3 487 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0526943.0 [0,2,0,0,0,0|0,0,1]=3 488 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0575486.0 [0,2,0,0,0,0|0,0,1]=3 489 B13R0.54 CCCCCCCCCCCC(=O)[O-] CNP0604542.0 [0,2,0,0,0,0|0,0,1]=3 490 B13R0.54 CCCCCCCCCCC[C@@H](C)O CNP0149423.2 [0,2,0,0,0,0|1,0,1]=4 491 B13R0.54 CCCCCCCCCCC[C@H](C)O CNP0149423.1 [0,2,0,0,0,0|1,0,1]=4 492 B13R0.54 CCCCCCCCCCOC(=O)C CNP0190607.0 [0,2,0,0,0,0|1,0,0]=3 493 B13R0.54 CCCCCCCCCCOC(=O)S CNP0481026.0 [0,2,0,0,0,0|0,1,0]=3 494 B13R0.54 CCCCCCCCSCCC(=O)O CNP0574442.0 [0,2,0,0,0,0|0,0,0]=2 495 B13R0.54 CCCCOCCOCCOC(=O)C CNP0603936.0 [0,2,0,0,0,0|2,0,0]=4 496 B13R0.54 O=C(O)CCCCCCCC=CCO CNP0273167.0 [0,2,0,0,0,0|0,0,1]=3 497 B13R0.54 O=C(O)CCCCCCCCCCBr CNP0033746.0 [0,2,0,0,0,0|0,0,0]=2 498 B13R0.54 O=C(O)CCCCCCCCCCS CNP0586086.0 [0,2,0,0,0,0|0,0,0]=2 499 B13R0.54 O=CCCCCCCCCCC(=O)O CNP0102682.0 [0,2,0,0,0,0|0,0,0]=2 500 B13R0.54 [2H]C(=C)CCCCCCCCCCC CNP0557104.0 [0,2,0,0,0,0|2,0,0]=4 501 B13R0.147 C#CCCCCCCCCC(=O)OC CNP0522205.0 [0,2,0,0,0,0|0,0,1]=3 502 B13R0.147 C=CCCCCCCCCC(=O)NO CNP0361306.0 [0,2,0,0,0,0|0,0,1]=3 503 B13R0.147 C=CCCCCCCCCC(=O)OC CNP0148219.0 [0,2,0,0,0,0|0,0,1]=3 504 B13R0.147 CC=CCCCCCCCC(=O)OC CNP0092960.0 [0,2,0,0,0,0|0,0,1]=3 505 B13R0.147 CCCCCCCC=CCC(=O)CC CNP0527148.0 [0,2,0,0,0,0|1,0,1]=4 506 B13R0.147 CCCCCCCCC#CC(=O)OC CNP0140131.0 [0,2,0,0,0,0|0,0,1]=3 507 B13R0.147 CCCCCCCCC=CC(=O)OC CNP0122148.0 [0,2,0,0,0,0|0,0,1]=3 508 B13R0.147 CCCCCCCCCC=C(C)C=O CNP0146034.0 [0,2,0,0,0,0|1,0,0]=3 509 B13R0.147 CCCCCCCCCC=C(Cl)CO CNP0255372.0 [0,2,0,0,0,0|1,0,0]=3 510 B13R0.147 CCCCCCCCCCC(=O)CC CNP0487301.0 [0,2,0,0,0,0|1,0,0]=3 511 B13R0.147 CCCCCCCCCCC(=O)OC CNP0117266.0 [0,2,0,0,0,0|0,0,0]=2 512 B13R0.147 CCCCCCCCCOC(=O)CC CNP0113142.0 [0,2,0,0,0,0|1,0,0]=3 513 B13R0.147 COC(=O)C=CCCCCCCCO CNP0218428.0 [0,2,0,0,0,0|0,0,2]=4 514 B13R0.147 COC(=O)CCCCCCC=CCO CNP0286839.0 [0,2,0,0,0,0|0,0,2]=4 515 B13R0.147 CSCCCCCCCCC(=NO)S CNP0083848.0 [0,2,0,0,0,0|0,1,0]=3 516 B13R0.147 CSCCCCCCCCC(=S)NO CNP0512497.0 [0,2,0,0,0,0|0,1,0]=3 517 B13R0.150 CCCCCCCCCC(=O)N(C)C CNP0080141.0 [0,2,0,0,0,0|1,0,0]=3 518 B13R0.150 CCCCCCCCCC(C)C(=O)C CNP0524122.0 [0,2,0,0,0,0|1,0,0]=3 519 B13R0.150 CCCCCCCCCC(C)C(=O)O CNP0555166.0 [0,2,0,0,0,0|0,0,0]=2 520 B13R0.150 CCCCCCCCC[C@@H](O)C(=O)O CNP0290300.1 [0,2,0,0,0,0|0,0,0]=2 521 B13R0.150 CCCCCCCCC[C@@H](O)[C@H](C)N CNP0142474.1 [0,2,0,0,0,0|1,0,1]=4 522 B13R0.150 CCCCCCCCC[C@H](O)[C@@H](C)N CNP0142474.2 [0,2,0,0,0,0|1,0,1]=4 523 B13R0.150 CCCCCCCCOC(=O)C(C)C CNP0205183.0 [0,2,0,0,0,0|2,0,0]=4 524 B13R0.150 CSCCCCCCCC(=O)C(=O)O CNP0352754.0 [0,2,0,0,0,0|0,0,1]=3 525 B13R0.150 CSCCCCCCC[C@@H](N)C(=O)O CNP0214447.1 [0,2,0,0,0,0|0,0,0]=2 526 B13R0.154 CCCCCCCC(=O)CCC(=O)O CNP0244204.0 [0,2,0,0,0,0|0,0,0]=2 527 B13R0.154 CCCCCCCC(=O)NCC(=O)O CNP0052738.0 [0,2,0,0,0,0|0,0,1]=3 528 B13R0.154 O=C(O)/C=C/[C@H](O)CCCCCCO CNP0251669.1 [0,2,0,0,0,0|0,0,2]=4 529 B13R0.154 O=C(O)C=C[C@H](O)CCCCCCO CNP0251669.2 [0,2,0,0,0,0|0,0,2]=4 530 B13R0.179 CC(=O)CC/C=C/CCCC[C@H](C)O CNP0229571.1 [0,2,0,0,0,0|1,0,1]=4 531 B13R0.179 CC(=O)CCCCCCCCC(C)C CNP0219481.0 [0,2,0,0,0,0|1,0,0]=3 532 B13R0.179 CC(C)CCCCCCCCC(=O)O CNP0279215.0 [0,2,0,0,0,0|0,0,0]=2 533 B13R0.179 C[C@@H](N)CCCCCCCCC(=O)O CNP0158471.1 [0,2,0,0,0,0|0,0,0]=2 534 B13R0.179 C[C@H](N)CCCCCCCCC(=O)O CNP0158471.2 [0,2,0,0,0,0|0,0,0]=2 535 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)N CNP0508234.0 [0,2,0,0,0,0|1,0,0]=3 536 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)O CNP0485117.0 [0,2,0,0,0,0|0,0,0]=2 537 B13R0.179 O=C(O)CCCCCCCCC(=O)O CNP0311812.0 [0,2,0,0,0,0|0,0,1]=3 538 B13R0.202 C=C[C@@H](O)CCCCCCCC(=O)O CNP0388665.1 [0,2,0,0,0,0|0,0,1]=3 539 B13R0.202 CC[C@@H](C)CCCCCCCC(=O)O CNP0464683.1 [0,2,0,0,0,0|0,0,0]=2 540 B13R0.202 CC[C@H](C)CCCCCCCC(=O)O CNP0464683.2 [0,2,0,0,0,0|0,0,0]=2 541 B13R0.202 COC(=O)CCCCCCCC(=O)C CNP0550064.0 [0,2,0,0,0,0|0,0,1]=3 542 B13R0.202 COC(=O)CCCCCCCC(=O)O CNP0202412.0 [0,2,0,0,0,0|0,0,1]=3 543 B13R0.2 C=CCCCCCCCC(=O)OCC CNP0561434.0 [0,2,0,0,0,0|0,0,2]=4 544 B13R0.2 C=COC(=O)CCCCCCCCC CNP0137792.0 [0,2,0,0,0,0|0,0,0]=2 545 B13R0.2 CCCCCC=CCCC(=O)OCC CNP0247879.0 [0,2,0,0,0,0|0,0,2]=4 546 B13R0.2 CCCCCCCC=CC(=O)OCC CNP0323878.0 [0,2,0,0,0,0|0,0,2]=4 547 B13R0.2 CCCCCCCCCC(=O)CC=O CNP0246850.0 [0,2,0,0,0,0|0,0,1]=3 548 B13R0.2 CCCCCCCCCC(=O)CCC CNP0343183.0 [0,2,0,0,0,0|1,0,0]=3 549 B13R0.2 CCCCCCCCCC(=O)OCC CNP0245893.0 [0,2,0,0,0,0|0,0,0]=2 550 B13R0.2 CCCCCCCCOC(=O)CCC CNP0140143.0 [0,2,0,0,0,0|2,0,0]=4 551 B13R0.2 CCOC(=O)CCCCCCCC=O CNP0276438.0 [0,2,0,0,0,0|1,0,1]=4 552 B13R0.2 CCOC(=O)CCCCCCCCO CNP0242583.0 [0,2,0,0,0,0|1,0,0]=3 553 B13R0.340 CCCCCCCC[C@@H](C)C(=O)OC CNP0315114.1 [0,2,0,0,0,0|0,0,0]=2 554 B13R0.412 CCCCCCCCCC(OC)OC CNP0017635.0 [0,2,0,0,0,0|0,0,2]=4 555 B13R0.91 CCCC(=N)NCCC[C@H](N)C(=O)O CNP0501474.1 [0,2,0,0,0,0|1,0,1]=4 556 B13R0.284 CCCCCCC(C)CC(C)C(=O)C CNP0345073.0 [0,2,0,0,0,0|1,0,0]=3 557 B13R0.284 CCCCCC[C@H](C)/C=C(\C)/C(=O)O CNP0544176.1 [0,2,0,0,0,0|0,0,2]=4 558 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [1,0,0,1,0,0|0,0,0]=2 559 B11R1.24 CCCCC1COCC(=O)O1 CNP0582719.0 [1,0,0,1,0,0|1,0,0]=3 560 B11R1.27 CC/C=C\C[C@@H]1CCC(=O)O1 CNP0282378.1 [1,0,0,1,0,0|0,0,2]=4 561 B11R1.27 CCCCCC1=CCC(=O)O1 CNP0349463.0 [1,0,0,1,0,0|0,0,2]=4 562 B11R1.27 CCCCC[C@@H]1C=CC(=O)O1 CNP0342511.1 [1,0,0,1,0,0|0,0,2]=4 563 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [1,0,0,1,0,0|0,0,0]=2 564 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [1,0,0,1,0,0|0,0,0]=2 565 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [1,0,0,1,0,0|0,0,2]=4 566 B11R1.86 CC(=O)C[C@@H]1CCCCN1C CNP0400104.1 [1,0,0,1,0,0|2,0,0]=4 567 B11R1.86 CC(=O)C[C@H]1CCCCN1C CNP0400104.2 [1,0,0,1,0,0|2,0,0]=4 568 B11R1.86 CC1=C(CCCC1)CC(=O)O CNP0142291.0 [1,0,0,1,0,0|0,0,2]=4 569 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [1,0,0,1,0,0|0,0,0]=2 570 B11R1.91 O=C(O)CC[C@@H]1COCCO1 CNP0317078.2 [1,0,0,1,0,0|2,0,0]=4 571 B11R1.91 O=C(O)CC[C@H]1COCCO1 CNP0317078.1 [1,0,0,1,0,0|2,0,0]=4 572 B11R1.101 O=C1C=CCCCCCCO1 CNP0528458.0 [1,0,0,1,0,0|0,0,2]=4 573 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [1,0,0,1,0,0|1,0,1]=4 574 B11R1.204 O=C(O)[C@@H]1CCN1CCCO CNP0196381.1 [1,0,0,1,0,0|2,0,0]=4 575 B11R1.706 O=C(O)[C@@H]1CC/C=C/CCC1 CNP0454234.1 [1,0,0,1,0,0|0,0,2]=4 576 B11R1.706 O=C(O)[C@H]1CC/C=C/CCC1 CNP0454234.2 [1,0,0,1,0,0|0,0,2]=4 577 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [1,0,0,1,0,0|0,0,0]=2 578 B11R1.4 CCCCCCC1CCCC1 CNP0324091.0 [1,0,0,1,0,0|1,0,1]=4 579 B11R1.17 CC#CC[C@H]1CCCCC1=O CNP0076380.1 [1,0,0,1,0,0|0,0,2]=4 580 B11R1.17 CC=CCC1CCCCC1=O CNP0520836.0 [1,0,0,1,0,0|0,0,2]=4 581 B11R1.17 N#CCC[C@@H]1CCCCC1=O CNP0389654.1 [1,0,0,1,0,0|1,0,1]=4 582 B11R1.17 N#CCC[C@H]1CCCCC1=O CNP0389654.2 [1,0,0,1,0,0|1,0,1]=4 583 B11R1.18 CCCCC1CCCC1CC CNP0603151.0 [1,0,0,1,0,0|1,0,1]=4 584 B11R1.28 CCCCCC1CCCCC1 CNP0356632.0 [1,0,0,1,0,0|1,0,1]=4 585 B11R1.28 CCCCCC1CCCCN1 CNP0582623.0 [1,0,0,1,0,0|1,0,1]=4 586 B11R1.28 O=CCCCC1CCNCC1 CNP0601651.0 [1,0,0,1,0,0|1,0,0]=3 587 B11R1.41 CCCC1CCCCC1CC CNP0083068.0 [1,0,0,1,0,0|1,0,1]=4 588 B11R1.85 O=C1CCCCCCCC1=O CNP0559749.0 [1,0,0,1,0,0|1,0,1]=4 589 B11R1.92 C1=CCCCCNCCCC1 CNP0403056.0 [1,0,0,1,0,0|2,0,0]=4 590 B11R1.92 C1CCCCCCCCCC1 CNP0508104.0 [1,0,0,1,0,0|1,0,1]=4 591 B11R1.180 CCCCCC1=CCCC1=O CNP0080134.0 [1,0,0,1,0,0|0,0,2]=4 592 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [1,0,0,1,0,0|0,0,0]=2 593 B11R1.180 CCCCCC1CCOC1=O CNP0186949.0 [1,0,0,1,0,0|1,0,0]=3 594 B11R1.180 CCCCC[C@@H]1CC=CC1=O CNP0037134.2 [1,0,0,1,0,0|0,0,2]=4 595 B11R1.180 CCCCC[C@H]1CC=CC1=O CNP0037134.1 [1,0,0,1,0,0|0,0,2]=4 596 B13R1.27 CCCCCCCC1C=CC(=O)O1 CNP0546311.0 [0,1,0,1,0,0|0,0,1]=3 597 B13R1.27 CCCCCCC[C@@H]1CCC(=O)O1 CNP0201617.2 [0,1,0,1,0,0|0,0,0]=2 598 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 CNP0201617.1 [0,1,0,1,0,0|0,0,0]=2 599 B13R1.55 CCCCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0218581.3 [0,1,0,1,0,0|0,0,0]=2 600 B13R1.55 CCCCC[C@@H]1C[C@H](CC(=O)O1)O CNP0218581.4 [0,1,0,1,0,0|0,0,0]=2 601 B13R1.55 CCCCC[C@H]1C[C@@H](CC(=O)O1)O CNP0218581.1 [0,1,0,1,0,0|0,0,0]=2 602 B13R1.55 CCCCC[C@H]1C[C@H](CC(=O)O1)O CNP0218581.2 [0,1,0,1,0,0|0,0,0]=2 603 B13R1.190 CCCCCCC1OC(=O)CC1C CNP0251689.0 [0,1,0,1,0,0|0,0,0]=2 604 B13R1.190 CCCCCC[C@@H]1CC(=O)CC1=O CNP0252659.1 [0,1,0,1,0,0|1,0,1]=4 605 B13R1.775 C[C@@H]1CCC/C=C/[C@@H](CC(=O)O1)O CNP0105808.2 [0,1,0,1,0,0|0,0,2]=4 606 B13R1.775 C[C@@H]1CCC/C=C/[C@H](CC(=O)O1)O CNP0105808.1 [0,1,0,1,0,0|0,0,2]=4 607 B13R1.775 C[C@@H]1CCCCC[C@@H](CC(=O)O1)O CNP0358124.2 [0,1,0,1,0,0|0,0,0]=2 608 B13R1.775 C[C@@H]1CCCCC[C@H](CC(=O)O1)O CNP0358124.1 [0,1,0,1,0,0|0,0,0]=2 609 B13R1.775 C[C@@H]1C[C@H](C/C=C/CCC(=O)O1)O CNP0547681.1 [0,1,0,1,0,0|0,0,2]=4 610 B13R1.1107 O=C(O)CN1CCNCCNCC1 CNP0035658.0 [0,1,0,1,0,0|2,0,0]=4 611 B13R1.1882 CCCCCC[C@H]1C[C@@H]1CC(=O)O CNP0327293.2 [0,1,0,1,0,0|0,0,0]=2 612 B13R1.1882 CCCCCC[C@H]1C[C@H]1CC(=O)O CNP0327293.1 [0,1,0,1,0,0|0,0,0]=2 613 B13R1.2433 CCCCCCC[C@@H]1C[C@@H]1C(=O)O CNP0256007.1 [0,1,0,1,0,0|0,0,0]=2 614 B13R1.2433 CCCCCCC[C@@H]1C[C@H]1C(=O)O CNP0256007.3 [0,1,0,1,0,0|0,0,0]=2 615 B13R1.2433 CCCCCCC[C@H]1C[C@@H]1C(=O)O CNP0256007.2 [0,1,0,1,0,0|0,0,0]=2 616 B13R1.2433 CCCCCCC[C@H]1C[C@H]1C(=O)O CNP0256007.4 [0,1,0,1,0,0|0,0,0]=2 617 B13R1.128 CC(C)CCCCC1CCC(=O)O1 CNP0213089.0 [0,1,0,1,0,0|0,0,0]=2 618 B13R1.128 O=C(O)CCCC[C@@H]1CC[S@+](S1)[O-] CNP0527658.1 [0,1,0,1,0,0|2,0,0]=4 619 B13R1.128 O=C(O)CCCC[C@@H]1CC[S@@+](S1)[O-] CNP0527658.2 [0,1,0,1,0,0|2,0,0]=4 620 B13R1.337 O=C(O)CCCCC1CCCCC1 CNP0301405.0 [0,1,0,1,0,0|0,0,0]=2 621 B13R1.8394 CC1CCCCC(OC(=O)CC1)C CNP0123638.0 [0,1,0,1,0,0|0,0,0]=2 622 B13R1.8394 C[C@@H]1CC[C@H](/C=C/CCC(=O)O1)O CNP0514639.2 [0,1,0,1,0,0|0,0,2]=4 623 B13R1.8394 C[C@@H]1CC[C@H](/C=C\CCC(=O)O1)O CNP0514639.1 [0,1,0,1,0,0|0,0,2]=4 624 B13R1.3523 O=S(=O)(O)CCNC1CCCCC1 CNP0562421.0 [0,1,0,1,0,0|2,0,0]=4 625 B13R1.3821 CC1CCCCCCC(=O)OC1C CNP0207162.0 [0,1,0,1,0,0|0,0,0]=2 626 B13R1.23 CCCCC[C@@H](O)[C@@H]1CCC(=O)O1 CNP0381718.2 [0,1,0,1,0,0|0,0,0]=2 627 B13R1.23 CCCCC[C@@H](O)[C@H]1CCC(=O)O1 CNP0381718.3 [0,1,0,1,0,0|0,0,0]=2 628 B13R1.23 CCCCC[C@H](O)[C@@H]1CCC(=O)O1 CNP0381718.1 [0,1,0,1,0,0|0,0,0]=2 629 B13R1.23 CCCCC[C@H](O)[C@H]1CCC(=O)O1 CNP0381718.4 [0,1,0,1,0,0|0,0,0]=2 630 B13R1.280 O=C(O)CCN1CCCCCC1=O CNP0398881.0 [0,1,0,1,0,0|1,0,1]=4 631 B13R1.7541 C[C@@H]1C/C=C/[C@@H](CCCC(=O)O1)O CNP0311839.3 [0,1,0,1,0,0|0,0,2]=4 632 B13R1.7541 C[C@@H]1C/C=C/[C@H](CCCC(=O)O1)O CNP0311839.1 [0,1,0,1,0,0|0,0,2]=4 633 B13R1.7541 C[C@@H]1C/C=C\[C@H](CCCC(=O)O1)O CNP0311839.2 [0,1,0,1,0,0|0,0,2]=4 634 B13R1.6 CCC=CCCC1CCCC(=O)O1 CNP0119575.0 [0,1,0,1,0,0|0,0,1]=3 635 B13R1.6 CCCCCCC1CCCC(=O)O1 CNP0280779.0 [0,1,0,1,0,0|0,0,0]=2 636 B13R1.6 CCCCCCC1COCC(=O)O1 CNP0002639.0 [0,1,0,1,0,0|0,0,0]=2 637 B13R1.167 CC(=O)CCCCC1CCCC1=O CNP0595724.0 [0,1,0,1,0,0|1,0,1]=4 638 B13R1.167 O=C(O)CCCC[C@@H]1CCS[S@+]1[O-] CNP0604779.1 [0,1,0,1,0,0|2,0,0]=4 639 B13R1.167 O=C(O)CCCC[C@@H]1CCS[S@@H+]1[O-] CNP0481153.1 [0,1,0,1,0,0|2,0,0]=4 640 B13R1.279 O=C1CCCCCCCCCCC1 CNP0294882.0 [0,1,0,1,0,0|1,0,0]=3 641 B13R1.279 O=C1CCCCCCCCCCO1 CNP0348572.0 [0,1,0,1,0,0|0,0,0]=2 642 B13R1.279 OC1CCCCCCCCCCC1 CNP0367434.0 [0,1,0,1,0,0|1,0,1]=4 643 B13R1.1052 O=C(O)CCCCCCCC1CO1 CNP0582763.0 [0,1,0,1,0,0|0,0,0]=2 644 B13R1.9 CCCCCCC1COC(=O)CO1 CNP0002636.0 [0,1,0,1,0,0|1,0,0]=3 645 B13R1.351 N[C@@H](CCN1CCOCC1)C(=O)O CNP0593333.2 [0,1,0,1,0,0|2,0,0]=4 646 B13R1.351 N[C@H](CCN1CCOCC1)C(=O)O CNP0593333.1 [0,1,0,1,0,0|2,0,0]=4 647 B13R1.45 O=C(O)CNC(=O)C1CCCCC1 CNP0343707.0 [0,1,0,1,0,0|1,0,1]=4 648 B13R1.3688 CCC=CCCC1(CCC(=O)O1)C CNP0190036.0 [0,1,0,1,0,0|0,0,2]=4 649 B13R1.3688 CCCCCCC1(CCC(=O)O1)C CNP0002940.0 [0,1,0,1,0,0|0,0,0]=2 650 B13R1.3575 C[C@@]1(CCOC[C@@H]1NCC(=O)O)O CNP0257002.2 [0,1,0,1,0,0|2,0,0]=4 651 B13R1.3575 C[C@@]1(CCOC[C@H]1NCC(=O)O)O CNP0257002.1 [0,1,0,1,0,0|2,0,0]=4 652 B13R1.3575 C[C@]1(CCOC[C@@H]1NCC(=O)O)O CNP0257002.4 [0,1,0,1,0,0|2,0,0]=4 653 B13R1.3575 C[C@]1(CCOC[C@H]1NCC(=O)O)O CNP0257002.3 [0,1,0,1,0,0|2,0,0]=4 654 B13R2.260 CCOC1CCC2N1C(=O)CC2 CNP0511470.0 [0,0,0,2,0,0|2,0,0]=4 655 B13R2.4820 O=C1NCCN2[C@H]1CCCCC2 CNP0440709.1 [0,0,0,2,0,0|2,0,0]=4 656 B13R2.328 C[C@@H]1CC(=O)C2CCCC[C@H]2N1 CNP0266983.1 [0,0,0,2,0,0|2,0,0]=4 657 B13R2.328 C[C@@H]1CC(=O)C[C@@H]2N1CCCC2 CNP0210216.3 [0,0,0,2,0,0|2,0,0]=4 658 B13R2.328 C[C@@H]1CC(=O)C[C@H]2N1CCCC2 CNP0210216.4 [0,0,0,2,0,0|2,0,0]=4 659 B13R2.328 C[C@@H]1CC(=O)[C@@H]2CCCC[C@H]2N1 CNP0266983.3 [0,0,0,2,0,0|2,0,0]=4 660 B13R2.328 C[C@@H]1CC(=O)[C@H]2CCCC[C@H]2N1 CNP0266983.2 [0,0,0,2,0,0|2,0,0]=4 661 B13R2.328 C[C@H]1CC(=O)C[C@@H]2N1CCCC2 CNP0210216.1 [0,0,0,2,0,0|2,0,0]=4 662 B13R2.328 C[C@H]1CC(=O)C[C@H]2N1CCCC2 CNP0210216.2 [0,0,0,2,0,0|2,0,0]=4 663 B13R2.435 O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 CNP0562862.1 [0,0,0,2,0,0|1,0,0]=3 664 B13R2.13710 CC(=O)[C@@H]1CCCC2CCC1N2 CNP0456212.2 [0,0,0,2,0,0|2,0,0]=4 665 B13R2.13710 CC(=O)[C@@H]1CCC[C@H]2CC[C@@H]1N2 CNP0456212.4 [0,0,0,2,0,0|2,0,0]=4 666 B13R2.13710 CC(=O)[C@H]1CCCC2CCC1N2 CNP0456212.1 [0,0,0,2,0,0|2,0,0]=4 667 B13R2.13710 CC(=O)[C@H]1CCC[C@H]2CC[C@@H]1N2 CNP0456212.3 [0,0,0,2,0,0|2,0,0]=4 668 B13R2.3633 C[C@]1(CCCCC12CCCC2)O CNP0228162.1 [0,0,0,2,0,0|1,0,1]=4 669 B13R2.1412 CCC1OC1C2OC2CC(=O)O CNP0345626.0 [0,0,0,2,0,0|2,0,0]=4