0 B11R0.148 C#CCCCCCCCC(=O)O CNP0319936.0 [0,0,0,0,0,0|1,0,3]=4 1 B11R0.148 C#CCCCCCCC[C@H](C)O CNP0216303.1 [0,0,0,0,0,0|0,0,2]=2 2 B11R0.148 C=CCCCCCCCC(=O)C CNP0147878.0 [0,0,0,0,0,0|0,0,4]=4 3 B11R0.148 C=CCCCCCCCC(=O)O CNP0349039.0 [0,0,0,0,0,0|1,0,3]=4 4 B11R0.148 C=CCCCCCCCC(C)C CNP0591063.0 [0,0,0,0,0,0|1,0,2]=3 5 B11R0.148 C=CCCCCCCC[C@H](C)O CNP0330711.1 [0,0,0,0,0,0|0,0,2]=2 6 B11R0.148 CC=CCCCCCCC(=O)O CNP0359674.0 [0,0,0,0,0,0|1,0,3]=4 7 B11R0.148 CCC=CCCCCCC(=O)O CNP0230092.0 [0,0,0,0,0,0|1,0,3]=4 8 B11R0.148 CCCC/C=C\CCC[C@@H](C)O CNP0328991.1 [0,0,0,0,0,0|0,0,2]=2 9 B11R0.148 CCCC=CCCCCC(=O)C CNP0145750.0 [0,0,0,0,0,0|0,0,4]=4 10 B11R0.148 CCCC=CCCCCC(=O)O CNP0345656.0 [0,0,0,0,0,0|1,0,3]=4 11 B11R0.148 CCCCC=CCCCC(=O)O CNP0002615.0 [0,0,0,0,0,0|1,0,3]=4 12 B11R0.148 CCCCCC=CCCC(=O)C CNP0261656.0 [0,0,0,0,0,0|0,0,4]=4 13 B11R0.148 CCCCCC=CCCC(=O)O CNP0165247.0 [0,0,0,0,0,0|1,0,3]=4 14 B11R0.148 CCCCCCC=CCC(=O)O CNP0245227.0 [0,0,0,0,0,0|1,0,3]=4 15 B11R0.148 CCCCCCCC=CC(=O)C CNP0126399.0 [0,0,0,0,0,0|0,0,4]=4 16 B11R0.148 CCCCCCCC=CC(=O)O CNP0134914.0 [0,0,0,0,0,0|1,0,3]=4 17 B11R0.148 CCCCCCCCC=C(C)C CNP0555992.0 [0,0,0,0,0,0|1,0,2]=3 18 B11R0.148 CCCCCCCCCC(=O)C CNP0310446.0 [0,0,0,0,0,0|0,0,2]=2 19 B11R0.148 CCCCCCCCCC(=O)Cl CNP0310799.0 [0,0,0,0,0,0|1,0,2]=3 20 B11R0.148 CCCCCCCCCC(=O)N CNP0196101.0 [0,0,0,0,0,0|1,0,2]=3 21 B11R0.148 CCCCCCCCCC(=O)O CNP0213238.0 [0,0,0,0,0,0|1,0,1]=2 22 B11R0.148 CCCCCCCCCC(=O)S CNP0175900.0 [0,0,0,0,0,0|1,0,2]=3 23 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527675.0 [0,0,0,0,0,0|1,0,2]=3 24 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0527709.0 [0,0,0,0,0,0|1,0,2]=3 25 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0572352.0 [0,0,0,0,0,0|1,0,2]=3 26 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0599431.0 [0,0,0,0,0,0|1,0,2]=3 27 B11R0.148 CCCCCCCCCC(=O)[O-] CNP0602582.0 [0,0,0,0,0,0|1,0,2]=3 28 B11R0.148 CCCCCCCCCC(C)C CNP0076440.0 [0,0,0,0,0,0|1,0,0]=1 29 B11R0.148 CCCCCCCCC[C@@H](C)O CNP0370761.1 [0,0,0,0,0,0|0,0,0]=0 30 B11R0.148 CCCCCCCCC[C@H](C)O CNP0370761.2 [0,0,0,0,0,0|0,0,0]=0 31 B11R0.148 CCCCCCCCOC(=O)C CNP0207320.0 [0,0,0,0,0,0|1,0,2]=3 32 B11R0.148 CCCCCCCCO[13C](=O)C CNP0542593.0 [0,0,0,0,0,0|1,0,2]=3 33 B11R0.148 CCCCCCCCSC(=O)C CNP0537924.0 [0,0,0,0,0,0|1,0,2]=3 34 B11R0.148 CCCCCOCCOC(=O)C CNP0497389.0 [0,0,0,0,0,0|2,0,2]=4 35 B11R0.148 COCCCCCCCC(=O)O CNP0294553.0 [0,0,0,0,0,0|2,0,1]=3 36 B11R0.148 C[S+]([O-])CCCCCCCCN CNP0583267.0 [0,0,0,0,0,0|2,0,1]=3 37 B11R0.148 C[S@+]([O-])CCCCCCCC#N CNP0570120.1 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.148 C[S@+]([O-])CCCCCCCC=N CNP0478957.1 [0,0,0,0,0,0|2,0,2]=4 39 B11R0.148 C[S@H+]([O-])CCCCCCCC#N CNP0479647.1 [0,0,0,0,0,0|2,0,2]=4 40 B11R0.148 C[S@H+]([O-])CCCCCCCC=N CNP0504595.1 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.148 NCCCCCCCNC(N)N CNP0511413.0 [0,0,0,0,0,0|4,0,0]=4 42 B11R0.148 O=C(O)CCCCCCCCO CNP0086761.0 [0,0,0,0,0,0|2,0,1]=3 43 B11R0.148 O=CCCCCCCCC(=O)O CNP0472761.0 [0,0,0,0,0,0|2,0,2]=4 44 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [1,0,0,0,0,0|1,0,2]=4 45 B10R0.4 CC(C)CCCCCCC=O CNP0143553.0 [1,0,0,0,0,0|2,0,1]=4 46 B10R0.4 CCCCCCC#C[C@H](C)O CNP0076972.1 [1,0,0,0,0,0|0,0,2]=3 47 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [1,0,0,0,0,0|0,0,2]=3 48 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [1,0,0,0,0,0|0,0,2]=3 49 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [1,0,0,0,0,0|1,0,2]=4 50 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [1,0,0,0,0,0|1,0,2]=4 51 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [1,0,0,0,0,0|1,0,1]=3 52 B10R0.4 CCCCCCCCC(C)C CNP0188292.0 [1,0,0,0,0,0|1,0,0]=2 53 B10R0.4 CCCCCCCC[C@@H](C)O CNP0256065.2 [1,0,0,0,0,0|0,0,0]=1 54 B10R0.4 CCCCCCCC[C@H](C)O CNP0256065.1 [1,0,0,0,0,0|0,0,0]=1 55 B10R0.4 CCCCCCCC[S@@+](C)[O-] CNP0591138.1 [1,0,0,0,0,0|1,0,1]=3 56 B10R0.4 CCCCCCCC[S@@H+](C)[O-] CNP0547164.1 [1,0,0,0,0,0|1,0,1]=3 57 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [1,0,0,0,0,0|1,0,2]=4 58 B10R0.4 CCCCOCCOC(C)O CNP0572466.0 [1,0,0,0,0,0|2,0,0]=3 59 B10R0.4 CCCCSSCCC(C)C CNP0600028.0 [1,0,0,0,0,0|3,0,0]=4 60 B10R0.4 C[S+]([O-])CCCCCCCN CNP0536985.0 [1,0,0,0,0,0|2,0,1]=4 61 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [1,0,0,0,0,0|2,0,1]=4 62 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [1,0,0,0,0,0|2,0,1]=4 63 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [1,0,0,0,0,0|2,0,1]=4 64 B10R0.71 C#CCCCCCCCCC CNP0601883.0 [1,0,0,0,0,0|0,0,2]=3 65 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [1,0,0,0,0,0|0,0,2]=3 66 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [1,0,0,0,0,0|0,0,2]=3 67 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [1,0,0,0,0,0|0,0,2]=3 68 B10R0.71 CCC#CCCCCCCC CNP0585103.0 [1,0,0,0,0,0|0,0,2]=3 69 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [1,0,0,0,0,0|0,0,2]=3 70 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [1,0,0,0,0,0|0,0,2]=3 71 B10R0.71 CCCC#CCCCCCC CNP0606026.0 [1,0,0,0,0,0|0,0,2]=3 72 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [1,0,0,0,0,0|0,0,2]=3 73 B10R0.71 CCCC=CCOCCCC CNP0076694.0 [1,0,0,0,0,0|1,0,2]=4 74 B10R0.71 CCCCC=CCCCCC CNP0245948.0 [1,0,0,0,0,0|0,0,2]=3 75 B10R0.71 CCCCC=CCCCCO CNP0201281.0 [1,0,0,0,0,0|0,0,2]=3 76 B10R0.71 CCCCCC=CCCCO CNP0003298.0 [1,0,0,0,0,0|0,0,2]=3 77 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [1,0,0,0,0,0|0,0,2]=3 78 B10R0.71 CCCCCCCC#CCO CNP0354632.0 [1,0,0,0,0,0|0,0,2]=3 79 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [1,0,0,0,0,0|0,0,2]=3 80 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [1,0,0,0,0,0|1,0,1]=3 81 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [1,0,0,0,0,0|0,0,2]=3 82 B10R0.71 CCCCCCCCCCC CNP0270748.0 [1,0,0,0,0,0|0,0,0]=1 83 B10R0.71 CCCCCCCCCCI CNP0573243.0 [1,0,0,0,0,0|1,0,0]=2 84 B10R0.71 CCCCCCCCCCN CNP0456638.0 [1,0,0,0,0,0|1,0,0]=2 85 B10R0.71 CCCCCCCCCCO CNP0305576.0 [1,0,0,0,0,0|0,0,0]=1 86 B10R0.71 CCCCCCCCCCS CNP0541016.0 [1,0,0,0,0,0|0,1,0]=2 87 B10R0.71 CCCCCCCCCC[11CH3] CNP0510425.0 [1,0,0,0,0,0|0,0,0]=1 88 B10R0.71 CCCCCCCCCOC CNP0246631.0 [1,0,0,0,0,0|1,0,0]=2 89 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [1,0,0,0,0,0|1,0,2]=4 90 B10R0.71 CCCCCCCCOCC CNP0319929.0 [1,0,0,0,0,0|1,0,0]=2 91 B10R0.71 CCCCCNCCCCC CNP0450899.0 [1,0,0,0,0,0|1,0,0]=2 92 B10R0.71 CCCCOCCOCCO CNP0079968.0 [1,0,0,0,0,0|2,0,0]=3 93 B10R0.71 CCCCSSSCCCC CNP0505576.0 [1,0,0,0,0,0|3,0,0]=4 94 B10R0.71 CCOCCOCCOCC CNP0581610.0 [1,0,0,0,0,0|3,0,0]=4 95 B10R0.71 COCCOCCOCCO CNP0413334.0 [1,0,0,0,0,0|3,0,0]=4 96 B10R0.71 CSCCCCCCC=NO CNP0274006.0 [1,0,0,0,0,0|2,0,1]=4 97 B10R0.71 CSCCCCCCCC#N CNP0327429.0 [1,0,0,0,0,0|2,0,1]=4 98 B10R0.71 CSCCCCCCCCN CNP0083876.0 [1,0,0,0,0,0|2,0,0]=3 99 B10R0.71 NCCCCCNCCCN CNP0335308.0 [1,0,0,0,0,0|3,0,0]=4 100 B10R0.71 NCCCCNCCCCN CNP0224806.0 [1,0,0,0,0,0|3,0,0]=4 101 B10R0.71 OCCCCCCCCCO CNP0496013.0 [1,0,0,0,0,0|1,0,0]=2 102 B10R0.71 SCCCCCCCCCS CNP0323084.0 [1,0,0,0,0,0|1,1,0]=3 103 B10R0.71 [2H]CCCCCCCCCC CNP0534733.0 [1,0,0,0,0,0|1,0,0]=2 104 B12R0.4 CCCCCCCC(=O)CC(=O)O CNP0066473.0 [0,1,0,0,0,0|1,0,2]=4 105 B12R0.4 CCCCCCC[C@@H](O)CC(=O)O CNP0310989.2 [0,1,0,0,0,0|1,0,1]=3 106 B12R0.4 CCCCCCC[C@H](C)CC(C)C CNP0113315.1 [0,1,0,0,0,0|1,0,0]=2 107 B12R0.4 CCCCCCC[C@H](C)OC(=O)C CNP0247723.1 [0,1,0,0,0,0|1,0,2]=4 108 B12R0.4 CCCCCCC[C@H](O)CC(=O)O CNP0310989.1 [0,1,0,0,0,0|1,0,1]=3 109 B12R0.4 CCCCCCOC(=O)CC(C)C CNP0187690.0 [0,1,0,0,0,0|2,0,1]=4 110 B12R0.4 CCCCCCOC(=O)CC(C)S CNP0003261.0 [0,1,0,0,0,0|1,1,1]=4 111 B12R0.95 CCCCC(=O)OCCCC(C)C CNP0320343.0 [0,1,0,0,0,0|2,0,1]=4 112 B12R0.95 CCCC[C@H](O)CCCCC(=O)O CNP0272139.1 [0,1,0,0,0,0|1,0,1]=3 113 B12R0.119 CCCCCCCCNS(=O)(=O)O CNP0459977.0 [0,1,0,0,0,0|3,0,0]=4 114 B12R0.119 CCCCCCCCOP(=O)(O)O CNP0155776.0 [0,1,0,0,0,0|3,0,0]=4 115 B12R0.119 CCCCCCCCOS(=O)(=O)O CNP0146110.0 [0,1,0,0,0,0|3,0,0]=4 116 B12R0.184 CCC(C)CCCCCCC(C)C CNP0128585.0 [0,1,0,0,0,0|1,0,0]=2 117 B12R0.184 CC[C@H](C)CCCCCCC(=O)O CNP0206079.1 [0,1,0,0,0,0|1,0,1]=3 118 B12R0.184 COC(=O)CCCCCCC(C)C CNP0053571.0 [0,1,0,0,0,0|2,0,1]=4 119 B12R0.184 COC(=O)CCCCCC[C@@H](C)O CNP0200547.1 [0,1,0,0,0,0|1,0,1]=3 120 B12R0.233 C=C(CCCCC)CCCC(=O)O CNP0458205.0 [0,1,0,0,0,0|1,0,2]=4 121 B12R0.233 CC(C)CCC[C@@H](C)CCCCO CNP0362773.1 [0,1,0,0,0,0|2,0,0]=3 122 B12R0.233 CC(C)CCC[C@H](C)CCCCO CNP0362773.2 [0,1,0,0,0,0|2,0,0]=3 123 B12R0.233 CCCCCC(=O)CCCC(=O)O CNP0370041.0 [0,1,0,0,0,0|1,0,2]=4 124 B12R0.233 CCCCCC(=O)CCC[C@H](C)O CNP0232035.1 [0,1,0,0,0,0|0,0,1]=2 125 B12R0.233 CCCCCC(=O)OCCC(C)C CNP0118805.0 [0,1,0,0,0,0|2,0,1]=4 126 B12R0.233 CCCCCC(C)CCCC(C)C CNP0542060.0 [0,1,0,0,0,0|1,0,0]=2 127 B12R0.233 CCCCC[C@H](O)CCCC(=O)O CNP0114225.1 [0,1,0,0,0,0|1,0,1]=3 128 B12R0.234 C#CCCCCCCCCC(=O)O CNP0190624.0 [0,1,0,0,0,0|1,0,2]=4 129 B12R0.234 C=CCCCCCCCCC(=O)O CNP0198208.0 [0,1,0,0,0,0|1,0,2]=4 130 B12R0.234 CC#CCCCCCCCC(=O)O CNP0171980.0 [0,1,0,0,0,0|1,0,2]=4 131 B12R0.234 CCCCCCCC=CCC(=O)C CNP0496301.0 [0,1,0,0,0,0|0,0,3]=4 132 B12R0.234 CCCCCCCCC=CC(=O)O CNP0422564.0 [0,1,0,0,0,0|1,0,2]=4 133 B12R0.234 CCCCCCCCCCC(=O)C CNP0168691.0 [0,1,0,0,0,0|0,0,2]=3 134 B12R0.234 CCCCCCCCCCC(=O)O CNP0154912.0 [0,1,0,0,0,0|1,0,1]=3 135 B12R0.234 CCCCCCCCCCC(C)C CNP0258052.0 [0,1,0,0,0,0|1,0,0]=2 136 B12R0.234 CCCCCCCCCCC(O)O CNP0076204.0 [0,1,0,0,0,0|1,0,0]=2 137 B12R0.234 CCCCCCCCCC[C@H](C)O CNP0327823.1 [0,1,0,0,0,0|0,0,0]=1 138 B12R0.234 CCCCCCCCCOC(=O)C CNP0250890.0 [0,1,0,0,0,0|0,0,2]=3 139 B12R0.234 C[S@+]([O-])CCCCCCCCC#N CNP0508187.1 [0,1,0,0,0,0|1,0,2]=4 140 B12R0.234 C[S@H+]([O-])CCCCCCCCC#N CNP0499553.1 [0,1,0,0,0,0|1,0,2]=4 141 B12R0.234 O=C(O)CCCCCCCCCO CNP0294307.0 [0,1,0,0,0,0|1,0,1]=3 142 B12R0.248 C#CCCCCCCC[C@@H](C)OC CNP0247921.1 [0,1,0,0,0,0|0,0,2]=3 143 B12R0.248 C=CC(=O)CCCCCCCCC CNP0105121.0 [0,1,0,0,0,0|0,0,3]=4 144 B12R0.248 C=CCCCCCCCC(C)C=O CNP0082078.0 [0,1,0,0,0,0|0,0,3]=4 145 B12R0.248 CCCCCCCCCC(=NO)C CNP0318820.0 [0,1,0,0,0,0|0,0,1]=2 146 B12R0.248 CCCCCCCCCC(=O)CC CNP0517584.0 [0,1,0,0,0,0|0,0,2]=3 147 B12R0.248 CCCCCCCCCC(=O)OC CNP0223324.0 [0,1,0,0,0,0|0,0,2]=3 148 B12R0.248 CCCCCCCCCC(C)CC CNP0349662.0 [0,1,0,0,0,0|1,0,0]=2 149 B12R0.248 CCCCCCCCC[C@@H](C)C=O CNP0086491.2 [0,1,0,0,0,0|0,0,1]=2 150 B12R0.248 CCCCCCCCC[C@@H](C)CI CNP0083067.1 [0,1,0,0,0,0|1,0,0]=2 151 B12R0.248 CCCCCCCCC[C@H](C)C=O CNP0086491.1 [0,1,0,0,0,0|0,0,1]=2 152 B12R0.248 CCCCCCCCOC(=O)CC CNP0215951.0 [0,1,0,0,0,0|1,0,2]=4 153 B12R0.248 COC(=O)CCCCCCCCO CNP0294192.0 [0,1,0,0,0,0|1,0,2]=4 154 B12R0.251 CCCCCCCCC(=O)C(=O)C CNP0137948.0 [0,1,0,0,0,0|0,0,3]=4 155 B12R0.251 CCCCCCCCC(=O)C(=O)O CNP0332447.0 [0,1,0,0,0,0|1,0,2]=4 156 B12R0.251 CCCCCCCC[C@@H](C)C(=O)C CNP0076849.1 [0,1,0,0,0,0|0,0,2]=3 157 B12R0.251 CCCCCCCC[C@@H](C)C(=O)O CNP0216159.2 [0,1,0,0,0,0|1,0,1]=3 158 B12R0.251 CCCCCCCC[C@@H](O)C(=O)O CNP0143340.1 [0,1,0,0,0,0|1,0,1]=3 159 B12R0.251 CCCCCCCC[C@H](C)C(=O)O CNP0216159.1 [0,1,0,0,0,0|1,0,1]=3 160 B12R0.251 CCCCCCCOC(=O)C(C)C CNP0272974.0 [0,1,0,0,0,0|2,0,1]=4 161 B12R0.251 CSCCCCCC[C@@H](N)C(=O)O CNP0384442.1 [0,1,0,0,0,0|2,0,1]=4 162 B12R0.255 CCCCCCC(=O)CCC(=O)C CNP0196471.0 [0,1,0,0,0,0|0,0,3]=4 163 B12R0.255 CCCCCCC(=O)CCC(=O)O CNP0192324.0 [0,1,0,0,0,0|1,0,2]=4 164 B12R0.255 CCCCCCC(=O)OCC(C)C CNP0370161.0 [0,1,0,0,0,0|2,0,1]=4 165 B12R0.255 CCCCCCC(C)CC=C(C)C CNP0591018.0 [0,1,0,0,0,0|1,0,2]=4 166 B12R0.255 CCCCCOC(=O)CCC(C)C CNP0532674.0 [0,1,0,0,0,0|2,0,1]=4 167 B12R0.268 CC(=O)CCCCCCCC(C)C CNP0566315.0 [0,1,0,0,0,0|0,0,2]=3 168 B12R0.268 CC(C)CCCCCCCC(=O)O CNP0109886.0 [0,1,0,0,0,0|1,0,1]=3 169 B12R0.268 C[C@@H](O)CCCCCCCC(=O)O CNP0241170.1 [0,1,0,0,0,0|1,0,1]=3 170 B12R0.277 CCCC(Cl)CCCCOC(=O)C CNP0522583.0 [0,1,0,0,0,0|1,0,2]=4 171 B12R0.277 CCC[C@@H](C)CCCCCC(=O)O CNP0194627.1 [0,1,0,0,0,0|1,0,1]=3 172 B12R0.277 CCC[C@@H](N)CCCCCC(=O)O CNP0362333.2 [0,1,0,0,0,0|1,0,1]=3 173 B12R0.277 CCC[C@H](C)CCCCCC(=O)O CNP0194627.2 [0,1,0,0,0,0|1,0,1]=3 174 B12R0.277 CCC[C@H](N)CCCCCC(=O)O CNP0362333.1 [0,1,0,0,0,0|1,0,1]=3 175 B12R0.277 CCC[C@H](O)CCCCCC(=O)O CNP0317739.1 [0,1,0,0,0,0|1,0,1]=3 176 B12R1.7 CCCCCC[C@@H]1CCC(=O)O1 CNP0229807.1 [0,0,0,1,0,0|1,0,1]=3 177 B12R1.7 CCCCCC[C@H]1CCC(=O)O1 CNP0229807.2 [0,0,0,1,0,0|1,0,1]=3 178 B12R1.28 CCCCCC1COCC(=O)O1 CNP0572092.0 [0,0,0,1,0,0|2,0,1]=4 179 B12R1.28 CCCCC[C@@H]1CCCC(=O)O1 CNP0259863.1 [0,0,0,1,0,0|1,0,1]=3 180 B12R1.28 CCCCC[C@H]1CCCC(=O)O1 CNP0259863.2 [0,0,0,1,0,0|1,0,1]=3 181 B12R1.75 NC[C@@H]1CCCC[C@@H]1CC(=O)O CNP0052408.1 [0,0,0,1,0,0|2,0,1]=4 182 B12R1.75 NC[C@@H]1CCCC[C@H]1CC(=O)O CNP0052408.4 [0,0,0,1,0,0|2,0,1]=4 183 B12R1.75 NC[C@H]1CCCC[C@@H]1CC(=O)O CNP0052408.2 [0,0,0,1,0,0|2,0,1]=4 184 B12R1.75 NC[C@H]1CCCC[C@H]1CC(=O)O CNP0052408.3 [0,0,0,1,0,0|2,0,1]=4 185 B12R1.141 C[C@@H]1CCCCCCCC(=O)O1 CNP0363200.1 [0,0,0,1,0,0|1,0,1]=3 186 B12R1.141 C[C@H]1CCCCCCCC(=O)O1 CNP0363200.2 [0,0,0,1,0,0|1,0,1]=3 187 B12R1.252 CC(=O)OCCC1CCCCC1 CNP0194126.0 [0,0,0,1,0,0|1,0,2]=4 188 B12R1.252 CC(C)CCCC1CCCCC1 CNP0611552.0 [0,0,0,1,0,0|1,0,0]=2 189 B12R1.252 CN(C)CCOC1CCCCC1 CNP0076374.0 [0,0,0,1,0,0|3,0,0]=4 190 B12R1.252 NC(=O)CCCC1CCCCC1 CNP0606256.0 [0,0,0,1,0,0|1,0,2]=4 191 B12R1.321 CCCCC1CCCCC(=O)O1 CNP0167621.0 [0,0,0,1,0,0|1,0,1]=3 192 B12R1.375 CCCCCCCCCC1CC1 CNP0146839.0 [0,0,0,1,0,0|1,0,0]=2 193 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [2,0,0,0,0,0|0,0,2]=4 194 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [2,0,0,0,0,0|1,0,1]=4 195 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [2,0,0,0,0,0|1,0,0]=3 196 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [2,0,0,0,0,0|0,0,0]=2 197 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [2,0,0,0,0,0|0,0,0]=2 198 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [2,0,0,0,0,0|2,0,0]=4 199 B9R0.45 C#CCCCCCCCC CNP0272182.0 [2,0,0,0,0,0|0,0,2]=4 200 B9R0.45 C=CCCCCCCCC CNP0330037.0 [2,0,0,0,0,0|0,0,2]=4 201 B9R0.45 C=CCCCCCCCO CNP0326407.0 [2,0,0,0,0,0|0,0,2]=4 202 B9R0.45 CC#CCCCCCCC CNP0076890.0 [2,0,0,0,0,0|0,0,2]=4 203 B9R0.45 CCC#CCCCCCC CNP0606734.0 [2,0,0,0,0,0|0,0,2]=4 204 B9R0.45 CCC=CCCCCCC CNP0223572.0 [2,0,0,0,0,0|0,0,2]=4 205 B9R0.45 CCC=CCCCCCO CNP0246173.0 [2,0,0,0,0,0|0,0,2]=4 206 B9R0.45 CCCC#CCCCCC CNP0576219.0 [2,0,0,0,0,0|0,0,2]=4 207 B9R0.45 CCCC=CCCCCC CNP0076954.0 [2,0,0,0,0,0|0,0,2]=4 208 B9R0.45 CCCCCC=CCCO CNP0111850.0 [2,0,0,0,0,0|0,0,2]=4 209 B9R0.45 CCCCCCC#CCO CNP0485953.0 [2,0,0,0,0,0|0,0,2]=4 210 B9R0.45 CCCCCCC=CCO CNP0303395.0 [2,0,0,0,0,0|0,0,2]=4 211 B9R0.45 CCCCCCCC=CO CNP0085832.0 [2,0,0,0,0,0|0,0,2]=4 212 B9R0.45 CCCCCCCC=NO CNP0247046.0 [2,0,0,0,0,0|1,0,1]=4 213 B9R0.45 CCCCCCCCC#N CNP0309769.0 [2,0,0,0,0,0|1,0,1]=4 214 B9R0.45 CCCCCCCCC=O CNP0328165.0 [2,0,0,0,0,0|0,0,2]=4 215 B9R0.45 CCCCCCCCCC CNP0279708.0 [2,0,0,0,0,0|0,0,0]=2 216 B9R0.45 CCCCCCCCCI CNP0565198.0 [2,0,0,0,0,0|1,0,0]=3 217 B9R0.45 CCCCCCCCCO CNP0307663.0 [2,0,0,0,0,0|0,0,0]=2 218 B9R0.45 CCCCCCCCOC CNP0305574.0 [2,0,0,0,0,0|1,0,0]=3 219 B9R0.45 CCCCCCCOCC CNP0144632.0 [2,0,0,0,0,0|1,0,0]=3 220 B9R0.45 CCCCCCOCCC CNP0488672.0 [2,0,0,0,0,0|1,0,0]=3 221 B9R0.45 CCCCCOCCCC CNP0134382.0 [2,0,0,0,0,0|1,0,0]=3 222 B9R0.45 CCCCOCCCCO CNP0571704.0 [2,0,0,0,0,0|1,0,0]=3 223 B9R0.45 NCCCCCCCCN CNP0462737.0 [2,0,0,0,0,0|2,0,0]=4 224 B9R0.45 OCCCCCCCCO CNP0076363.0 [2,0,0,0,0,0|1,0,0]=3 225 B9R0.45 SCCCCCCCCS CNP0058300.0 [2,0,0,0,0,0|1,1,0]=4 226 B11R0.2 CCCCCCC(C)CC(C)C CNP0576324.0 [1,1,0,0,0,0|1,0,0]=3 227 B11R0.2 CCCCCC[C@@H](O)CC(=O)O CNP0235064.1 [1,1,0,0,0,0|1,0,1]=4 228 B11R0.2 CCCCCC[C@H](O)CC(=O)O CNP0235064.2 [1,1,0,0,0,0|1,0,1]=4 229 B11R0.30 CC(=O)CCCCCCC(C)C CNP0511068.0 [1,1,0,0,0,0|0,0,2]=4 230 B11R0.30 CC(C)CCCCCCC(=O)O CNP0305146.0 [1,1,0,0,0,0|1,0,1]=4 231 B11R0.30 CC(C)CCCCCCC(C)C CNP0502165.0 [1,1,0,0,0,0|1,0,0]=3 232 B11R0.30 C[C@@H](O)CCCCCCC(=O)O CNP0212379.1 [1,1,0,0,0,0|1,0,1]=4 233 B11R0.40 C=C(CC)CCCCCCCC CNP0359541.0 [1,1,0,0,0,0|1,0,1]=4 234 B11R0.40 C=C[C@@H](O)CCCCCCCC CNP0175244.1 [1,1,0,0,0,0|0,0,1]=3 235 B11R0.40 CCCCCCCCC(=O)CC CNP0144959.0 [1,1,0,0,0,0|0,0,2]=4 236 B11R0.40 CCCCCCCCC(=O)OC CNP0418286.0 [1,1,0,0,0,0|0,0,2]=4 237 B11R0.40 CCCCCCCCC(O)CC CNP0589699.0 [1,1,0,0,0,0|0,0,0]=2 238 B11R0.40 CCCCCCCCC(O)CO CNP0094301.0 [1,1,0,0,0,0|0,0,0]=2 239 B11R0.40 CCCCCCCC[C@H](C)CC CNP0096496.1 [1,1,0,0,0,0|1,0,0]=3 240 B11R0.42 CCCCCCCC(C)C(=O)C CNP0604435.0 [1,1,0,0,0,0|0,0,2]=4 241 B11R0.42 CCCCCCCC(C)C(C)C CNP0351892.0 [1,1,0,0,0,0|1,0,0]=3 242 B11R0.42 CCCCCCCC(O)C(=O)O CNP0562820.0 [1,1,0,0,0,0|1,0,1]=4 243 B11R0.42 CCCCCCC[C@@H](C)C(=O)O CNP0212022.1 [1,1,0,0,0,0|1,0,1]=4 244 B11R0.42 CCCCCCC[C@@H](N)C(=O)O CNP0363510.2 [1,1,0,0,0,0|1,0,1]=4 245 B11R0.42 CCCCCCC[C@H](N)C(=O)O CNP0363510.1 [1,1,0,0,0,0|1,0,1]=4 246 B11R0.46 CCCCCC(C)CCC(=O)O CNP0003048.0 [1,1,0,0,0,0|1,0,1]=4 247 B11R0.111 CC[C@@H](C)CCCCC[C@@H](C)O CNP0340083.1 [1,1,0,0,0,0|0,0,0]=2 248 B11R0.111 CC[C@@H](C)CCCCC[C@H](C)O CNP0340083.2 [1,1,0,0,0,0|0,0,0]=2 249 B11R0.111 CC[C@H](C)CCCCC[C@H](C)O CNP0340083.3 [1,1,0,0,0,0|0,0,0]=2 250 B11R0.111 CC[C@H](O)CCCCCC(=O)O CNP0179017.1 [1,1,0,0,0,0|1,0,1]=4 251 B11R0.147 CC(C)CCCC(C)CCCO CNP0568830.0 [1,1,0,0,0,0|2,0,0]=4 252 B11R0.147 CCCC[C@H](O)CCCC(=O)O CNP0238089.1 [1,1,0,0,0,0|1,0,1]=4 253 B11R0.176 CCOC(=O)CCCC[C@H](C)O CNP0017820.1 [1,1,0,0,0,0|1,0,1]=4 254 B11R0.3 C#CCCCCCCCCCC CNP0087459.0 [1,1,0,0,0,0|0,0,1]=3 255 B11R0.3 C#CCCCCCCCCCO CNP0539400.0 [1,1,0,0,0,0|0,0,1]=3 256 B11R0.3 C=CCCCCCCCCCBr CNP0269281.0 [1,1,0,0,0,0|0,0,2]=4 257 B11R0.3 C=CCCCCCCCCCC CNP0173522.0 [1,1,0,0,0,0|0,0,1]=3 258 B11R0.3 C=CCCCCCCCCCO CNP0216447.0 [1,1,0,0,0,0|0,0,1]=3 259 B11R0.3 CC=CCCCCCCCCC CNP0084835.0 [1,1,0,0,0,0|0,0,1]=3 260 B11R0.3 CC=CCCCCCCCCO CNP0112250.0 [1,1,0,0,0,0|0,0,1]=3 261 B11R0.3 CCC=CCCCCCCCC CNP0223387.0 [1,1,0,0,0,0|0,0,1]=3 262 B11R0.3 CCCC=CCCCCCCO CNP0282171.0 [1,1,0,0,0,0|0,0,1]=3 263 B11R0.3 CCCCCC=CCCCCC CNP0563337.0 [1,1,0,0,0,0|0,0,1]=3 264 B11R0.3 CCCCCCCCC=CCO CNP0086126.0 [1,1,0,0,0,0|0,0,1]=3 265 B11R0.3 CCCCCCCCCC=CBr CNP0424110.0 [1,1,0,0,0,0|0,0,2]=4 266 B11R0.3 CCCCCCCCCCC=O CNP0235249.0 [1,1,0,0,0,0|0,0,1]=3 267 B11R0.3 CCCCCCCCCCCC CNP0299960.0 [1,1,0,0,0,0|0,0,0]=2 268 B11R0.3 CCCCCCCCCCCO CNP0115710.0 [1,1,0,0,0,0|0,0,0]=2 269 B11R0.3 CCCCCCCCCCNC CNP0142745.0 [1,1,0,0,0,0|0,0,0]=2 270 B11R0.3 CCCCCCCCCCON CNP0565549.0 [1,1,0,0,0,0|0,0,0]=2 271 B11R0.3 CCCCCCCCOCCO CNP0598116.0 [1,1,0,0,0,0|0,0,0]=2 272 B11R0.3 CCCCCSSCCCCC CNP0314925.0 [1,1,0,0,0,0|1,0,0]=3 273 B11R0.3 CCCCOCCOCCCC CNP0542178.0 [1,1,0,0,0,0|1,0,0]=3 274 B11R0.3 CSCCCCCCCC=NO CNP0085413.0 [1,1,0,0,0,0|1,0,1]=4 275 B11R0.3 CSCCCCCCCCC#N CNP0286392.0 [1,1,0,0,0,0|1,0,1]=4 276 B11R0.3 OCCCCCCCCCCO CNP0483673.0 [1,1,0,0,0,0|0,0,0]=2 277 B11R0.3 OCCCCCCCCNCO CNP0481493.0 [1,1,0,0,0,0|1,0,0]=3 278 B11R0.3 [CH2]CCCCCCCCCCC CNP0562200.0 [1,1,0,0,0,0|0,0,0]=2 279 B11R0.4 C=CCCCCCC(C)CCC CNP0085749.0 [1,1,0,0,0,0|0,0,2]=4 280 B11R0.4 CC=CC(O)CCCCCCC CNP0485285.0 [1,1,0,0,0,0|0,0,2]=4 281 B11R0.4 CCCCCC=CC(C)CCO CNP0003544.0 [1,1,0,0,0,0|0,0,2]=4 282 B11R0.4 CCCCCCC=C(C)CCO CNP0138583.0 [1,1,0,0,0,0|0,0,2]=4 283 B11R0.4 CCCCCCCC(=O)CCC CNP0224296.0 [1,1,0,0,0,0|0,0,1]=3 284 B11R0.4 CCCCCCCC(=O)OCC CNP0311189.0 [1,1,0,0,0,0|1,0,1]=4 285 B11R0.4 CCCCCCCC(C)CCC CNP0333661.0 [1,1,0,0,0,0|0,0,0]=2 286 B11R0.4 CCCCCCC[C@@H](O)CCC CNP0081402.1 [1,1,0,0,0,0|0,0,0]=2 287 B11R0.4 CCCCCCOC(=O)CCC CNP0153531.0 [1,1,0,0,0,0|1,0,1]=4 288 B11R0.4 CCCCCCO[C@H](C)OCC CNP0259643.1 [1,1,0,0,0,0|2,0,0]=4 289 B11R0.81 C=C(CCCC)OCCCCC CNP0385438.0 [1,1,0,0,0,0|1,0,1]=4 290 B11R0.81 C=CCCCCC(C)CCCC CNP0518967.0 [1,1,0,0,0,0|0,0,2]=4 291 B11R0.81 CC=CCC(C)CCCCCC CNP0482426.0 [1,1,0,0,0,0|0,0,2]=4 292 B11R0.81 CCCCCCC(=O)OCCC CNP0320924.0 [1,1,0,0,0,0|1,0,1]=4 293 B11R0.81 CCCCCCC(C)CCCC CNP0536101.0 [1,1,0,0,0,0|0,0,0]=2 294 B11R0.81 CCCCCOC(=O)CCCC CNP0079884.0 [1,1,0,0,0,0|1,0,1]=4 295 B11R0.140 CCC=CCC(C)CCCCC CNP0529708.0 [1,1,0,0,0,0|0,0,2]=4 296 B11R0.140 CCCCCC(=O)CCCCC CNP0003552.0 [1,1,0,0,0,0|0,0,1]=3 297 B11R0.140 CCCCCC(=O)OCCCC CNP0132269.0 [1,1,0,0,0,0|1,0,1]=4 298 B11R0.140 CCCCCC(O)CCCCC CNP0194239.0 [1,1,0,0,0,0|0,0,0]=2 299 B11R0.140 CCCCOC(C)OCCCC CNP0262484.0 [1,1,0,0,0,0|2,0,0]=4 300 B13R0.274 CCCCCCC[C@@H](O)CC(=O)SC CNP0526799.1 [0,2,0,0,0,0|0,0,2]=4 301 B13R0.274 CCCCCCC[C@H](O)CC(=O)OC CNP0172127.1 [0,2,0,0,0,0|0,0,2]=4 302 B13R0.333 CCCCC[C@@H](O)C[C@@H](O)CC(=O)O CNP0387353.1 [0,2,0,0,0,0|1,0,1]=4 303 B13R0.333 CCCCC[C@@H](O)C[C@H](O)CC(=O)O CNP0387353.3 [0,2,0,0,0,0|1,0,1]=4 304 B13R0.333 CCCCC[C@H](O)C[C@@H](O)CC(=O)O CNP0387353.2 [0,2,0,0,0,0|1,0,1]=4 305 B13R0.333 CCCCC[C@H](O)C[C@H](O)CC(=O)O CNP0387353.4 [0,2,0,0,0,0|1,0,1]=4 306 B13R0.335 CCCCCCCCC(=O)OC(C)C CNP0003082.0 [0,2,0,0,0,0|1,0,1]=4 307 B13R0.335 CCCCCCCC[C@H](C)CC(C)C CNP0331374.1 [0,2,0,0,0,0|1,0,0]=3 308 B13R0.335 CCCCCCCC[C@H](O)CC(=O)O CNP0274681.1 [0,2,0,0,0,0|1,0,1]=4 309 B13R0.335 CCCCCCCOC(=O)CC(C)C CNP0076121.0 [0,2,0,0,0,0|1,0,1]=4 310 B13R0.335 O=C(O)C[C@@H](O)CCCCCCCO CNP0393547.2 [0,2,0,0,0,0|1,0,1]=4 311 B13R0.335 O=C(O)C[C@H](O)CCCCCCCO CNP0393547.1 [0,2,0,0,0,0|1,0,1]=4 312 B13R0.117 CCCC[C@H](C)CCC[C@@H](C)C(=O)O CNP0329412.1 [0,2,0,0,0,0|1,0,1]=4 313 B13R0.182 CC(C)CCCC[C@H](C)CCC(=O)O CNP0425887.1 [0,2,0,0,0,0|1,0,1]=4 314 B13R0.188 CCCCCC(=O)CCCCC(=O)O CNP0330201.0 [0,2,0,0,0,0|1,0,1]=4 315 B13R0.188 CCCCCC(=O)OCCCC(C)C CNP0259137.0 [0,2,0,0,0,0|1,0,1]=4 316 B13R0.280 CCCCCCCCCCP(=O)(C)C CNP0504286.0 [0,2,0,0,0,0|1,0,1]=4 317 B13R0.280 CCCCCCCCCCS(=O)(=O)O CNP0529919.0 [0,2,0,0,0,0|2,0,0]=4 318 B13R0.280 CCCCCCCCCC[N+](C)(C)[O-] CNP0478268.0 [0,2,0,0,0,0|1,0,1]=4 319 B13R0.280 CCCCCCCCCNS(=O)(=O)O CNP0476345.0 [0,2,0,0,0,0|2,0,0]=4 320 B13R0.280 CCCCCCCCCOS(=O)(=O)O CNP0359482.0 [0,2,0,0,0,0|2,0,0]=4 321 B13R0.280 CS(=O)(=O)CCCCCCCCCN CNP0257637.0 [0,2,0,0,0,0|1,0,1]=4 322 B13R0.280 [2H]C([2H])(C)CCCCCCCCCO CNP0480076.0 [0,2,0,0,0,0|1,0,0]=3 323 B13R0.1215 C#CC(C)(O)CCCCCCCCC CNP0600953.0 [0,2,0,0,0,0|0,0,0]=2 324 B13R0.1215 CCCCCCCCCC(C)(C)CO CNP0350488.0 [0,2,0,0,0,0|0,0,0]=2 325 B13R0.88 CCCC(=O)CCCCCCC(C)C CNP0307359.0 [0,2,0,0,0,0|1,0,0]=3 326 B13R0.88 CCOC(=O)CCCCCC[C@@H](C)O CNP0112958.1 [0,2,0,0,0,0|0,0,1]=3 327 B13R0.180 CC(=O)NCCCCC[C@H](C)[C@H](C)O CNP0436552.1 [0,2,0,0,0,0|1,0,1]=4 328 B13R0.204 CC[C@H](C)CCCCC[C@@H](C)C(=O)O CNP0108831.1 [0,2,0,0,0,0|1,0,1]=4 329 B13R0.208 CCC(C)CCCC(C)CCC(=O)O CNP0018012.0 [0,2,0,0,0,0|1,0,1]=4 330 B13R0.1 CCCCCCC(=O)OCCC(C)C CNP0437214.0 [0,2,0,0,0,0|1,0,1]=4 331 B13R0.1 CCCCCCC(O)CCOC(=O)C CNP0003220.0 [0,2,0,0,0,0|0,0,2]=4 332 B13R0.1 CCCCCC[C@H](O)CCCC(=O)O CNP0412858.1 [0,2,0,0,0,0|1,0,1]=4 333 B13R0.1398 C=C(CCCC(C)C)CCCC(C)C CNP0609168.0 [0,2,0,0,0,0|1,0,1]=4 334 B13R0.1398 CC(=O)CCC[C@@H](C)CCCC(C)C CNP0341880.2 [0,2,0,0,0,0|0,0,2]=4 335 B13R0.1398 CC(=O)CCC[C@H](C)CCCC(C)C CNP0341880.1 [0,2,0,0,0,0|0,0,2]=4 336 B13R0.1398 CC(C)CCCC(C)CCCC(C)C CNP0231797.0 [0,2,0,0,0,0|1,0,0]=3 337 B13R0.1398 CC(C)CCCC(C)CCCC(C)O CNP0612221.0 [0,2,0,0,0,0|0,0,0]=2 338 B13R0.54 C=C(C)CCCCCCCCCCC CNP0076867.0 [0,2,0,0,0,0|1,0,1]=4 339 B13R0.54 C=CCCCCCCCCCC(=O)C CNP0306240.0 [0,2,0,0,0,0|0,0,2]=4 340 B13R0.54 C=CCCCCCCCCCC(=O)O CNP0172494.0 [0,2,0,0,0,0|1,0,1]=4 341 B13R0.54 CC(C)CCCCCCCCCCO CNP0498996.0 [0,2,0,0,0,0|1,0,0]=3 342 B13R0.54 CC/C=C/CCCCCCC[C@H](C)O CNP0191015.1 [0,2,0,0,0,0|0,0,0]=2 343 B13R0.54 CCC=CCCCCCCCC(=O)O CNP0316183.0 [0,2,0,0,0,0|1,0,1]=4 344 B13R0.54 CCCC=CCCCCCCC(=O)O CNP0213131.0 [0,2,0,0,0,0|1,0,1]=4 345 B13R0.54 CCCCC=CCCCCCC(=O)O CNP0155826.0 [0,2,0,0,0,0|1,0,1]=4 346 B13R0.54 CCCCCC=CCCCCC(=O)C CNP0213133.0 [0,2,0,0,0,0|0,0,2]=4 347 B13R0.54 CCCCCC=CCCCCC(=O)O CNP0611346.0 [0,2,0,0,0,0|1,0,1]=4 348 B13R0.54 CCCCCCC=CCCCC(=O)O CNP0163257.0 [0,2,0,0,0,0|1,0,1]=4 349 B13R0.54 CCCCCCCC=CCCC(=O)O CNP0181626.0 [0,2,0,0,0,0|1,0,1]=4 350 B13R0.54 CCCCCCCCC=CCC(=O)O CNP0579851.0 [0,2,0,0,0,0|1,0,1]=4 351 B13R0.54 CCCCCCCCCC=CC(=O)C CNP0265083.0 [0,2,0,0,0,0|0,0,2]=4 352 B13R0.54 CCCCCCCCCC=CC(=O)O CNP0126369.0 [0,2,0,0,0,0|1,0,1]=4 353 B13R0.54 CCCCCCCCCCCC(=O)C CNP0221288.0 [0,2,0,0,0,0|0,0,2]=4 354 B13R0.54 CCCCCCCCCCCC(=O)O CNP0303017.0 [0,2,0,0,0,0|1,0,1]=4 355 B13R0.54 CCCCCCCCCCCC(C)C CNP0149200.0 [0,2,0,0,0,0|1,0,0]=3 356 B13R0.54 CCCCCCCCCCC[C@@H](C)O CNP0149423.2 [0,2,0,0,0,0|0,0,0]=2 357 B13R0.54 CCCCCCCCCCC[C@H](C)O CNP0149423.1 [0,2,0,0,0,0|0,0,0]=2 358 B13R0.54 CCCCCCCCCCOC(=O)C CNP0190607.0 [0,2,0,0,0,0|0,0,2]=4 359 B13R0.54 CCCCCCCCSCCC(=O)O CNP0574442.0 [0,2,0,0,0,0|1,0,1]=4 360 B13R0.54 O=C(O)CCCCCCCCCCBr CNP0033746.0 [0,2,0,0,0,0|1,0,1]=4 361 B13R0.54 O=C(O)CCCCCCCCCCS CNP0586086.0 [0,2,0,0,0,0|1,0,1]=4 362 B13R0.54 O=CCCCCCCCCCC(=O)O CNP0102682.0 [0,2,0,0,0,0|1,0,1]=4 363 B13R0.147 CCCCCCCCCC=C(C)C=O CNP0146034.0 [0,2,0,0,0,0|0,0,2]=4 364 B13R0.147 CCCCCCCCCC=C(Cl)CO CNP0255372.0 [0,2,0,0,0,0|1,0,1]=4 365 B13R0.147 CCCCCCCCCCC(=O)CC CNP0487301.0 [0,2,0,0,0,0|0,0,2]=4 366 B13R0.147 CCCCCCCCCCC(=O)OC CNP0117266.0 [0,2,0,0,0,0|0,0,2]=4 367 B13R0.147 CCCCCCCCCC[C@@H](C)CC CNP0232099.1 [0,2,0,0,0,0|1,0,0]=3 368 B13R0.147 CCCCCCCCCOC(=O)CC CNP0113142.0 [0,2,0,0,0,0|0,0,2]=4 369 B13R0.147 CCCCCCOCCCC(C)CC CNP0611371.0 [0,2,0,0,0,0|1,0,0]=3 370 B13R0.147 CC[C@@H](C)CCCCCCCCCO CNP0238947.2 [0,2,0,0,0,0|1,0,0]=3 371 B13R0.147 CC[C@H](C)CCCCCCCCCO CNP0238947.1 [0,2,0,0,0,0|1,0,0]=3 372 B13R0.147 CSCCCCCCCCC(=NO)S CNP0083848.0 [0,2,0,0,0,0|1,0,1]=4 373 B13R0.147 CSCCCCCCCCC(=S)NO CNP0512497.0 [0,2,0,0,0,0|1,0,1]=4 374 B13R0.150 C=CCCCCCCC[C@@H](O)[C@H](C)N CNP0160202.1 [0,2,0,0,0,0|0,0,2]=4 375 B13R0.150 CCC/C=C\CCCC[C@H](O)[C@@H](C)N CNP0225173.1 [0,2,0,0,0,0|0,0,2]=4 376 B13R0.150 CCCCCCCCCC(=O)N(C)C CNP0080141.0 [0,2,0,0,0,0|0,0,2]=4 377 B13R0.150 CCCCCCCCCC(C)C(=O)C CNP0524122.0 [0,2,0,0,0,0|0,0,1]=3 378 B13R0.150 CCCCCCCCCC(C)C(=O)O CNP0555166.0 [0,2,0,0,0,0|0,0,0]=2 379 B13R0.150 CCCCCCCCC[C@@H](O)C(=O)O CNP0290300.1 [0,2,0,0,0,0|0,0,1]=3 380 B13R0.150 CCCCCCCCC[C@@H](O)[C@H](C)N CNP0142474.1 [0,2,0,0,0,0|0,0,0]=2 381 B13R0.150 CCCCCCCCC[C@H](O)[C@@H](C)N CNP0142474.2 [0,2,0,0,0,0|0,0,0]=2 382 B13R0.150 CCCCCCCCOC(=O)C(C)C CNP0205183.0 [0,2,0,0,0,0|1,0,1]=4 383 B13R0.150 CSCCCCCCC[C@@H](N)C(=O)O CNP0214447.1 [0,2,0,0,0,0|1,0,1]=4 384 B13R0.154 CCCCCCCC(=O)CCC(=O)O CNP0244204.0 [0,2,0,0,0,0|1,0,1]=4 385 B13R0.154 CCCCCCCC(=O)CCC(C)C CNP0130630.0 [0,2,0,0,0,0|1,0,0]=3 386 B13R0.154 CCCCCCCC(=O)NCC(C)C CNP0186500.0 [0,2,0,0,0,0|1,0,1]=4 387 B13R0.154 CCCCCCCC(=O)OCC(C)C CNP0261110.0 [0,2,0,0,0,0|1,0,1]=4 388 B13R0.154 CCCCCCOC(=O)CCC(C)C CNP0145686.0 [0,2,0,0,0,0|1,0,1]=4 389 B13R0.179 CC(=O)CC/C=C/CCCC[C@H](C)O CNP0229571.1 [0,2,0,0,0,0|0,0,2]=4 390 B13R0.179 CC(=O)CCCCCCCCC(C)C CNP0219481.0 [0,2,0,0,0,0|1,0,0]=3 391 B13R0.179 CC(C)CCCCCCCCC(=O)O CNP0279215.0 [0,2,0,0,0,0|1,0,1]=4 392 B13R0.179 C[C@@H](N)CCCCCCCCC(=O)O CNP0158471.1 [0,2,0,0,0,0|1,0,1]=4 393 B13R0.179 C[C@H](N)CCCCCCCCC(=O)O CNP0158471.2 [0,2,0,0,0,0|1,0,1]=4 394 B13R0.179 C[S+]([O-])CCCCCCCCC(=O)O CNP0485117.0 [0,2,0,0,0,0|1,0,1]=4 395 B13R0.202 CC[C@@H](C)CCCCCCCC(=O)O CNP0464683.1 [0,2,0,0,0,0|1,0,1]=4 396 B13R0.202 CC[C@H](C)CCCCCCCC(=O)O CNP0464683.2 [0,2,0,0,0,0|1,0,1]=4 397 B13R0.2 C=COC(=O)CCCCCCCCC CNP0137792.0 [0,2,0,0,0,0|1,0,1]=4 398 B13R0.2 CCCCCCCCCC(=O)CC=O CNP0246850.0 [0,2,0,0,0,0|0,0,2]=4 399 B13R0.2 CCCCCCCCCC(=O)CCC CNP0343183.0 [0,2,0,0,0,0|0,0,2]=4 400 B13R0.2 CCCCCCCCCC(=O)OCC CNP0245893.0 [0,2,0,0,0,0|0,0,2]=4 401 B13R0.2 CCCCCCCCCC(C)CCC CNP0097879.0 [0,2,0,0,0,0|1,0,0]=3 402 B13R0.2 CCCCCCOCCC(C)CCC CNP0085746.0 [0,2,0,0,0,0|2,0,0]=4 403 B13R0.340 CCCCCCCC[C@@H](C)C(=O)OC CNP0315114.1 [0,2,0,0,0,0|0,0,2]=4 404 B13R0.412 CCCCCCCCCC(OC)OC CNP0017635.0 [0,2,0,0,0,0|0,0,0]=2 405 B13R0.284 CCCCCCC(C)CC(C)C(=O)C CNP0345073.0 [0,2,0,0,0,0|0,0,2]=4 406 B11R1.24 CCCCC1CCCC(=O)O1 CNP0003367.0 [1,0,0,1,0,0|1,0,1]=4 407 B11R1.27 CCCCCC1OCC(O1)C CNP0002828.0 [1,0,0,1,0,0|1,0,0]=3 408 B11R1.27 CCCCC[C@@H]1CCC(=O)O1 CNP0388431.2 [1,0,0,1,0,0|1,0,1]=4 409 B11R1.27 CCCCC[C@H]1CCC(=O)O1 CNP0388431.1 [1,0,0,1,0,0|1,0,1]=4 410 B11R1.27 CCCCC[C@H]1CC[C@H](O1)O CNP0114979.1 [1,0,0,1,0,0|1,0,0]=3 411 B11R1.46 CCCCCCCC1CC1C CNP0575710.0 [1,0,0,1,0,0|1,0,0]=3 412 B11R1.86 C[C@H](O)C[C@@H]1CCCCN1C CNP0332204.2 [1,0,0,1,0,0|1,0,0]=3 413 B11R1.86 C[C@H](O)C[C@H]1CCCCN1C CNP0332204.1 [1,0,0,1,0,0|1,0,0]=3 414 B11R1.91 O=C(O)CCC1CCCCC1 CNP0591909.0 [1,0,0,1,0,0|1,0,1]=4 415 B11R1.99 CCCCCCCCC1CC1 CNP0611993.0 [1,0,0,1,0,0|1,0,0]=3 416 B11R1.101 CC1CCCCCCCCC1 CNP0242949.0 [1,0,0,1,0,0|1,0,0]=3 417 B11R1.101 C[C@@H]1CCCCCCCNC1 CNP0435621.1 [1,0,0,1,0,0|2,0,0]=4 418 B11R1.101 OC1CCCCCCCCC1 CNP0610074.0 [1,0,0,1,0,0|0,0,0]=2 419 B11R1.101 O[C@H]1CCCCCNCCC1 CNP0451245.1 [1,0,0,1,0,0|1,0,0]=3 420 B11R1.191 CCC[C@@H]1CCCC[N+]1(C)C CNP0422167.1 [1,0,0,1,0,0|2,0,0]=4 421 B11R1.191 CCC[C@H]1CCCC[N+]1(C)C CNP0422167.2 [1,0,0,1,0,0|2,0,0]=4 422 B11R1.742 CC(O)CN1CCCCCC1 CNP0514501.0 [1,0,0,1,0,0|1,0,0]=3 423 B11R1.753 CCCCC[C@@H]1C[C@@H]1C(=O)O CNP0175221.1 [1,0,0,1,0,0|1,0,1]=4 424 B11R1.4 CCCCCCC1CCCC1 CNP0324091.0 [1,0,0,1,0,0|0,0,0]=2 425 B11R1.18 CCCCC1CCCC1CC CNP0603151.0 [1,0,0,1,0,0|0,0,0]=2 426 B11R1.28 CCCCCC1=CCCCC1 CNP0080596.0 [1,0,0,1,0,0|0,0,2]=4 427 B11R1.28 CCCCCC1=NCCCC1 CNP0532846.0 [1,0,0,1,0,0|1,0,1]=4 428 B11R1.28 CCCCCC1CCCCC1 CNP0356632.0 [1,0,0,1,0,0|0,0,0]=2 429 B11R1.28 CCCCCC1CCCCN1 CNP0582623.0 [1,0,0,1,0,0|1,0,0]=3 430 B11R1.41 CCCC1CCCCC1CC CNP0083068.0 [1,0,0,1,0,0|0,0,0]=2 431 B11R1.92 C1CCCCCCCCCC1 CNP0508104.0 [1,0,0,1,0,0|0,0,0]=2 432 B11R1.180 CCCCCC1CCCC1=O CNP0487255.0 [1,0,0,1,0,0|0,0,2]=4 433 B11R1.203 CCCCC1=NCCCCC1 CNP0427788.0 [1,0,0,1,0,0|1,0,1]=4 434 B13R1.27 CCCCCCC[C@@H]1CCC(=O)O1 CNP0201617.2 [0,1,0,1,0,0|1,0,1]=4 435 B13R1.27 CCCCCCC[C@H]1CCC(=O)O1 CNP0201617.1 [0,1,0,1,0,0|1,0,1]=4 436 B13R1.55 CCCCC[C@@H]1C[C@@H](CC(=O)O1)O CNP0218581.3 [0,1,0,1,0,0|1,0,1]=4 437 B13R1.55 CCCCC[C@@H]1C[C@H](CC(=O)O1)O CNP0218581.4 [0,1,0,1,0,0|1,0,1]=4 438 B13R1.55 CCCCC[C@H]1C[C@@H](CC(=O)O1)O CNP0218581.1 [0,1,0,1,0,0|1,0,1]=4 439 B13R1.55 CCCCC[C@H]1C[C@H](CC(=O)O1)O CNP0218581.2 [0,1,0,1,0,0|1,0,1]=4 440 B13R1.190 CCCCCCC1OC(=O)CC1C CNP0251689.0 [0,1,0,1,0,0|1,0,1]=4 441 B13R1.775 C[C@@H]1CCCCC[C@@H](CC(=O)O1)O CNP0358124.2 [0,1,0,1,0,0|1,0,1]=4 442 B13R1.775 C[C@@H]1CCCCC[C@H](CC(=O)O1)O CNP0358124.1 [0,1,0,1,0,0|1,0,1]=4 443 B13R1.1882 CCCCCC[C@H]1C[C@@H]1CC(=O)O CNP0327293.2 [0,1,0,1,0,0|1,0,1]=4 444 B13R1.1882 CCCCCC[C@H]1C[C@H]1CC(=O)O CNP0327293.1 [0,1,0,1,0,0|1,0,1]=4 445 B13R1.2433 CCCCCCC[C@@H]1C[C@@H]1C(=O)O CNP0256007.1 [0,1,0,1,0,0|1,0,1]=4 446 B13R1.2433 CCCCCCC[C@@H]1C[C@H]1C(=O)O CNP0256007.3 [0,1,0,1,0,0|1,0,1]=4 447 B13R1.2433 CCCCCCC[C@H]1C[C@@H]1C(=O)O CNP0256007.2 [0,1,0,1,0,0|1,0,1]=4 448 B13R1.2433 CCCCCCC[C@H]1C[C@H]1C(=O)O CNP0256007.4 [0,1,0,1,0,0|1,0,1]=4 449 B13R1.128 CC(C)CCCCC1CCC(=O)O1 CNP0213089.0 [0,1,0,1,0,0|1,0,1]=4 450 B13R1.337 O=C(O)CCCCC1CCCCC1 CNP0301405.0 [0,1,0,1,0,0|1,0,1]=4 451 B13R1.8394 CC1CCCCC(OC(=O)CC1)C CNP0123638.0 [0,1,0,1,0,0|1,0,1]=4 452 B13R1.3071 CCCCCC1=NC(CC[Se]1)(C)O CNP0536968.0 [0,1,0,1,0,0|1,0,1]=4 453 B13R1.3441 CCCCCCC1CCC(C1)(C)C CNP0611434.0 [0,1,0,1,0,0|1,0,0]=3 454 B13R1.3821 CC1CCCCCCC(=O)OC1C CNP0207162.0 [0,1,0,1,0,0|1,0,1]=4 455 B13R1.23 CCCCC[C@@H](O)[C@@H]1CCC(=O)O1 CNP0381718.2 [0,1,0,1,0,0|1,0,1]=4 456 B13R1.23 CCCCC[C@@H](O)[C@H]1CCC(=O)O1 CNP0381718.3 [0,1,0,1,0,0|1,0,1]=4 457 B13R1.23 CCCCC[C@H](O)[C@@H]1CCC(=O)O1 CNP0381718.1 [0,1,0,1,0,0|1,0,1]=4 458 B13R1.23 CCCCC[C@H](O)[C@H]1CCC(=O)O1 CNP0381718.4 [0,1,0,1,0,0|1,0,1]=4 459 B13R1.1620 CCCCC1C(CCCC1(C)C)C CNP0612002.0 [0,1,0,1,0,0|1,0,0]=3 460 B13R1.6 CCCCCCC1CCCC(=O)O1 CNP0280779.0 [0,1,0,1,0,0|1,0,1]=4 461 B13R1.6 CCCCCCC1COCC(=O)O1 CNP0002639.0 [0,1,0,1,0,0|1,0,1]=4 462 B13R1.279 O=C1CCCCCCCCCCC1 CNP0294882.0 [0,1,0,1,0,0|0,0,2]=4 463 B13R1.279 O=C1CCCCCCCCCCO1 CNP0348572.0 [0,1,0,1,0,0|0,0,2]=4 464 B13R1.279 OC1CCCCCCCCCCC1 CNP0367434.0 [0,1,0,1,0,0|0,0,0]=2 465 B13R1.559 CCCCCC/C=C\C[C@@H]1C[C@H]1O CNP0071918.1 [0,1,0,1,0,0|0,0,1]=3 466 B13R1.1052 O=C(O)CCCCCCCC1CO1 CNP0582763.0 [0,1,0,1,0,0|1,0,1]=4 467 B13R1.9 CCCCCCC1OCC(CO1)O CNP0421041.0 [0,1,0,1,0,0|1,0,0]=3 468 B13R1.91 CC[C@H](C)C[C@@H]1CCCCN1CC CNP0323159.1 [0,1,0,1,0,0|2,0,0]=4 469 B13R1.189 CCCCCCC1OCC(O1)CO CNP0061019.0 [0,1,0,1,0,0|1,0,0]=3 470 B13R1.3688 CCCCCCC1(CCC(=O)O1)C CNP0002940.0 [0,1,0,1,0,0|1,0,1]=4 471 B13R2.13 C[C@@H]1CCOC(O1)C2CCCC2 CNP0398066.1 [0,0,0,2,0,0|1,0,0]=3 472 B13R2.5179 C[C@@H]1CC[C@@H]2[C@H](C1)CCC[C@H]2C CNP0269172.1 [0,0,0,2,0,0|1,0,0]=3 473 B13R2.11128 C[C@@H]1CCC[C@]2(O1)CCCCO2 CNP0289105.1 [0,0,0,2,0,0|1,0,0]=3 474 B13R2.328 C[C@@H]1C[C@@H](C2CCCCC2N1)O CNP0331852.1 [0,0,0,2,0,0|1,0,0]=3 475 B13R2.328 C[C@@H]1C[C@@H]([C@@H]2CCCC[C@@H]2N1)O CNP0331852.5 [0,0,0,2,0,0|1,0,0]=3 476 B13R2.328 C[C@@H]1C[C@@H]([C@@H]2CCCC[C@H]2N1)O CNP0331852.2 [0,0,0,2,0,0|1,0,0]=3 477 B13R2.328 C[C@@H]1C[C@@H]([C@H]2CCCC[C@@H]2N1)O CNP0331852.3 [0,0,0,2,0,0|1,0,0]=3 478 B13R2.328 C[C@@H]1C[C@@H]([C@H]2CCCC[C@H]2N1)O CNP0331852.4 [0,0,0,2,0,0|1,0,0]=3 479 B13R2.328 C[C@H]1C[C@@H]2CCCCN2[C@H](C1)C CNP0399639.1 [0,0,0,2,0,0|2,0,0]=4 480 B13R2.12752 CC1CC2CCCCC(C1)N2C CNP0345644.0 [0,0,0,2,0,0|2,0,0]=4 481 B13R2.220 CC1(CCCC12CCCCC2)C CNP0611442.0 [0,0,0,2,0,0|1,0,0]=3 482 B13R2.3633 C[C@]1(CCCCC12CCCC2)O CNP0228162.1 [0,0,0,2,0,0|0,0,0]=2 483 B13R2.4143 CC1(C2CCC(C1C2)CCO)C CNP0612172.0 [0,0,0,2,0,0|2,0,0]=4