0 B7R0.7 C=C(CCC)CCC CNP0515689.0 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.7 C=C(OCC)OCC CNP0510072.0 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.7 C=CCC(=CCC)C CNP0076324.0 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.7 C=CCC(=O)OCC CNP0305215.0 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.7 C=CCS(=O)OCC CNP0003495.0 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.7 CC=CC(=O)CCC CNP0003369.0 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.7 CC=CC(=O)OCC CNP0251499.0 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.7 CC=CC(C)CCC CNP0084706.0 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.7 CC=CC(O)CCC CNP0324750.0 [0,0,0,0,0,0|1,0,3]=4 9 B7R0.7 CCC=C(C)CCC CNP0345457.0 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.7 CCCC(=O)CCC CNP0310318.0 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.7 CCCC(=O)OCC CNP0232050.0 [0,0,0,0,0,0|0,0,0]=0 12 B7R0.7 CCCC(=S)OCC CNP0612025.0 [0,0,0,0,0,0|0,1,0]=1 13 B7R0.7 CCCC(C)CCC CNP0137963.0 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.7 CCCC(O)CCC CNP0407378.0 [0,0,0,0,0,0|1,0,2]=3 15 B7R0.7 CCC[C@@H](C)CCO CNP0076379.1 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.7 CCC[C@@H](C)SCC CNP0322285.1 [0,0,0,0,0,0|1,1,1]=3 17 B7R0.7 CCC[C@@H](S)CCO CNP0156811.1 [0,0,0,0,0,0|2,1,1]=4 18 B7R0.7 CCC[C@H](C)CCO CNP0076379.2 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.7 CCC[C@H](C)OCC CNP0076637.1 [0,0,0,0,0,0|1,0,1]=2 20 B7R0.7 CCC[C@H](S)CCO CNP0156811.2 [0,0,0,0,0,0|2,1,1]=4 21 B7R0.7 CCOC(=O)C=CBr CNP0103315.0 [0,0,0,0,0,0|1,0,2]=3 22 B7R0.7 CCOC(=O)C=CCl CNP0155772.0 [0,0,0,0,0,0|1,0,2]=3 23 B7R0.7 CCOC(=O)C=CI CNP0229422.0 [0,0,0,0,0,0|1,0,2]=3 24 B7R0.7 CCOC(=O)CCS CNP0347470.0 [0,0,0,0,0,0|1,0,0]=1 25 B7R0.7 CCOC(=O)CNC CNP0575591.0 [0,0,0,0,0,0|1,0,0]=1 26 B7R0.7 CCOC(=O)CSC CNP0330528.0 [0,0,0,0,0,0|1,0,0]=1 27 B7R0.7 CCOC(=O)OCC CNP0167765.0 [0,0,0,0,0,0|1,0,0]=1 28 B7R0.7 CCOC(C)OCC CNP0177172.0 [0,0,0,0,0,0|2,0,1]=3 29 B7R0.7 CCOP(=O)OCC CNP0575132.0 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.7 CCSC(C)SCC CNP0610536.0 [0,0,0,0,0,0|2,1,1]=4 31 B7R0.7 CSCC(=O)C=NO CNP0090357.0 [0,0,0,0,0,0|4,0,0]=4 32 B6R0.1 C=C(CO)CCO CNP0082069.0 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.1 C=C([CH]CC)CC CNP0529223.0 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.1 C=CC(=O)CCC CNP0162905.0 [1,0,0,0,0,0|0,0,2]=3 35 B6R0.1 C=CC(=O)OCC CNP0197495.0 [1,0,0,0,0,0|0,0,2]=3 36 B6R0.1 C=CCC(=O)CC CNP0580605.0 [1,0,0,0,0,0|0,0,2]=3 37 B6R0.1 CC=C(C)CSC CNP0003230.0 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.1 CC=CC(=O)CC CNP0127812.0 [1,0,0,0,0,0|0,0,2]=3 39 B6R0.1 CC=CC(=O)OC CNP0003452.0 [1,0,0,0,0,0|0,0,2]=3 40 B6R0.1 CCC(=O)CSC CNP0170567.0 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.1 CCC(Br)CCBr CNP0612222.0 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.1 CCC=C(C)CO CNP0511576.0 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.1 CCCC(=NO)C CNP0211014.0 [1,0,0,0,0,0|3,0,0]=4 44 B6R0.1 CCCC(=O)C#N CNP0204240.0 [1,0,0,0,0,0|1,0,1]=3 45 B6R0.1 CCCC(=O)C=O CNP0111121.0 [1,0,0,0,0,0|1,0,1]=3 46 B6R0.1 CCCC(=O)CC CNP0248158.0 [1,0,0,0,0,0|0,0,0]=1 47 B6R0.1 CCCC(=O)CO CNP0084314.0 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.1 CCCC(=O)OC CNP0159910.0 [1,0,0,0,0,0|0,0,0]=1 49 B6R0.1 CCCC(=O)SC CNP0084452.0 [1,0,0,0,0,0|0,1,0]=2 50 B6R0.1 CCC[C@@H](C)CC CNP0407855.1 [1,0,0,0,0,0|1,0,1]=3 51 B6R0.1 CCC[C@@H](C)CO CNP0356704.1 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.1 CCC[C@@H](C)SC CNP0188673.1 [1,0,0,0,0,0|1,1,1]=4 53 B6R0.1 CCC[C@@H](O)CC CNP0346810.2 [1,0,0,0,0,0|0,0,2]=3 54 B6R0.1 CCC[C@H](C)CC CNP0407855.2 [1,0,0,0,0,0|1,0,1]=3 55 B6R0.1 CCC[C@H](C)CO CNP0356704.2 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.1 CCC[C@H](C)NC CNP0298650.1 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.1 CCC[C@H](O)CC CNP0346810.1 [1,0,0,0,0,0|0,0,2]=3 58 B6R0.1 CCC[S+]([O-])SC CNP0596263.0 [1,0,0,0,0,0|1,1,1]=4 59 B6R0.1 CCNC(=O)CC CNP0586892.0 [1,0,0,0,0,0|1,0,0]=2 60 B6R0.1 CCNC(=O)OC CNP0585352.0 [1,0,0,0,0,0|1,0,0]=2 61 B6R0.1 CCOC(=O)C=O CNP0218484.0 [1,0,0,0,0,0|1,0,1]=3 62 B6R0.1 CCOC(=O)CC CNP0169171.0 [1,0,0,0,0,0|0,0,0]=1 63 B6R0.1 CCOC(=O)CI CNP0158474.0 [1,0,0,0,0,0|1,0,0]=2 64 B6R0.1 CCOC(=O)NC CNP0565390.0 [1,0,0,0,0,0|1,0,0]=2 65 B6R0.1 CCOC(C)CC CNP0086282.0 [1,0,0,0,0,0|1,0,1]=3 66 B6R0.1 CCOC(C)OC CNP0612171.0 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.1 CCSC(=O)CC CNP0265303.0 [1,0,0,0,0,0|0,1,0]=2 68 B6R0.1 CCSC(S)CC CNP0488688.0 [1,0,0,0,0,0|0,2,1]=4 69 B6R0.1 CC[C@@H](C)CCO CNP0260863.2 [1,0,0,0,0,0|2,0,1]=4 70 B6R0.1 CC[C@H](C)CCO CNP0260863.1 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.1 CNCC(=O)OC CNP0311286.0 [1,0,0,0,0,0|1,0,0]=2 72 B6R0.1 COC(=O)C#CBr CNP0419364.0 [1,0,0,0,0,0|1,0,2]=4 73 B6R0.1 COC(=O)C=CBr CNP0321764.0 [1,0,0,0,0,0|1,0,2]=4 74 B6R0.1 COC(=O)C=CI CNP0190700.0 [1,0,0,0,0,0|1,0,2]=4 75 B6R0.1 COC(=O)C=NO CNP0235637.0 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.1 COC(=O)CC=O CNP0187576.0 [1,0,0,0,0,0|1,0,1]=3 77 B6R0.1 COC(=O)CSC CNP0189712.0 [1,0,0,0,0,0|1,0,0]=2 78 B6R0.1 COCC(=O)OC CNP0202591.0 [1,0,0,0,0,0|1,0,0]=2 79 B6R0.1 O=CC(=O)CCO CNP0294743.0 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.6 C=CC=CCCC CNP0526826.0 [1,0,0,0,0,0|1,0,2]=4 81 B6R0.6 C=COCCCC CNP0077236.0 [1,0,0,0,0,0|0,0,3]=4 82 B6R0.6 CC=CC=CCC CNP0608489.0 [1,0,0,0,0,0|1,0,2]=4 83 B6R0.6 CC=CCCCC CNP0158475.0 [1,0,0,0,0,0|1,0,2]=4 84 B6R0.6 CC=CSCCC CNP0320861.0 [1,0,0,0,0,0|2,0,1]=4 85 B6R0.6 CCC#CCCO CNP0170517.0 [1,0,0,0,0,0|2,0,1]=4 86 B6R0.6 CCC=C=CCC CNP0518397.0 [1,0,0,0,0,0|1,0,2]=4 87 B6R0.6 CCC=CCC#N CNP0106706.0 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.6 CCC=CCC=O CNP0227189.0 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.6 CCC=CCCC CNP0391454.0 [1,0,0,0,0,0|1,0,0]=2 90 B6R0.6 CCC=CCCO CNP0255718.0 [1,0,0,0,0,0|2,0,0]=3 91 B6R0.6 CCCC#CCO CNP0314465.0 [1,0,0,0,0,0|2,0,1]=4 92 B6R0.6 CCCC=CC=O CNP0263913.0 [1,0,0,0,0,0|2,0,1]=4 93 B6R0.6 CCCC=CCO CNP0254124.0 [1,0,0,0,0,0|2,0,0]=3 94 B6R0.6 CCCC=CNO CNP0162409.0 [1,0,0,0,0,0|3,0,0]=4 95 B6R0.6 CCCCCCC CNP0290800.0 [1,0,0,0,0,0|1,0,1]=3 96 B6R0.6 CCCCCCN CNP0213933.0 [1,0,0,0,0,0|2,0,1]=4 97 B6R0.6 CCCCCCO CNP0317600.0 [1,0,0,0,0,0|2,0,1]=4 98 B6R0.6 CCCCCCS CNP0167948.0 [1,0,0,0,0,0|2,0,1]=4 99 B6R0.6 CCCCCC[O-] CNP0579903.0 [1,0,0,0,0,0|2,0,1]=4 100 B6R0.6 CCCCCNC CNP0276164.0 [1,0,0,0,0,0|2,0,1]=4 101 B6R0.6 CCCCCOC CNP0358174.0 [1,0,0,0,0,0|2,0,1]=4 102 B6R0.6 CCCCCSC CNP0293012.0 [1,0,0,0,0,0|2,0,1]=4 103 B6R0.6 CCCCOC=O CNP0282325.0 [1,0,0,0,0,0|1,0,2]=4 104 B6R0.6 CCCCON=O CNP0003508.0 [1,0,0,0,0,0|2,0,1]=4 105 B6R0.6 CCCCSSC CNP0532819.0 [1,0,0,0,0,0|1,1,1]=4 106 B6R0.6 CCCNCCC CNP0129820.0 [1,0,0,0,0,0|2,0,0]=3 107 B6R0.6 CCCOCCO CNP0079853.0 [1,0,0,0,0,0|3,0,0]=4 108 B6R0.6 CCCSCCC CNP0173387.0 [1,0,0,0,0,0|2,0,0]=3 109 B6R0.6 CCCSSCC CNP0322971.0 [1,0,0,0,0,0|1,1,0]=3 110 B6R0.6 CCCSSSC CNP0104471.0 [1,0,0,0,0,0|2,1,0]=4 111 B6R0.6 CCOCCCO CNP0304052.0 [1,0,0,0,0,0|1,0,1]=3 112 B6R0.6 CCOCCCS CNP0267296.0 [1,0,0,0,0,0|1,0,1]=3 113 B6R0.6 CCSCCCO CNP0355297.0 [1,0,0,0,0,0|1,1,1]=4 114 B6R0.6 CCSSCSC CNP0003140.0 [1,0,0,0,0,0|2,1,0]=4 115 B6R0.6 CCSSSCC CNP0196220.0 [1,0,0,0,0,0|2,1,0]=4 116 B8R0.1 C=CCCC(=O)OCC CNP0003358.0 [0,1,0,0,0,0|0,0,1]=2 117 B8R0.1 C=CCOC(=O)C=CC CNP0018156.0 [0,1,0,0,0,0|0,0,3]=4 118 B8R0.1 C=CCOC(=O)CCC CNP0002468.0 [0,1,0,0,0,0|0,0,1]=2 119 B8R0.1 C=CCOS(=S)CCC CNP0539832.0 [0,1,0,0,0,0|1,1,1]=4 120 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [0,1,0,0,0,0|1,0,1]=3 121 B8R0.1 CCCC(=O)OCSC CNP0002701.0 [0,1,0,0,0,0|0,0,0]=1 122 B8R0.1 CCCC(S)CCOC CNP0309037.0 [0,1,0,0,0,0|1,1,1]=4 123 B8R0.1 CCCCC(=O)CCC CNP0094009.0 [0,1,0,0,0,0|1,0,0]=2 124 B8R0.1 CCCCC(=O)OCC CNP0305309.0 [0,1,0,0,0,0|0,0,0]=1 125 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [0,1,0,0,0,0|2,0,1]=4 126 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [0,1,0,0,0,0|1,0,2]=4 127 B8R0.1 CCCOC(=O)CCC CNP0083884.0 [0,1,0,0,0,0|0,0,0]=1 128 B8R0.1 CCCOC(C)OCC CNP0154058.0 [0,1,0,0,0,0|1,0,1]=3 129 B8R0.1 CCCS[S+]([O-])CCC CNP0505813.0 [0,1,0,0,0,0|1,1,1]=4 130 B8R0.1 CCCS[S@+]([O-])CCC CNP0505813.1 [0,1,0,0,0,0|1,1,1]=4 131 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [0,1,0,0,0,0|0,0,1]=2 133 B8R0.1 CCOC(=O)CCCO CNP0364509.0 [0,1,0,0,0,0|0,0,0]=1 134 B8R0.1 CCOC(=O)CCSC CNP0199051.0 [0,1,0,0,0,0|0,0,0]=1 135 B8R0.1 CCO[S@H](=O)SCSC CNP0547114.1 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.1 CCO[S@](=O)SCSC CNP0331532.1 [0,1,0,0,0,0|2,0,0]=3 137 B8R0.3 C/C=C/C(=O)[C@@H](C)CC CNP0293827.1 [0,1,0,0,0,0|1,0,1]=3 138 B8R0.3 C/C=C/C(=O)[C@H](C)CC CNP0293827.2 [0,1,0,0,0,0|1,0,1]=3 139 B8R0.3 C=C(CC)C(=O)COC CNP0612231.0 [0,1,0,0,0,0|2,0,0]=3 140 B8R0.3 CC=C(C)C(=O)OCC CNP0316393.0 [0,1,0,0,0,0|0,0,2]=3 141 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [0,1,0,0,0,0|1,0,0]=2 143 B8R0.3 CCCC(=O)C(C)CC CNP0595391.0 [0,1,0,0,0,0|1,0,0]=2 144 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.3 CCC[C@@H](C)[C@@H](O)CC CNP0195480.3 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.3 CCC[C@@H](C)[C@H](C)CC CNP0401760.1 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.3 CCC[C@H](C)[C@@H](C)CC CNP0401760.2 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.3 CCC[C@H](C)[C@@H](O)CC CNP0195480.2 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.3 CCC[C@H](C)[C@H](C)CC CNP0401760.3 [0,1,0,0,0,0|2,0,1]=4 151 B8R0.3 CCC[C@H](C)[C@H](O)CC CNP0195480.1 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.3 CCOC(=O)C(=CBr)Br CNP0179684.0 [0,1,0,0,0,0|1,0,2]=4 153 B8R0.3 CCOC(=O)C(=CI)I CNP0386420.0 [0,1,0,0,0,0|1,0,2]=4 154 B8R0.3 CCOC(=O)C(=NO)C CNP0380826.0 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [0,1,0,0,0,0|0,0,1]=2 156 B8R0.3 CCOC(=O)[C@@H](C)C=O CNP0028245.1 [0,1,0,0,0,0|1,0,1]=3 157 B8R0.3 CCOC(=O)[C@@H](C)CC CNP0105613.2 [0,1,0,0,0,0|0,0,0]=1 158 B8R0.3 CCOC(=O)[C@@H](N)CO CNP0522179.2 [0,1,0,0,0,0|1,0,0]=2 159 B8R0.3 CCOC(=O)[C@@H](N)CS CNP0398806.2 [0,1,0,0,0,0|1,0,0]=2 160 B8R0.3 CCOC(=O)[C@H](C)CC CNP0105613.1 [0,1,0,0,0,0|0,0,0]=1 161 B8R0.3 CCOC(=O)[C@H](N)CO CNP0522179.1 [0,1,0,0,0,0|1,0,0]=2 162 B8R0.3 CCOC(=O)[C@H](O)C#N CNP0342133.1 [0,1,0,0,0,0|1,0,1]=3 163 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [0,1,0,0,0,0|1,0,1]=3 165 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [0,1,0,0,0,0|1,0,1]=3 166 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.5 CCCC(=O)CC(C)C CNP0504556.0 [0,1,0,0,0,0|1,0,0]=2 168 B8R0.5 CCCC(=O)OC(C)C CNP0194975.0 [0,1,0,0,0,0|0,0,0]=1 169 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [0,1,0,0,0,0|1,0,2]=4 172 B8R0.5 CCOC(=O)C=C(Br)Br CNP0238604.0 [0,1,0,0,0,0|1,0,2]=4 173 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [0,1,0,0,0,0|0,0,2]=3 174 B8R0.5 CCOC(=O)C=C(Cl)Cl CNP0166336.0 [0,1,0,0,0,0|1,0,2]=4 175 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [0,1,0,0,0,0|0,0,1]=2 176 B8R0.5 CCOC(=O)CC(=O)N CNP0369111.0 [0,1,0,0,0,0|1,0,1]=3 177 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [0,1,0,0,0,0|1,0,1]=3 178 B8R0.5 CCOC(=O)CC(C)C CNP0224486.0 [0,1,0,0,0,0|0,0,0]=1 179 B8R0.5 CCOC(=O)CC(C)S CNP0121387.0 [0,1,0,0,0,0|0,0,0]=1 180 B8R0.5 CCOC(=O)C[C@@H](C)N CNP0183857.1 [0,1,0,0,0,0|0,0,0]=1 181 B8R0.5 CCOC(=O)C[C@@H](C)O CNP0265277.2 [0,1,0,0,0,0|0,0,0]=1 182 B8R0.5 CCOC(=O)C[C@H](C)O CNP0265277.1 [0,1,0,0,0,0|0,0,0]=1 183 B8R0.5 CCOC(=O)C[S+](C)C CNP0041723.0 [0,1,0,0,0,0|1,0,0]=2 184 B8R0.5 CCOC(=O)C[S](C)C CNP0481099.0 [0,1,0,0,0,0|1,0,0]=2 185 B8R0.5 CCOC(=O)NC(=O)N CNP0241486.0 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.5 CCSC(=S)OC(C)C CNP0320559.0 [0,1,0,0,0,0|1,1,0]=3 187 B8R0.22 CCC=C(C=O)CCC CNP0527539.0 [0,1,0,0,0,0|1,0,0]=2 188 B8R0.22 CCCC(=NO)CCC CNP0366648.0 [0,1,0,0,0,0|1,0,1]=3 189 B8R0.22 CCCC(CO)CCC CNP0538708.0 [0,1,0,0,0,0|1,0,2]=4 190 B8R0.22 CCCN(C=O)CCC CNP0082253.0 [0,1,0,0,0,0|2,0,0]=3 191 B8R0.22 CCOC(C#N)OCC CNP0261292.0 [0,1,0,0,0,0|2,0,1]=4 192 B8R0.22 CCOC(CC)OCC CNP0017880.0 [0,1,0,0,0,0|2,0,1]=4 193 B8R0.30 CCCP(=S)(C)CCC CNP0210632.0 [0,1,0,0,0,0|2,1,0]=4 194 B8R0.30 CCCS(=O)(=O)CCC CNP0537279.0 [0,1,0,0,0,0|2,0,0]=3 195 B8R0.30 CCOC(C)(C)OCC CNP0564539.0 [0,1,0,0,0,0|2,0,1]=4 196 B8R0.30 CCOP(=O)(Cl)OCC CNP0609096.0 [0,1,0,0,0,0|2,0,0]=3 197 B8R0.30 CCOP(=O)(O)OCC CNP0088182.0 [0,1,0,0,0,0|2,0,0]=3 198 B8R0.30 CCOP(=S)(O)OCC CNP0083541.0 [0,1,0,0,0,0|2,0,1]=4 199 B8R0.30 CCOS(=O)(=O)OCC CNP0264783.0 [0,1,0,0,0,0|2,0,0]=3 200 B8R0.30 CCO[Si](C)(C)OCC CNP0080014.0 [0,1,0,0,0,0|2,1,0]=4 201 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [0,0,0,1,0,0|1,0,1]=3 202 B8R1.4 CC1=CC(=O)CCO1 CNP0226568.0 [0,0,0,1,0,0|2,0,1]=4 203 B8R1.4 CC1=CC(=O)OCC1 CNP0413900.0 [0,0,0,1,0,0|0,0,2]=3 204 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [0,0,0,1,0,0|2,0,0]=3 205 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [0,0,0,1,0,0|1,0,2]=4 206 B8R1.4 CC1=CCCC(C1)O CNP0351530.0 [0,0,0,1,0,0|3,0,0]=4 207 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [0,0,0,1,0,0|1,0,1]=3 208 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [0,0,0,1,0,0|3,0,0]=4 209 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [0,0,0,1,0,0|1,0,1]=3 210 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [0,0,0,1,0,0|0,0,0]=1 211 B8R1.4 CN1CCOC(C1)O CNP0001228.0 [0,0,0,1,0,0|1,0,2]=4 212 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [0,0,0,1,0,0|0,0,2]=3 213 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [0,0,0,1,0,0|1,0,0]=2 214 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [0,0,0,1,0,0|0,0,0]=1 215 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [0,0,0,1,0,0|2,0,1]=4 216 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [0,0,0,1,0,0|1,0,2]=4 217 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [0,0,0,1,0,0|2,0,1]=4 218 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [0,0,0,1,0,0|2,0,1]=4 219 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [0,0,0,1,0,0|1,0,2]=4 220 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [0,0,0,1,0,0|2,0,1]=4 221 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [0,0,0,1,0,0|0,0,2]=3 222 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [0,0,0,1,0,0|1,0,0]=2 223 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [0,0,0,1,0,0|0,0,0]=1 224 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [0,0,0,1,0,0|1,0,2]=4 225 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [0,0,0,1,0,0|1,0,2]=4 226 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [0,0,0,1,0,0|1,1,0]=3 227 B8R1.4 C[C@H]1OCC[C@@H](O1)C CNP0515975.1 [0,0,0,1,0,0|2,0,1]=4 228 B8R1.4 O=C1C=C(CCC1)O CNP0445529.0 [0,0,0,1,0,0|2,0,1]=4 229 B8R1.4 O=C1C=C(CCO1)O CNP0610564.0 [0,0,0,1,0,0|1,0,2]=4 230 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [0,0,0,1,0,0|1,0,1]=3 231 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [0,0,0,1,0,0|2,0,0]=3 232 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [0,0,0,1,0,0|1,0,2]=4 233 B8R1.8 CCCC1CCCC1 CNP0271421.0 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.8 CCCC1NCCS1 CNP0002551.0 [0,0,0,1,0,0|1,1,1]=4 235 B8R1.8 CCCN1OCCO1 CNP0257167.0 [0,0,0,1,0,0|1,0,1]=3 236 B8R1.11 CC=C1CCNC1=O CNP0182504.0 [0,0,0,1,0,0|1,0,2]=4 237 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [0,0,0,1,0,0|2,0,0]=3 238 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [0,0,0,1,0,0|1,0,1]=3 239 B8R1.11 CCC1CCCC1=O CNP0494839.0 [0,0,0,1,0,0|1,0,0]=2 240 B8R1.11 CCC1SCCC1=O CNP0185206.0 [0,0,0,1,0,0|2,0,0]=3 241 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [0,0,0,1,0,0|1,0,1]=3 242 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [0,0,0,1,0,0|2,0,1]=4 243 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [0,0,0,1,0,0|1,0,1]=3 244 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [0,0,0,1,0,0|1,0,0]=2 245 B8R1.11 COC1=CCOC1=O CNP0235181.0 [0,0,0,1,0,0|1,0,2]=4 246 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [0,0,0,1,0,0|2,0,1]=4 247 B8R1.11 O=C1OCC=C1CO CNP0023651.0 [0,0,0,1,0,0|1,0,2]=4 248 B8R1.18 CC1=CC(=O)CC1C CNP0529519.0 [0,0,0,1,0,0|1,0,1]=3 249 B8R1.18 CC1CC(=O)OC1=O CNP0605808.0 [0,0,0,1,0,0|1,0,1]=3 250 B8R1.18 CC1C[C@H]([C@@H](C1)C)C CNP0321029.2 [0,0,0,1,0,0|2,0,1]=4 251 B8R1.18 CC1OC(=O)OC1C CNP0571376.0 [0,0,0,1,0,0|1,0,0]=2 252 B8R1.18 CC1O[C@@H]([C@H](O1)C)C CNP0305493.1 [0,0,0,1,0,0|2,0,1]=4 253 B8R1.18 C[C@@H]1CC(=O)O[C@@H]1O CNP0514766.1 [0,0,0,1,0,0|1,0,0]=2 254 B8R1.18 C[C@@H]1CC(=O)O[C@H]1C CNP0262923.2 [0,0,0,1,0,0|0,0,0]=1 255 B8R1.18 C[C@@H]1C[C@H]([C@H](C1)C)C CNP0321029.1 [0,0,0,1,0,0|2,0,1]=4 256 B8R1.18 C[C@@H]1OC(=O)C=C1O CNP0159681.2 [0,0,0,1,0,0|1,0,2]=4 257 B8R1.18 C[C@H]1CC(=O)O[C@@H]1C CNP0262923.1 [0,0,0,1,0,0|0,0,0]=1 258 B8R1.18 C[C@H]1OC(=O)C=C1O CNP0159681.1 [0,0,0,1,0,0|1,0,2]=4 259 B8R1.18 C[C@H]1OC(=O)CC1=O CNP0358326.1 [0,0,0,1,0,0|1,0,1]=3 260 B8R1.22 CC1CCCCCC1 CNP0214318.0 [0,0,0,1,0,0|2,0,1]=4 261 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [0,0,0,1,0,0|2,0,0]=3 262 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [0,0,0,1,0,0|2,0,0]=3 263 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [0,0,0,1,0,0|1,0,2]=4 264 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [0,0,0,1,0,0|1,0,0]=2 265 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [0,0,0,1,0,0|1,0,0]=2 266 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [0,0,0,1,0,0|0,0,0]=1 267 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [0,0,0,1,0,0|2,0,0]=3 268 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [0,0,0,1,0,0|1,0,1]=3 269 B5R0.1 C#CCC(=O)O CNP0049385.0 [2,0,0,0,0,0|0,0,2]=4 270 B5R0.1 C=C(C)CCC CNP0179329.0 [2,0,0,0,0,0|1,0,0]=3 271 B5R0.1 C=C(C)CCO CNP0285127.0 [2,0,0,0,0,0|2,0,0]=4 272 B5R0.1 C=C(O)CCC CNP0003382.0 [2,0,0,0,0,0|1,0,0]=3 273 B5R0.1 C=CCC(=O)C CNP0385825.0 [2,0,0,0,0,0|0,0,2]=4 274 B5R0.1 C=CCC(=O)O CNP0172155.0 [2,0,0,0,0,0|0,0,2]=4 275 B5R0.1 C=COC(=O)C CNP0003526.0 [2,0,0,0,0,0|0,0,2]=4 276 B5R0.1 CC(=O)CCO CNP0251527.0 [2,0,0,0,0,0|1,0,0]=3 277 B5R0.1 CC(=O)CCS CNP0404753.0 [2,0,0,0,0,0|1,0,0]=3 278 B5R0.1 CC(=O)OCS CNP0547679.0 [2,0,0,0,0,0|1,0,0]=3 279 B5R0.1 CC=CC(=O)C CNP0158055.0 [2,0,0,0,0,0|0,0,2]=4 280 B5R0.1 CC=CC(=O)O CNP0379669.0 [2,0,0,0,0,0|0,0,2]=4 281 B5R0.1 CCC=C(C)C CNP0331653.0 [2,0,0,0,0,0|1,0,1]=4 282 B5R0.1 CCC=C(C)O CNP0225775.0 [2,0,0,0,0,0|0,0,2]=4 283 B5R0.1 CCCC(=O)C CNP0169448.0 [2,0,0,0,0,0|0,0,0]=2 284 B5R0.1 CCCC(=O)N CNP0115101.0 [2,0,0,0,0,0|1,0,0]=3 285 B5R0.1 CCCC(=O)O CNP0259447.0 [2,0,0,0,0,0|0,0,0]=2 286 B5R0.1 CCCC(=O)[O-] CNP0521413.0 [2,0,0,0,0,0|0,0,1]=3 287 B5R0.1 CCCC(C)C CNP0319065.0 [2,0,0,0,0,0|1,0,1]=4 288 B5R0.1 CCCC(C)S CNP0029638.0 [2,0,0,0,0,0|0,1,1]=4 289 B5R0.1 CCCC(O)O CNP0076336.0 [2,0,0,0,0,0|0,0,2]=4 290 B5R0.1 CCCS(=S)O CNP0558357.0 [2,0,0,0,0,0|1,1,0]=4 291 B5R0.1 CCC[C@@H](C)O CNP0287976.1 [2,0,0,0,0,0|0,0,2]=4 292 B5R0.1 CCC[C@H](C)O CNP0287976.2 [2,0,0,0,0,0|0,0,2]=4 293 B5R0.1 CCNC(=O)C CNP0260078.0 [2,0,0,0,0,0|1,0,0]=3 294 B5R0.1 CCOC(=O)C CNP0322418.0 [2,0,0,0,0,0|0,0,0]=2 295 B5R0.1 CCOC(=O)N CNP0336700.0 [2,0,0,0,0,0|1,0,0]=3 296 B5R0.1 CCOC(=O)O CNP0166515.0 [2,0,0,0,0,0|1,0,0]=3 297 B5R0.1 CCOC(C)C CNP0604172.0 [2,0,0,0,0,0|1,0,1]=4 298 B5R0.1 CCO[13C](=O)C CNP0577601.0 [2,0,0,0,0,0|0,0,0]=2 299 B5R0.1 CCSC(=O)C CNP0274861.0 [2,0,0,0,0,0|0,1,0]=3 300 B5R0.1 CNCC(=O)O CNP0307073.0 [2,0,0,0,0,0|1,0,0]=3 301 B5R0.1 CNCC(=O)O CNP0563704.0 [2,0,0,0,0,0|1,0,0]=3 302 B5R0.1 CNCC(=O)[O-] CNP0565920.0 [2,0,0,0,0,0|1,0,1]=4 303 B5R0.1 COCC(=O)C CNP0581024.0 [2,0,0,0,0,0|1,0,0]=3 304 B5R0.1 COCC(=O)O CNP0343219.0 [2,0,0,0,0,0|1,0,0]=3 305 B5R0.1 CSCC(=O)C CNP0002513.0 [2,0,0,0,0,0|1,0,0]=3 306 B5R0.1 CSCC(=O)O CNP0447839.0 [2,0,0,0,0,0|1,0,0]=3 307 B5R0.1 C[Se]CC(=O)O CNP0526449.0 [2,0,0,0,0,0|1,0,0]=3 308 B5R0.1 C[Te]CC(=O)O CNP0537189.0 [2,0,0,0,0,0|1,0,0]=3 309 B5R0.1 N#CCC(=O)O CNP0269115.0 [2,0,0,0,0,0|1,0,1]=4 310 B5R0.1 NCCC(=O)O CNP0226336.0 [2,0,0,0,0,0|1,0,0]=3 311 B5R0.1 NCCP(=O)O CNP0498602.0 [2,0,0,0,0,0|2,0,0]=4 312 B5R0.1 NCC[S@@](=O)O CNP0211926.2 [2,0,0,0,0,0|2,0,0]=4 313 B5R0.1 NCC[S@](=O)O CNP0211926.1 [2,0,0,0,0,0|2,0,0]=4 314 B5R0.1 NOCC(=O)O CNP0293826.0 [2,0,0,0,0,0|2,0,0]=4 315 B5R0.1 O=C(O)CCO CNP0228379.0 [2,0,0,0,0,0|1,0,0]=3 316 B5R0.1 O=C(O)CCS CNP0097385.0 [2,0,0,0,0,0|1,0,0]=3 317 B5R0.1 O=C(O)CNO CNP0316873.0 [2,0,0,0,0,0|2,0,0]=4 318 B5R0.1 O=CCC(=O)O CNP0149091.0 [2,0,0,0,0,0|1,0,1]=4 319 B5R0.1 [C-]#[N+]CC(=O)O CNP0534475.0 [2,0,0,0,0,0|1,0,1]=4 320 B5R0.2 CC=C=COC CNP0519318.0 [2,0,0,0,0,0|0,0,2]=4 321 B5R0.2 CC=CCCC CNP0419577.0 [2,0,0,0,0,0|0,0,1]=3 322 B5R0.2 CC=CCCO CNP0253382.0 [2,0,0,0,0,0|1,0,1]=4 323 B5R0.2 CCC=CCO CNP0239009.0 [2,0,0,0,0,0|1,0,1]=4 324 B5R0.2 CCC=CSC CNP0068372.0 [2,0,0,0,0,0|0,1,1]=4 325 B5R0.2 CCC=NNC CNP0543863.0 [2,0,0,0,0,0|2,0,0]=4 326 B5R0.2 CCCC=CO CNP0247153.0 [2,0,0,0,0,0|1,0,1]=4 327 B5R0.2 CCCC=NO CNP0071145.0 [2,0,0,0,0,0|2,0,0]=4 328 B5R0.2 CCCCCBr CNP0018690.0 [2,0,0,0,0,0|1,0,1]=4 329 B5R0.2 CCCCCC CNP0269021.0 [2,0,0,0,0,0|0,0,1]=3 330 B5R0.2 CCCCCI CNP0017763.0 [2,0,0,0,0,0|1,0,1]=4 331 B5R0.2 CCCCCN CNP0203183.0 [2,0,0,0,0,0|1,0,1]=4 332 B5R0.2 CCCCCO CNP0244882.0 [2,0,0,0,0,0|1,0,1]=4 333 B5R0.2 CCCCCS CNP0260876.0 [2,0,0,0,0,0|1,0,1]=4 334 B5R0.2 CCCCNC CNP0277639.0 [2,0,0,0,0,0|1,0,1]=4 335 B5R0.2 CCCCOC CNP0609033.0 [2,0,0,0,0,0|0,0,1]=3 336 B5R0.2 CCCCSC CNP0562965.0 [2,0,0,0,0,0|0,1,1]=4 337 B5R0.2 CCCOC=O CNP0326097.0 [2,0,0,0,0,0|1,0,1]=4 338 B5R0.2 CCCSCC CNP0316215.0 [2,0,0,0,0,0|0,1,0]=3 339 B5R0.2 CCCSSC CNP0296815.0 [2,0,0,0,0,0|1,1,0]=4 340 B5R0.2 CCNCCN CNP0281269.0 [2,0,0,0,0,0|2,0,0]=4 341 B5R0.2 CCNCCO CNP0396370.0 [2,0,0,0,0,0|2,0,0]=4 342 B5R0.2 CCOCC#N CNP0184632.0 [2,0,0,0,0,0|1,0,1]=4 343 B5R0.2 CCOCCO CNP0319988.0 [2,0,0,0,0,0|1,0,0]=3 344 B5R0.2 CCSCCN CNP0506731.0 [2,0,0,0,0,0|1,1,0]=4 345 B5R0.2 CCSSCC CNP0416624.0 [2,0,0,0,0,0|1,1,0]=4 346 B5R0.2 COC=COC CNP0416791.0 [2,0,0,0,0,0|1,0,1]=4 347 B5R0.2 COCCOC CNP0144142.0 [2,0,0,0,0,0|1,0,1]=4 348 B5R0.3 C#CC(=O)OC CNP0572702.0 [2,0,0,0,0,0|0,0,2]=4 349 B5R0.3 C=CC(=O)CC CNP0362181.0 [2,0,0,0,0,0|0,0,2]=4 350 B5R0.3 C=CC(=O)OC CNP0217866.0 [2,0,0,0,0,0|0,0,2]=4 351 B5R0.3 CC=C(C)CC CNP0247687.0 [2,0,0,0,0,0|1,0,1]=4 352 B5R0.3 CCC(=O)C=O CNP0301331.0 [2,0,0,0,0,0|1,0,1]=4 353 B5R0.3 CCC(=O)CC CNP0270305.0 [2,0,0,0,0,0|0,0,0]=2 354 B5R0.3 CCC(=O)CO CNP0165007.0 [2,0,0,0,0,0|1,0,0]=3 355 B5R0.3 CCC(=O)NN CNP0281170.0 [2,0,0,0,0,0|2,0,0]=4 356 B5R0.3 CCC(=O)OC CNP0166631.0 [2,0,0,0,0,0|0,0,0]=2 357 B5R0.3 CCC(=O)SC CNP0240172.0 [2,0,0,0,0,0|0,1,0]=3 358 B5R0.3 CCC(C)CC CNP0316485.0 [2,0,0,0,0,0|1,0,1]=4 359 B5R0.3 CCC(N)CC CNP0103985.0 [2,0,0,0,0,0|1,0,1]=4 360 B5R0.3 CCC(O)CC CNP0293075.0 [2,0,0,0,0,0|0,0,2]=4 361 B5R0.3 CC[S+](C)CC CNP0038064.0 [2,0,0,0,0,0|2,0,0]=4 362 B5R0.3 CC[S](C)CC CNP0523180.0 [2,0,0,0,0,0|2,0,0]=4 363 B5R0.3 CNC(=O)NC CNP0028412.0 [2,0,0,0,0,0|2,0,0]=4 364 B5R0.3 CNC(=O)OC CNP0483114.0 [2,0,0,0,0,0|1,0,0]=3 365 B5R0.3 COC(=O)CI CNP0017842.0 [2,0,0,0,0,0|1,0,0]=3 366 B5R0.3 COC(=O)NN CNP0033099.0 [2,0,0,0,0,0|2,0,0]=4 367 B5R0.3 O=C(CBr)CBr CNP0132836.0 [2,0,0,0,0,0|2,0,0]=4 368 B5R0.3 O=C(CBr)CI CNP0145168.0 [2,0,0,0,0,0|2,0,0]=4 369 B5R0.3 O=C(CCl)CBr CNP0149884.0 [2,0,0,0,0,0|2,0,0]=4 370 B5R0.3 O=C(CCl)CCl CNP0301990.0 [2,0,0,0,0,0|2,0,0]=4 371 B5R0.3 O=C(CCl)CI CNP0408833.0 [2,0,0,0,0,0|2,0,0]=4 372 B5R0.3 O=C(CO)CCl CNP0281226.0 [2,0,0,0,0,0|2,0,0]=4 373 B5R0.3 O=C(CO)CO CNP0303926.0 [2,0,0,0,0,0|2,0,0]=4 374 B5R0.3 [O]CC(=O)CCl CNP0505790.0 [2,0,0,0,0,0|2,0,0]=4 375 B7R0.2 CC(C)CC(=O)C#N CNP0113699.0 [1,1,0,0,0,0|1,0,1]=4 376 B7R0.2 CCC(=O)C=C(C)C CNP0540144.0 [1,1,0,0,0,0|0,0,2]=4 377 B7R0.2 CCC(=O)CC(=O)O CNP0066606.0 [1,1,0,0,0,0|1,0,1]=4 378 B7R0.2 CCC(=O)CC(C)C CNP0284484.0 [1,1,0,0,0,0|0,0,0]=2 379 B7R0.2 CCC(=O)NC(=O)C CNP0168988.0 [1,1,0,0,0,0|1,0,1]=4 380 B7R0.2 CCC(=O)OC(C)C CNP0250066.0 [1,1,0,0,0,0|0,0,0]=2 381 B7R0.2 CC[C@H](C)CC(C)C CNP0229015.1 [1,1,0,0,0,0|1,0,1]=4 382 B7R0.2 COC(=O)C=C(C)C CNP0329537.0 [1,1,0,0,0,0|0,0,2]=4 383 B7R0.2 COC(=O)CC(=O)C CNP0086286.0 [1,1,0,0,0,0|0,0,1]=3 384 B7R0.2 COC(=O)CC(=O)O CNP0461449.0 [1,1,0,0,0,0|1,0,1]=4 385 B7R0.2 COC(=O)CC(C)C CNP0289344.0 [1,1,0,0,0,0|0,0,0]=2 386 B7R0.2 COC(=O)CC(C)S CNP0050854.0 [1,1,0,0,0,0|0,0,0]=2 387 B7R0.2 COC(=O)CN(C)C CNP0318263.0 [1,1,0,0,0,0|1,0,0]=3 388 B7R0.2 COC(=O)C[C@@H](C)N CNP0127877.1 [1,1,0,0,0,0|0,0,0]=2 389 B7R0.2 COC(=O)C[C@H](C)O CNP0117417.1 [1,1,0,0,0,0|0,0,0]=2 390 B7R0.2 COC(=O)C[S+](C)C CNP0025669.0 [1,1,0,0,0,0|1,0,0]=3 391 B7R0.2 COC(=O)C[S](C)C CNP0539244.0 [1,1,0,0,0,0|1,0,0]=3 392 B7R0.2 CSC(=O)CC(C)C CNP0084338.0 [1,1,0,0,0,0|0,1,0]=3 393 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,1,0,0,0,0|1,0,0]=3 394 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,1,0,0,0,0|0,0,2]=4 395 B7R0.3 C=CC(=O)OCCO CNP0080032.0 [1,1,0,0,0,0|0,0,2]=4 396 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,1,0,0,0,0|0,0,1]=3 397 B7R0.3 C=CCSC(=O)CC CNP0172366.0 [1,1,0,0,0,0|0,0,2]=4 398 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,1,0,0,0,0|0,0,0]=2 399 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,1,0,0,0,0|0,0,0]=2 400 B7R0.3 CCC(C)CCCO CNP0251541.0 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,1,0,0,0,0|0,0,1]=3 402 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,1,0,0,0,0|1,0,0]=3 403 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,1,0,0,0,0|0,0,0]=2 404 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,1,0,0,0,0|0,0,0]=2 405 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,1,0,0,0,0|1,0,1]=4 406 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,1,0,0,0,0|1,0,1]=4 407 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,1,0,0,0,0|0,0,2]=4 408 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,1,0,0,0,0|0,0,0]=2 409 B7R0.3 CCCSC(S)CC CNP0370062.0 [1,1,0,0,0,0|0,1,1]=4 410 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,1,0,0,0,0|0,0,0]=2 411 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,1,0,0,0,0|1,0,0]=3 412 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,1,0,0,0,0|0,0,1]=3 413 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,1,0,0,0,0|0,0,1]=3 414 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,1,0,0,0,0|0,0,0]=2 415 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,1,0,0,0,0|0,0,2]=4 416 B7R0.5 C=C(C)C(=O)OCC CNP0262350.0 [1,1,0,0,0,0|0,0,1]=3 417 B7R0.5 C=C(CCO)C(C)C CNP0174657.0 [1,1,0,0,0,0|2,0,0]=4 418 B7R0.5 C=C(Cl)C(=O)OCC CNP0017723.0 [1,1,0,0,0,0|0,0,2]=4 419 B7R0.5 C=C(O)C(=O)OCC CNP0311886.0 [1,1,0,0,0,0|0,0,2]=4 420 B7R0.5 CC(=O)C(=O)CCO CNP0018467.0 [1,1,0,0,0,0|1,0,1]=4 421 B7R0.5 CCCC(=O)C(=O)C CNP0318298.0 [1,1,0,0,0,0|0,0,1]=3 422 B7R0.5 CCCC(=O)C(=O)N CNP0302137.0 [1,1,0,0,0,0|1,0,1]=4 423 B7R0.5 CCCC(=O)C(=O)O CNP0186110.0 [1,1,0,0,0,0|1,0,1]=4 424 B7R0.5 CCCC(=O)C(C)C CNP0310980.0 [1,1,0,0,0,0|0,0,0]=2 425 B7R0.5 CCCC(=O)[C@@H](C)O CNP0229678.1 [1,1,0,0,0,0|0,0,0]=2 426 B7R0.5 CCCC(=O)[C@H](C)O CNP0229678.2 [1,1,0,0,0,0|0,0,0]=2 427 B7R0.5 CCC[C@H](C)C(C)C CNP0153562.1 [1,1,0,0,0,0|1,0,1]=4 428 B7R0.5 CCOC(=O)C(=O)C CNP0125982.0 [1,1,0,0,0,0|0,0,1]=3 429 B7R0.5 CCOC(=O)C(Br)Br CNP0156394.0 [1,1,0,0,0,0|1,0,0]=3 430 B7R0.5 CCOC(=O)C(C)C CNP0230163.0 [1,1,0,0,0,0|0,0,0]=2 431 B7R0.5 CCOC(=O)C(C)S CNP0003364.0 [1,1,0,0,0,0|0,0,0]=2 432 B7R0.5 CCOC(=O)C(I)I CNP0017599.0 [1,1,0,0,0,0|1,0,0]=3 433 B7R0.5 CCOC(=O)[C@@H](C)O CNP0196373.1 [1,1,0,0,0,0|0,0,0]=2 434 B7R0.5 CCOC(=O)[C@@H](N)O CNP0223333.1 [1,1,0,0,0,0|1,0,0]=3 435 B7R0.5 CCOC(=O)[C@H](Br)I CNP0114584.1 [1,1,0,0,0,0|1,0,0]=3 436 B7R0.5 CCOC(=O)[C@H](C)O CNP0196373.2 [1,1,0,0,0,0|0,0,0]=2 437 B7R0.10 C=CC(=O)C(C)CC CNP0127244.0 [1,1,0,0,0,0|0,0,2]=4 438 B7R0.10 CC=C(C)C(=O)CC CNP0305910.0 [1,1,0,0,0,0|0,0,2]=4 439 B7R0.10 CC=C(C)C(=O)OC CNP0136936.0 [1,1,0,0,0,0|0,0,2]=4 440 B7R0.10 CCC(=O)C(=O)CC CNP0249046.0 [1,1,0,0,0,0|0,0,1]=3 441 B7R0.10 CCC(=O)[C@@H](C)CC CNP0326368.2 [1,1,0,0,0,0|0,0,0]=2 442 B7R0.10 CCC(=O)[C@H](C)CC CNP0326368.1 [1,1,0,0,0,0|0,0,0]=2 443 B7R0.10 CCC(O)C(=O)OC CNP0611994.0 [1,1,0,0,0,0|0,0,0]=2 444 B7R0.10 CC[C@@H](C)C(=O)OC CNP0253021.1 [1,1,0,0,0,0|0,0,0]=2 445 B7R0.10 CC[C@@H](C)[C@@H](C)CC CNP0380511.1 [1,1,0,0,0,0|1,0,1]=4 446 B7R0.10 CC[C@@H](O)[C@@H](C)CC CNP0328845.1 [1,1,0,0,0,0|0,0,2]=4 447 B7R0.10 CC[C@H](C)C(=O)OC CNP0253021.2 [1,1,0,0,0,0|0,0,0]=2 448 B7R0.10 CN[C@@H](C)C(=O)OC CNP0066351.2 [1,1,0,0,0,0|1,0,0]=3 449 B7R0.10 CN[C@H](C)C(=O)OC CNP0066351.1 [1,1,0,0,0,0|1,0,0]=3 450 B7R0.10 COC(=O)C(=O)OC CNP0349615.0 [1,1,0,0,0,0|1,0,1]=4 451 B7R0.10 COC(=O)C(C)CO CNP0487988.0 [1,1,0,0,0,0|1,0,0]=3 452 B7R0.10 COC(=O)[C@@H](N)CO CNP0398727.2 [1,1,0,0,0,0|1,0,0]=3 453 B7R0.10 COC(=O)[C@@H](N)CS CNP0178612.1 [1,1,0,0,0,0|1,0,0]=3 454 B7R0.10 COC(=O)[C@@H](O)CO CNP0269483.1 [1,1,0,0,0,0|1,0,0]=3 455 B7R0.10 COC(=O)[C@H](C)C=O CNP0094897.1 [1,1,0,0,0,0|1,0,1]=4 456 B7R0.10 COC(=O)[C@H](N)CS CNP0178612.2 [1,1,0,0,0,0|1,0,0]=3 457 B7R0.10 COC(=O)[C@H](O)CO CNP0269483.2 [1,1,0,0,0,0|1,0,0]=3 458 B7R0.10 O=C(CO)[C@@H](O)CO CNP0200270.1 [1,1,0,0,0,0|2,0,0]=4 459 B7R0.10 O=C(CO)[C@H](O)CO CNP0200270.2 [1,1,0,0,0,0|2,0,0]=4 460 B7R0.11 CCCC(C)(C)CC CNP0190081.0 [1,1,0,0,0,0|1,0,1]=4 461 B7R0.11 CCCC(C)(O)CC CNP0493821.0 [1,1,0,0,0,0|0,0,2]=4 462 B7R0.11 CCCS(=O)(=O)SC CNP0187882.0 [1,1,0,0,0,0|1,1,0]=4 463 B7R0.11 CCC[Si](Cl)(Cl)CC CNP0172768.0 [1,1,0,0,0,0|1,1,0]=4 464 B7R0.11 CCOC(C)(C)CC CNP0167701.0 [1,1,0,0,0,0|1,0,1]=4 465 B7R0.12 CC=C(C=O)CSC CNP0423167.0 [1,1,0,0,0,0|1,0,1]=4 466 B7R0.12 CCC=C(CC)CC CNP0530661.0 [1,1,0,0,0,0|1,0,1]=4 467 B7R0.12 CCCC(CC)CC CNP0154770.0 [1,1,0,0,0,0|1,0,1]=4 468 B7R0.12 CCCN(CC)CC CNP0172466.0 [1,1,0,0,0,0|2,0,0]=4 469 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,1,0,0,0,0|1,0,1]=4 470 B7R0.1 CCC#CCCCC CNP0602501.0 [1,1,0,0,0,0|1,0,1]=4 471 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,1,0,0,0,0|1,0,1]=4 472 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,1,0,0,0,0|1,0,1]=4 473 B7R0.1 CCC=CCCCC CNP0084702.0 [1,1,0,0,0,0|1,0,0]=3 474 B7R0.1 CCC=CCCCO CNP0003503.0 [1,1,0,0,0,0|1,0,0]=3 475 B7R0.1 CCCC#CCCC CNP0381743.0 [1,1,0,0,0,0|1,0,1]=4 476 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,1,0,0,0,0|1,0,1]=4 477 B7R0.1 CCCC=CCCC CNP0541880.0 [1,1,0,0,0,0|1,0,0]=3 478 B7R0.1 CCCC=CCCO CNP0287313.0 [1,1,0,0,0,0|1,0,0]=3 479 B7R0.1 CCCCC=CCO CNP0191159.0 [1,1,0,0,0,0|2,0,0]=4 480 B7R0.1 CCCCCCCC CNP0286567.0 [1,1,0,0,0,0|1,0,1]=4 481 B7R0.1 CCCCCCCN CNP0186919.0 [1,1,0,0,0,0|1,0,1]=4 482 B7R0.1 CCCCCCCO CNP0329737.0 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.1 CCCCCCNC CNP0413437.0 [1,1,0,0,0,0|1,0,1]=4 484 B7R0.1 CCCCCOCC CNP0520137.0 [1,1,0,0,0,0|0,0,1]=3 485 B7R0.1 CCCCNCCO CNP0185911.0 [1,1,0,0,0,0|1,0,1]=4 486 B7R0.1 CCCCOCCO CNP0080154.0 [1,1,0,0,0,0|0,0,1]=3 487 B7R0.1 CCCSSCCC CNP0328321.0 [1,1,0,0,0,0|1,1,0]=4 488 B7R0.1 CCCSSSCC CNP0094065.0 [1,1,0,0,0,0|1,1,0]=4 489 B7R0.1 CCNCCCCN CNP0107714.0 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.1 CCNCCNCC CNP0103183.0 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.1 CCSCSSCC CNP0079298.0 [1,1,0,0,0,0|1,1,0]=4 492 B7R0.1 COCCOCCO CNP0610336.0 [1,1,0,0,0,0|1,0,1]=4 493 B7R0.4 CC/C=C/C[C@H](C)O CNP0273661.3 [1,1,0,0,0,0|1,0,0]=3 494 B7R0.4 CC/C=C\C[C@@H](C)O CNP0273661.2 [1,1,0,0,0,0|1,0,0]=3 495 B7R0.4 CC/C=C\C[C@H](C)O CNP0273661.1 [1,1,0,0,0,0|1,0,0]=3 496 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,1,0,0,0,0|1,0,1]=4 498 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,1,0,0,0,0|1,0,1]=4 499 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,1,0,0,0,0|1,0,1]=4 500 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,1,0,0,0,0|1,0,1]=4 501 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,1,0,0,0,0|1,0,1]=4 502 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,1,0,0,0,0|1,0,1]=4 503 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,1,0,0,0,0|1,0,1]=4 505 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,1,0,0,0,0|0,0,2]=4 506 B7R0.4 CCCNCC(C)C CNP0333564.0 [1,1,0,0,0,0|2,0,0]=4 507 B7R0.4 CCCSCC(C)C CNP0116113.0 [1,1,0,0,0,0|2,0,0]=4 508 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,1,0,0,0,0|1,0,1]=4 509 B7R0.4 CCCSSC(C)C CNP0309421.0 [1,1,0,0,0,0|1,1,0]=4 510 B7R0.4 CCNCCC(C)C CNP0184897.0 [1,1,0,0,0,0|1,0,1]=4 511 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,1,0,0,0,0|0,0,2]=4 512 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,1,0,0,0,0|0,0,1]=3 513 B9R0.4 C=CCOC(=O)CC(C)C CNP0131911.0 [0,2,0,0,0,0|0,0,1]=3 514 B9R0.4 CCCCC(=O)C=C(C)C CNP0611962.0 [0,2,0,0,0,0|1,0,1]=4 515 B9R0.4 CCCCC(=O)CC(=O)C CNP0579463.0 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.4 CCCCC(=O)OC(C)C CNP0348909.0 [0,2,0,0,0,0|0,0,0]=2 517 B9R0.4 CCCOC(=O)CC(=O)O CNP0488661.0 [0,2,0,0,0,0|1,0,1]=4 518 B9R0.4 CCCOC(=O)CC(C)C CNP0105828.0 [0,2,0,0,0,0|0,0,0]=2 519 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,2,0,0,0,0|0,0,0]=2 520 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,2,0,0,0,0|0,0,2]=4 521 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,2,0,0,0,0|1,0,1]=4 522 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,2,0,0,0,0|1,0,1]=4 523 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,2,0,0,0,0|0,0,2]=4 524 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,2,0,0,0,0|0,0,2]=4 525 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,2,0,0,0,0|1,0,0]=3 526 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,2,0,0,0,0|0,0,0]=2 527 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,2,0,0,0,0|1,0,0]=3 528 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,2,0,0,0,0|0,0,0]=2 529 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,2,0,0,0,0|1,0,0]=3 530 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,2,0,0,0,0|2,0,0]=4 531 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,2,0,0,0,0|0,0,0]=2 532 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,2,0,0,0,0|0,0,0]=2 533 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [0,2,0,0,0,0|1,0,1]=4 534 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,2,0,0,0,0|0,0,0]=2 535 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,2,0,0,0,0|0,0,0]=2 536 B9R0.5 O=CCCSC(=O)CCS CNP0552323.0 [0,2,0,0,0,0|1,1,0]=4 537 B9R0.8 CC=C(C)C(=O)OCCC CNP0003448.0 [0,2,0,0,0,0|0,0,2]=4 538 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,2,0,0,0,0|2,0,0]=4 539 B9R0.8 CCCOC(=O)[C@H](C)CC CNP0204627.1 [0,2,0,0,0,0|0,0,0]=2 540 B9R0.8 CC[C@@H](C)C(=O)SCSC CNP0147868.1 [0,2,0,0,0,0|0,1,0]=3 541 B9R0.18 C=CCOC(=O)CCCC CNP0003307.0 [0,2,0,0,0,0|0,0,1]=3 542 B9R0.18 C=CCOC(=O)OCCO CNP0325066.0 [0,2,0,0,0,0|0,0,2]=4 543 B9R0.18 CCCCC(=O)CCCC CNP0611710.0 [0,2,0,0,0,0|1,0,0]=3 544 B9R0.18 CCCCC(=O)OCCC CNP0084151.0 [0,2,0,0,0,0|0,0,0]=2 545 B9R0.18 CCCCP(=O)CCCC CNP0029890.0 [0,2,0,0,0,0|2,0,0]=4 546 B9R0.18 CCCOS(=O)OCCC CNP0081953.0 [0,2,0,0,0,0|1,0,0]=3 547 B9R0.34 CCCC(=O)OC(C)CC CNP0531548.0 [0,2,0,0,0,0|0,0,0]=2 548 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,2,0,0,0,0|1,0,1]=4 549 B9R0.34 CCOC(=O)CC(C)SC CNP0019037.0 [0,2,0,0,0,0|0,0,0]=2 550 B9R0.34 CCOC(=O)C[C@@H](O)CC CNP0017829.1 [0,2,0,0,0,0|0,0,0]=2 551 B9R0.34 CCOC(=O)C[C@H](C)CC CNP0112934.1 [0,2,0,0,0,0|0,0,0]=2 552 B9R0.35 C/C=C/[C@H](C)C(=O)OCC CNP0248214.1 [0,2,0,0,0,0|0,0,1]=3 553 B9R0.35 C=C=CC(C)C(=O)OCC CNP0002840.0 [0,2,0,0,0,0|0,0,2]=4 554 B9R0.35 C=CCC(C)C(=O)OCC CNP0139800.0 [0,2,0,0,0,0|0,0,1]=3 555 B9R0.35 CCC=C(C)C(=O)OCC CNP0154719.0 [0,2,0,0,0,0|0,0,1]=3 556 B9R0.35 CCCC(=O)C(=O)CCC CNP0333081.0 [0,2,0,0,0,0|1,0,0]=3 557 B9R0.35 CCCC(=O)C(O)CCC CNP0003366.0 [0,2,0,0,0,0|1,0,0]=3 558 B9R0.35 CCC[C@H](C)C(=O)OCC CNP0333238.1 [0,2,0,0,0,0|0,0,0]=2 559 B9R0.35 CCOC(=O)C(=O)OCC CNP0247070.0 [0,2,0,0,0,0|0,0,1]=3 560 B9R0.35 CCOC(=O)C(C)SSC CNP0103429.0 [0,2,0,0,0,0|1,0,0]=3 561 B9R0.48 C=C(C)COC(=O)CCC CNP0002915.0 [0,2,0,0,0,0|0,0,0]=2 562 B9R0.48 CC=CC(=O)OCC(C)C CNP0002921.0 [0,2,0,0,0,0|0,0,2]=4 563 B9R0.48 CCCC(=O)CCC(=O)C CNP0566396.0 [0,2,0,0,0,0|1,0,0]=3 564 B9R0.48 CCCC(=O)COC(=O)C CNP0598796.0 [0,2,0,0,0,0|0,0,1]=3 565 B9R0.48 CCCC(=O)NCC(=O)O CNP0083880.0 [0,2,0,0,0,0|1,0,1]=4 566 B9R0.48 CCCC(=O)NCC(C)C CNP0405550.0 [0,2,0,0,0,0|1,0,0]=3 567 B9R0.48 CCCC(=O)OCC(C)C CNP0134371.0 [0,2,0,0,0,0|0,0,0]=2 568 B9R0.48 CCOC(=O)C=CC(C)C CNP0167612.0 [0,2,0,0,0,0|0,0,1]=3 569 B9R0.48 CCOC(=O)C=CN(C)C CNP0336666.0 [0,2,0,0,0,0|0,0,2]=4 570 B9R0.48 CCOC(=O)CCC(=O)C CNP0002491.0 [0,2,0,0,0,0|0,0,0]=2 571 B9R0.48 CCOC(=O)CCC(=O)N CNP0277152.0 [0,2,0,0,0,0|0,0,1]=3 572 B9R0.48 CCOC(=O)CCC(=O)O CNP0186824.0 [0,2,0,0,0,0|0,0,1]=3 573 B9R0.48 CCOC(=O)CCC(C)C CNP0084329.0 [0,2,0,0,0,0|0,0,0]=2 574 B9R0.48 CCOC(=O)CC[N+](=O)[O-] CNP0530407.0 [0,2,0,0,0,0|1,0,0]=3 575 B9R0.48 CCOC(=O)CC[S@+](C)[O-] CNP0541212.1 [0,2,0,0,0,0|0,0,0]=2 576 B9R0.48 CCSC(=O)CNC(=O)C CNP0507251.0 [0,2,0,0,0,0|0,1,1]=4 577 B9R0.6 C=C(C(=O)OCC)[C@@H](C)O CNP0184419.1 [0,2,0,0,0,0|0,0,1]=3 578 B9R0.6 CCOC(=O)C(=O)C(C)C CNP0303947.0 [0,2,0,0,0,0|0,0,1]=3 579 B9R0.6 CCOC(=O)C(=O)N(C)C CNP0355375.0 [0,2,0,0,0,0|1,0,1]=4 580 B9R0.6 CCOC(=O)C(C)C(=O)C CNP0103680.0 [0,2,0,0,0,0|0,0,1]=3 581 B9R0.6 CCOC(=O)C(C)C(C)S CNP0164740.0 [0,2,0,0,0,0|0,0,0]=2 582 B9R0.6 CCOC(=O)[C@@H](N)C(C)C CNP0535653.1 [0,2,0,0,0,0|0,0,0]=2 583 B9R0.6 CCOC(=O)[C@H](O)C(C)C CNP0170066.1 [0,2,0,0,0,0|0,0,0]=2 584 B9R0.19 CCOC(=O)C(C)(O)CC CNP0222840.0 [0,2,0,0,0,0|0,0,0]=2 585 B9R0.23 CC=C(C)C(=O)OC(C)C CNP0322856.0 [0,2,0,0,0,0|0,0,2]=4 586 B9R0.23 CCC(=O)C(=O)CC(C)C CNP0169073.0 [0,2,0,0,0,0|1,0,0]=3 587 B9R0.23 CC[C@@H](C)C(=O)OC(C)C CNP0190185.1 [0,2,0,0,0,0|0,0,0]=2 588 B9R0.23 COC(=O)C(=O)CC(C)C CNP0112927.0 [0,2,0,0,0,0|2,0,0]=4 589 B9R0.27 CCC(=O)C(=O)C(C)CC CNP0330922.0 [0,2,0,0,0,0|1,0,0]=3 590 B9R0.27 CCC(C)C(=O)C(=O)OC CNP0194521.0 [0,2,0,0,0,0|2,0,0]=4 591 B9R0.27 CCC(C)C(=O)C(C)CC CNP0499224.0 [0,2,0,0,0,0|1,0,0]=3 592 B9R0.37 CCCC(=O)C(=NO)CC CNP0136885.0 [0,2,0,0,0,0|1,0,0]=3 593 B9R0.37 CCOC(=O)C(=NO)SC CNP0076990.0 [0,2,0,0,0,0|1,0,1]=4 594 B9R0.37 CCOC(=O)C(CC)CC CNP0165107.0 [0,2,0,0,0,0|0,0,0]=2 595 B9R0.37 CCOC(=O)[C@@H](CC)NC CNP0599736.1 [0,2,0,0,0,0|0,0,0]=2 596 B9R0.37 CCOC(=O)[C@H](CC)NC CNP0599736.2 [0,2,0,0,0,0|0,0,0]=2 597 B9R0.44 CC(C)(C)OC(=O)CC#N CNP0077096.0 [0,2,0,0,0,0|1,0,1]=4 598 B9R0.44 CC=CC(=O)OC(C)(C)C CNP0118436.0 [0,2,0,0,0,0|0,0,2]=4 599 B9R0.44 CCOC(=O)CC(C)(C)O CNP0234032.0 [0,2,0,0,0,0|0,0,0]=2 600 B9R0.44 CCOC(=O)CS(=O)(=O)Cl CNP0190677.0 [0,2,0,0,0,0|2,0,0]=4 601 B9R0.53 CC(=CC(=O)OC(C)C)C CNP0228790.0 [0,2,0,0,0,0|0,0,2]=4 602 B9R0.53 CC(C)CC(=O)CC(C)C CNP0084478.0 [0,2,0,0,0,0|1,0,0]=3 603 B9R0.53 CC(C)CC(=O)OC(C)C CNP0311912.0 [0,2,0,0,0,0|0,0,0]=2 604 B9R0.53 CC(C)CC(=O)SC(C)C CNP0159406.0 [0,2,0,0,0,0|0,1,0]=3 605 B9R0.53 CC(C)NC(=O)NC(C)C CNP0313716.0 [0,2,0,0,0,0|2,0,0]=4 606 B9R0.53 CC(C)OP(=O)OC(C)C CNP0511332.0 [0,2,0,0,0,0|2,0,0]=4 607 B9R0.15 CCCC(CCC)C(=O)N CNP0104978.0 [0,2,0,0,0,0|1,0,1]=4 608 B9R0.15 CCCC(CCC)C(=O)O CNP0384704.0 [0,2,0,0,0,0|1,0,1]=4 609 B9R0.15 CCCC(CCC)C(=O)[O-] CNP0581160.0 [0,2,0,0,0,0|1,0,1]=4 610 B9R0.15 CCCC(CCC)C(=O)[O-] CNP0588550.0 [0,2,0,0,0,0|1,0,1]=4 611 B9R0.15 CCOC(OCC)C(=O)O CNP0318292.0 [0,2,0,0,0,0|1,0,1]=4 612 B9R0.59 C=CP(=O)(OCC)OCC CNP0022759.0 [0,2,0,0,0,0|2,0,0]=4 613 B9R0.59 CCOP(=O)(CCl)OCC CNP0106096.0 [0,2,0,0,0,0|2,0,0]=4 614 B9R0.59 CCOP(=O)(CO)OCC CNP0028827.0 [0,2,0,0,0,0|2,0,0]=4 615 B7R1.1 CCC1=CCCC1 CNP0080677.0 [1,0,0,1,0,0|1,0,0]=3 616 B7R1.1 CCC1CCCC1 CNP0273207.0 [1,0,0,1,0,0|1,0,1]=4 617 B7R1.1 CCC1OCCO1 CNP0566823.0 [1,0,0,1,0,0|0,0,2]=4 618 B7R1.2 CC1=CC(=O)CC1 CNP0317275.0 [1,0,0,1,0,0|0,0,2]=4 619 B7R1.2 CC1=CC(=O)OC1 CNP0565176.0 [1,0,0,1,0,0|0,0,2]=4 620 B7R1.2 CC1=CCC(=O)O1 CNP0256319.0 [1,0,0,1,0,0|0,0,2]=4 621 B7R1.2 CC1C=C(CC1)O CNP0082123.0 [1,0,0,1,0,0|0,0,2]=4 622 B7R1.2 CC1C=CC(=O)O1 CNP0003646.0 [1,0,0,1,0,0|0,0,2]=4 623 B7R1.2 CC1CCC(=O)C1 CNP0601005.0 [1,0,0,1,0,0|0,0,0]=2 624 B7R1.2 CC1CCC(=O)S1 CNP0014457.0 [1,0,0,1,0,0|0,1,0]=3 625 B7R1.2 CC1CCC(C1)O CNP0608388.0 [1,0,0,1,0,0|0,0,2]=4 626 B7R1.2 CC1CNC(=O)C1 CNP0609130.0 [1,0,0,1,0,0|1,0,0]=3 627 B7R1.2 CC1COC(=O)O1 CNP0609065.0 [1,0,0,1,0,0|1,0,0]=3 628 B7R1.2 C[C@@H]1CCC(=O)O1 CNP0123835.1 [1,0,0,1,0,0|0,0,0]=2 629 B7R1.2 C[C@@H]1CC[C@@H](C1)C CNP0177457.1 [1,0,0,1,0,0|1,0,1]=4 630 B7R1.2 C[C@@H]1CC[C@@H](O1)C CNP0230648.1 [1,0,0,1,0,0|1,0,1]=4 631 B7R1.2 C[C@@H]1COC(=O)C1 CNP0323281.1 [1,0,0,1,0,0|0,0,0]=2 632 B7R1.2 C[C@H]1CCC(=O)O1 CNP0123835.2 [1,0,0,1,0,0|0,0,0]=2 633 B7R1.2 C[C@H]1COC(=O)C1 CNP0323281.2 [1,0,0,1,0,0|0,0,0]=2 634 B7R1.2 C[C@H]1COC(=S)N1 CNP0279656.1 [1,0,0,1,0,0|1,1,0]=4 635 B7R1.2 O=C1CCC(=O)C1 CNP0171251.0 [1,0,0,1,0,0|1,0,1]=4 636 B7R1.2 O=C1CCC(=O)O1 CNP0079889.0 [1,0,0,1,0,0|1,0,1]=4 637 B7R1.2 O=C1CC[C@@H](N1)O CNP0286097.2 [1,0,0,1,0,0|2,0,0]=4 638 B7R1.2 O=C1CC[C@H](N1)O CNP0286097.1 [1,0,0,1,0,0|2,0,0]=4 639 B7R1.2 O=C1C[C@@H](CN1)O CNP0188830.1 [1,0,0,1,0,0|2,0,0]=4 640 B7R1.2 O=C1C[C@@H](CO1)O CNP0174638.1 [1,0,0,1,0,0|1,0,0]=3 641 B7R1.2 O=C1C[C@H](CN1)O CNP0188830.2 [1,0,0,1,0,0|2,0,0]=4 642 B7R1.2 O=C1C[C@H](CO1)O CNP0174638.2 [1,0,0,1,0,0|1,0,0]=3 643 B7R1.3 BrC1CCCCC1 CNP0085881.0 [1,0,0,1,0,0|1,0,1]=4 644 B7R1.3 C=C1CCCCC1 CNP0312009.0 [1,0,0,1,0,0|1,0,0]=3 645 B7R1.3 CC1=CCCCC1 CNP0369235.0 [1,0,0,1,0,0|1,0,1]=4 646 B7R1.3 CC1CCCCC1 CNP0191222.0 [1,0,0,1,0,0|1,0,1]=4 647 B7R1.3 CC1CCCCO1 CNP0292894.0 [1,0,0,1,0,0|1,0,1]=4 648 B7R1.3 CN1CCCCC1 CNP0325316.0 [1,0,0,1,0,0|2,0,0]=4 649 B7R1.3 NC1CCCCC1 CNP0149842.0 [1,0,0,1,0,0|1,0,1]=4 650 B7R1.3 O=C1C=CCCC1 CNP0212151.0 [1,0,0,1,0,0|0,0,2]=4 651 B7R1.3 O=C1CC=CCC1 CNP0481976.0 [1,0,0,1,0,0|0,0,2]=4 652 B7R1.3 O=C1CCC=CO1 CNP0002518.0 [1,0,0,1,0,0|0,0,2]=4 653 B7R1.3 O=C1CCCC=N1 CNP0335756.0 [1,0,0,1,0,0|1,0,1]=4 654 B7R1.3 O=C1CCCCC1 CNP0271526.0 [1,0,0,1,0,0|0,0,0]=2 655 B7R1.3 O=C1CCCCN1 CNP0142808.0 [1,0,0,1,0,0|1,0,0]=3 656 B7R1.3 O=C1CCCCO1 CNP0237404.0 [1,0,0,1,0,0|0,0,0]=2 657 B7R1.3 O=C1CCNCC1 CNP0212699.0 [1,0,0,1,0,0|1,0,0]=3 658 B7R1.3 O=C1COCCN1 CNP0517075.0 [1,0,0,1,0,0|2,0,0]=4 659 B7R1.3 OC1=CCCCC1 CNP0083987.0 [1,0,0,1,0,0|0,0,2]=4 660 B7R1.3 OC1=NCCCC1 CNP0547052.0 [1,0,0,1,0,0|1,0,1]=4 661 B7R1.3 OC1CCCCC1 CNP0213861.0 [1,0,0,1,0,0|0,0,2]=4 662 B7R1.3 S=C1NCCCO1 CNP0326797.0 [1,0,0,1,0,0|1,1,0]=4 663 B7R1.4 C=C1CCOC1=O CNP0195400.0 [1,0,0,1,0,0|0,0,2]=4 664 B7R1.4 CC1=C(CCC1)C CNP0231911.0 [1,0,0,1,0,0|1,0,1]=4 665 B7R1.4 CC1=CCCC1=O CNP0196465.0 [1,0,0,1,0,0|0,0,2]=4 666 B7R1.4 CC1=CCOC1=O CNP0216253.0 [1,0,0,1,0,0|0,0,2]=4 667 B7R1.4 CC1COCC1=O CNP0611227.0 [1,0,0,1,0,0|1,0,0]=3 668 B7R1.4 CC1SCCC1=O CNP0395315.0 [1,0,0,1,0,0|1,0,0]=3 669 B7R1.4 CN1CCCC1=O CNP0203476.0 [1,0,0,1,0,0|1,0,0]=3 670 B7R1.4 CN1CCOC1=S CNP0208839.0 [1,0,0,1,0,0|1,1,0]=4 671 B7R1.4 C[C@@H]1CCCC1=O CNP0165073.2 [1,0,0,1,0,0|0,0,0]=2 672 B7R1.4 C[C@@H]1CCC[C@@H]1C CNP0306021.2 [1,0,0,1,0,0|1,0,1]=4 673 B7R1.4 C[C@@H]1CCC[C@H]1C CNP0306021.3 [1,0,0,1,0,0|1,0,1]=4 674 B7R1.4 C[C@@H]1CCC[C@H]1O CNP0569064.1 [1,0,0,1,0,0|0,0,2]=4 675 B7R1.4 C[C@@H]1CCOC1=O CNP0290908.1 [1,0,0,1,0,0|0,0,0]=2 676 B7R1.4 C[C@@H]1OCCC1=O CNP0116291.1 [1,0,0,1,0,0|1,0,0]=3 677 B7R1.4 C[C@H]1CCCC1=O CNP0165073.1 [1,0,0,1,0,0|0,0,0]=2 678 B7R1.4 C[C@H]1CCC[C@@H]1C CNP0306021.1 [1,0,0,1,0,0|1,0,1]=4 679 B7R1.4 C[C@H]1CCOC1=O CNP0290908.2 [1,0,0,1,0,0|0,0,0]=2 680 B7R1.4 C[C@H]1OCCC1=O CNP0116291.2 [1,0,0,1,0,0|1,0,0]=3 681 B7R1.4 N[C@@H]1CCOC1=O CNP0258027.3 [1,0,0,1,0,0|1,0,0]=3 682 B7R1.4 N[C@H]1CCOC1=O CNP0258027.2 [1,0,0,1,0,0|1,0,0]=3 683 B7R1.4 N[C@H]1CCSC1=O CNP0082695.1 [1,0,0,1,0,0|1,1,0]=4 684 B7R1.4 O=C1CCCC1=O CNP0086052.0 [1,0,0,1,0,0|1,0,1]=4 685 B7R1.4 O=C1COCC1S CNP0188638.0 [1,0,0,1,0,0|2,0,0]=4 686 B7R1.4 O=C1NCC[C@H]1O CNP0289134.1 [1,0,0,1,0,0|2,0,0]=4 687 B7R1.5 CCC[C@@H]1O[C@@H]1C CNP0083069.1 [1,0,0,1,0,0|0,0,2]=4 688 B7R1.6 CCC[C@@H]1CCS1 CNP0328925.1 [1,0,0,1,0,0|0,1,1]=4 689 B7R1.8 CCC1CCC1O CNP0521190.0 [1,0,0,1,0,0|0,0,2]=4 690 B7R1.15 C[C@@H]1OC(=O)[C@@H]1N CNP0339409.1 [1,0,0,1,0,0|1,0,0]=3 691 B7R1.22 COC(=O)C1CC1 CNP0386382.0 [1,0,0,1,0,0|0,0,0]=2 692 B7R1.22 COC(=O)C1CS1 CNP0508742.0 [1,0,0,1,0,0|1,0,0]=3 693 B7R1.25 CCC1(CCC1)O CNP0591933.0 [1,0,0,1,0,0|0,0,2]=4 694 B7R1.24 C1CCCCCC1 CNP0223227.0 [1,0,0,1,0,0|1,0,1]=4 695 B9R1.2 CC[C@H]1CCCC(=O)O1 CNP0210303.1 [0,1,0,1,0,0|0,0,0]=2 696 B9R1.2 CNC1=CC(=O)CCC1 CNP0160818.0 [0,1,0,1,0,0|1,0,1]=4 697 B9R1.2 COC1=CC(=O)OCC1 CNP0195461.0 [0,1,0,1,0,0|0,0,2]=4 698 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [0,1,0,1,0,0|0,0,2]=4 699 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [0,1,0,1,0,0|0,0,2]=4 700 B9R1.2 CO[C@H]1CCCC(=O)N1 CNP0146387.1 [0,1,0,1,0,0|1,0,0]=3 701 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [0,1,0,1,0,0|0,0,2]=4 702 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [0,1,0,1,0,0|0,0,2]=4 703 B9R1.7 CCCC1=CN=C(O1)C CNP0059425.0 [0,1,0,1,0,0|1,0,1]=4 704 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [0,1,0,1,0,0|1,0,1]=4 705 B9R1.7 CCCC1=NC(=CO1)C CNP0002751.0 [0,1,0,1,0,0|1,0,1]=4 706 B9R1.7 CCCC1=NC=C(O1)C CNP0183724.0 [0,1,0,1,0,0|1,0,1]=4 707 B9R1.8 CCCC1=CCCCC1 CNP0080648.0 [0,1,0,1,0,0|2,0,0]=4 708 B9R1.8 CCCC1=NCCCC1 CNP0295908.0 [0,1,0,1,0,0|2,0,0]=4 709 B9R1.12 CCCCC1=CCCC1 CNP0610545.0 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [0,1,0,1,0,0|1,0,1]=4 711 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,1,0,1,0,0|1,0,0]=3 712 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.15 O=C1COCCC1CO CNP0612158.0 [0,1,0,1,0,0|1,0,0]=3 715 B9R1.22 CC1=CC(=O)O[C@H]1CO CNP0209931.1 [0,1,0,1,0,0|0,0,2]=4 716 B9R1.22 CC1C=C(C(=O)O1)CO CNP0506696.0 [0,1,0,1,0,0|1,0,1]=4 717 B9R1.22 CCC1OC(=O)CC1C CNP0611861.0 [0,1,0,1,0,0|0,0,0]=2 718 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O CNP0110439.1 [0,1,0,1,0,0|1,0,0]=3 719 B9R1.27 CC1=C(C(=O)CC1)CO CNP0391930.0 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.27 CC1=C(C(=O)OC1)CO CNP0215537.0 [0,1,0,1,0,0|1,0,1]=4 721 B9R1.27 CCC1=C(CCC1=O)C CNP0197955.0 [0,1,0,1,0,0|1,0,0]=3 722 B9R1.27 CCN1C(=O)CCC1=O CNP0304586.0 [0,1,0,1,0,0|1,0,1]=4 723 B9R1.27 CCN1C(=O)CCC1O CNP0578376.0 [0,1,0,1,0,0|1,0,0]=3 724 B9R1.27 COC1=C(CCC1=O)C CNP0163251.0 [0,1,0,1,0,0|2,0,0]=4 725 B9R1.27 C[C@@H]1CCC(=O)[C@@H]1CO CNP0207860.1 [0,1,0,1,0,0|2,0,0]=4 726 B9R1.27 C[C@H]1CCC(=O)[C@H]1CO CNP0207860.2 [0,1,0,1,0,0|2,0,0]=4 727 B9R1.48 CC1=CC(=O)NCCC1 CNP0425910.0 [0,1,0,1,0,0|1,0,1]=4 728 B9R1.48 CC1CCCCC(=O)C1 CNP0513414.0 [0,1,0,1,0,0|1,0,0]=3 729 B9R1.48 C[C@H]1CCCCC(=O)O1 CNP0109717.1 [0,1,0,1,0,0|0,0,0]=2 730 B9R1.48 O=C1CCCCC(=O)C1 CNP0554115.0 [0,1,0,1,0,0|1,0,1]=4 731 B9R1.48 O=C1CCCCC(=O)O1 CNP0322939.0 [0,1,0,1,0,0|0,0,1]=3 732 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,1,0,1,0,0|1,0,0]=3 734 B9R1.69 CC1=C(OC(=O)CC1)C CNP0612037.0 [0,1,0,1,0,0|0,0,1]=3 735 B9R1.69 CC1=CC(=O)OCC1O CNP0356511.0 [0,1,0,1,0,0|0,0,2]=4 736 B9R1.69 CC1C=CC(=O)CC1C CNP0611987.0 [0,1,0,1,0,0|1,0,0]=3 737 B9R1.69 CC1CC(=O)OCC1O CNP0415088.0 [0,1,0,1,0,0|0,0,0]=2 738 B9R1.69 CC1OC(C(CS1)C)C CNP0552382.0 [0,1,0,1,0,0|1,0,1]=4 739 B9R1.69 C[C@@H]1CCC(=O)O[C@H]1C CNP0250448.1 [0,1,0,1,0,0|0,0,0]=2 740 B9R1.69 C[C@@H]1CC[C@@H](C(=O)O1)C CNP0186029.3 [0,1,0,1,0,0|0,0,0]=2 741 B9R1.69 C[C@@H]1CC[C@@H](OC1=O)C CNP0186029.1 [0,1,0,1,0,0|0,0,0]=2 742 B9R1.69 C[C@@H]1CC[C@H](C(=O)O1)C CNP0186029.2 [0,1,0,1,0,0|0,0,0]=2 743 B9R1.69 C[C@@H]1OC(=O)C=C[C@H]1O CNP0277618.1 [0,1,0,1,0,0|0,0,2]=4 744 B9R1.69 C[C@@H]1OC(=O)CC[C@@H]1C CNP0250448.2 [0,1,0,1,0,0|0,0,0]=2 745 B9R1.69 C[C@@H]1O[C@H](CC[C@@H]1O)O CNP0422647.2 [0,1,0,1,0,0|0,0,2]=4 746 B9R1.69 C[C@@H]1O[C@H](CC[C@H]1O)O CNP0422647.1 [0,1,0,1,0,0|0,0,2]=4 747 B9R1.69 C[C@H]1OC(=O)C=C[C@@H]1O CNP0277618.2 [0,1,0,1,0,0|0,0,2]=4 748 B9R1.69 C[C@H]1OC(=O)C=C[C@H]1O CNP0277618.3 [0,1,0,1,0,0|0,0,2]=4 749 B9R1.69 C[C@H]1O[C@H](CC[C@@H]1O)O CNP0422647.3 [0,1,0,1,0,0|0,0,2]=4 750 B9R1.69 O=C1C[C@H]([C@H](CO1)O)O CNP0254942.1 [0,1,0,1,0,0|1,0,0]=3 751 B9R1.183 CCOC(=O)C1OC1C CNP0611901.0 [0,1,0,1,0,0|0,0,0]=2 752 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,1,0,1,0,0|1,0,0]=3 753 B9R1.3 O=C1NCC[C@@H]([C@@H]1Cl)O CNP0556775.3 [0,1,0,1,0,0|2,0,0]=4 754 B9R1.3 O=C1NCC[C@@H]([C@H]1Cl)O CNP0556775.4 [0,1,0,1,0,0|2,0,0]=4 755 B9R1.3 O=C1NCC[C@@H]([C@H]1O)O CNP0519609.1 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O CNP0556775.2 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.3 O=C1NCC[C@H]([C@H]1Cl)O CNP0556775.1 [0,1,0,1,0,0|2,0,0]=4 758 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,1,0,1,0,0|1,0,0]=3 759 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,1,0,1,0,0|0,0,0]=2 760 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,1,0,1,0,0|1,0,0]=3 761 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [0,1,0,1,0,0|2,0,0]=4 762 B9R1.11 CCC(C)C1OCCO1 CNP0407840.0 [0,1,0,1,0,0|0,0,2]=4 763 B9R1.11 CC[C@@H](C)C1=NCCS1 CNP0290095.1 [0,1,0,1,0,0|1,1,0]=4 764 B9R1.37 C=C1C(=O)O[C@H]([C@@H]1O)C CNP0480925.1 [0,1,0,1,0,0|1,0,1]=4 765 B9R1.37 CC1=C(C(=O)C[C@H]1C)O CNP0318056.1 [0,1,0,1,0,0|1,0,1]=4 766 B9R1.37 CC1=C(C(=O)O[C@@H]1C)N CNP0137917.1 [0,1,0,1,0,0|0,0,2]=4 767 B9R1.37 CC1=C(C(=O)O[C@@H]1C)O CNP0413738.1 [0,1,0,1,0,0|0,0,2]=4 768 B9R1.37 CC1=C(C(=O)O[C@H]1C)O CNP0413738.2 [0,1,0,1,0,0|0,0,2]=4 769 B9R1.37 CC1=C(C(C(=O)O1)O)C CNP0600080.0 [0,1,0,1,0,0|0,0,2]=4 770 B9R1.37 CC1=C([C@H](OC1=O)C)C CNP0229013.1 [0,1,0,1,0,0|0,0,2]=4 771 B9R1.37 CC1=CC(=O)C(C1C)C CNP0591733.0 [0,1,0,1,0,0|1,0,1]=4 772 B9R1.37 C[C@@H]1CC(=O)C(=O)[C@H]1C CNP0172113.1 [0,1,0,1,0,0|1,0,0]=3 773 B9R1.37 C[C@@H]1CC(=O)[C@@H]([C@H]1O)O CNP0411690.1 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.37 C[C@@H]1OC(=O)C(C1O)O CNP0227310.1 [0,1,0,1,0,0|1,0,0]=3 775 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O CNP0227310.2 [0,1,0,1,0,0|1,0,0]=3 776 B9R1.37 C[C@H]1[C@@H](C(=O)O[C@@H]1C)N CNP0418917.1 [0,1,0,1,0,0|0,0,0]=2 777 B9R1.74 CCOC(=O)C1(CC1)N CNP0409533.0 [0,1,0,1,0,0|0,0,0]=2 778 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,1,0,1,0,0|1,0,0]=3 779 B9R1.202 CCC1(CCOC1=O)C CNP0050181.0 [0,1,0,1,0,0|0,0,0]=2 780 B9R1.202 CCC1(CCSC1=O)C CNP0109603.0 [0,1,0,1,0,0|0,1,0]=3 781 B9R1.202 O=C1OCC[C@@]1(O)CO CNP0229397.1 [0,1,0,1,0,0|1,0,0]=3 782 B9R1.13 CC(C)CC1=CCCC1 CNP0610558.0 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.34 CC1=CC(=O)CC(C1)C CNP0386862.0 [0,1,0,1,0,0|1,0,1]=4 784 B9R1.34 CC1CC(OC(=N1)S)C CNP0608703.0 [0,1,0,1,0,0|1,1,0]=4 785 B9R1.34 CC1CC(OC(=S)N1)C CNP0132039.0 [0,1,0,1,0,0|1,1,0]=4 786 B9R1.34 CC1OC(=O)CC(=O)O1 CNP0094345.0 [0,1,0,1,0,0|1,0,1]=4 787 B9R1.34 C[C@@H]1CC(=CC(=O)O1)O CNP0195692.1 [0,1,0,1,0,0|0,0,2]=4 788 B9R1.34 C[C@@H]1C[C@H](CC(=O)O1)O CNP0232226.2 [0,1,0,1,0,0|0,0,0]=2 789 B9R1.34 C[C@H]1CC(=CC(=O)O1)O CNP0195692.2 [0,1,0,1,0,0|0,0,2]=4 790 B9R1.34 C[C@H]1C[C@@H](CC(=O)O1)O CNP0232226.1 [0,1,0,1,0,0|0,0,0]=2 791 B9R1.38 CC1(OC(=O)C[C@H]1O)C CNP0199015.1 [0,1,0,1,0,0|1,0,0]=3 792 B9R1.38 CC1=CC(=O)CC1(C)C CNP0611990.0 [0,1,0,1,0,0|1,0,1]=4 793 B9R1.41 CC(=O)C1CCOC1=O CNP0411848.0 [0,1,0,1,0,0|0,0,1]=3 794 B9R1.41 CC(C)[C@@H]1CCCC1=O CNP0314072.2 [0,1,0,1,0,0|1,0,0]=3 795 B9R1.41 CC(C)[C@H]1CCCC1=O CNP0314072.1 [0,1,0,1,0,0|1,0,0]=3 796 B9R1.66 CC1(C=C(CCC1)O)C CNP0082060.0 [0,1,0,1,0,0|1,0,1]=4 797 B9R1.66 C[C@@]1(CCOC(=O)C1)O CNP0242599.2 [0,1,0,1,0,0|0,0,0]=2 798 B9R1.66 C[C@]1(CCOC(=O)C1)O CNP0242599.1 [0,1,0,1,0,0|0,0,0]=2 799 B9R1.14 CC[C@@H]1CCC=C1CO CNP0229914.1 [0,1,0,1,0,0|1,0,1]=4 800 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [0,1,0,1,0,0|1,0,1]=4 801 B9R1.14 CC[C@H]1CCC=C1C=O CNP0161388.1 [0,1,0,1,0,0|1,0,0]=3 802 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [0,1,0,1,0,0|1,0,1]=4 803 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 CNP0573835.1 [0,0,0,2,0,0|1,0,0]=3 804 B9R2.109 O=C1CCCC2C1O2 CNP0592091.0 [0,0,0,2,0,0|2,0,0]=4 805 B9R2.109 O=C1NCCC2C1C2 CNP0426975.0 [0,0,0,2,0,0|1,0,0]=3 806 B9R2.109 O=C1NCC[C@H]2[C@@H]1O2 CNP0461843.1 [0,0,0,2,0,0|2,0,0]=4 807 B9R2.7 O=C1C[C@@H]2N1CCO2 CNP0343066.1 [0,0,0,2,0,0|2,0,0]=4 808 B9R2.7 O=C1C[C@@H]2N1CCS2 CNP0364303.1 [0,0,0,2,0,0|2,0,0]=4