0 B8R0.6 C=CC(=O)CC=CCC CNP0046682.0 [0,0,0,0,0,0|1,0,3]=4 1 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.6 C=C[C@@H](O)/C=C/CCC CNP0182495.1 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,0,0,0,0,0|0,0,2]=2 6 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,0,0,0,0,0|0,0,2]=2 7 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,0,0,0,0,0|1,0,0]=1 8 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,0,0,0,0,0|0,0,0]=0 9 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,0,0,0,0,0|3,0,1]=4 10 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,0,0,0,0,0|0,0,2]=2 13 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,0,0,0,0,0|0,1,2]=3 14 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,0,0,0,0,0|2,0,2]=4 16 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,0,0,0,0,0|1,0,0]=1 17 B8R0.6 CCOC=CC(=O)C=O CNP0344823.0 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,0,0,0,0,0|1,0,2]=3 20 B7R0.1 C#CC=CCCCC CNP0076122.0 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.1 C=CC=CC=CCC CNP0261432.0 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,0,0,0,0,0|1,0,2]=4 23 B7R0.1 CC=CC=CC=CC CNP0185443.0 [1,0,0,0,0,0|1,0,2]=4 24 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,0,0,0,0|1,0,0]=2 25 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.1 CC=CCSCCC CNP0536250.0 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.1 CC=CSSCCC CNP0421889.0 [1,0,0,0,0,0|3,0,0]=4 28 B7R0.1 CCC=CC=CC=O CNP0276667.0 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.1 CCC=CC=CCC CNP0546897.0 [1,0,0,0,0,0|1,0,1]=3 30 B7R0.1 CCC=CC=CCO CNP0332799.0 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,0,0,0,0|1,0,1]=3 32 B7R0.1 CCC=CCCCO CNP0003503.0 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.1 CCCC=CC=CO CNP0524724.0 [1,0,0,0,0,0|2,0,0]=3 34 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.1 CCCC=CCCC CNP0541880.0 [1,0,0,0,0,0|1,0,1]=3 36 B7R0.1 CCCC=CCCO CNP0287313.0 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.1 CCCCC=CCO CNP0191159.0 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.3 C=CC(=CCCC)C CNP0605951.0 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,0,0,0,0,0|0,0,3]=4 43 B7R0.3 CCC(=O)C=CC=O CNP0194060.0 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,0,0,0,0|3,0,0]=4 46 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,0,0,0,0|1,0,0]=2 47 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|0,0,1]=2 50 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,0,0,0,0|1,0,1]=3 52 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.3 CNC(=O)C=CSC CNP0255894.0 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.3 COC(=O)C=CC#N CNP0257494.0 [1,0,0,0,0,0|1,0,1]=3 55 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,0,0,0,0,0|1,0,2]=4 56 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,0,0,0,0,0|1,0,2]=4 57 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,0,0,0,0|1,0,1]=3 58 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.4 C=C(C)C=CC=CC CNP0393137.0 [1,0,0,0,0,0|1,0,2]=4 60 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.4 CC=CC=CC(=O)C CNP0332734.0 [1,0,0,0,0,0|0,0,2]=3 63 B7R0.4 CC=CC=CC(=O)O CNP0333361.0 [1,0,0,0,0,0|0,0,2]=3 64 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,0,0,0,0,0|0,0,2]=3 65 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,0,0,0,0,0|0,0,2]=3 66 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,0,0,0,0,0|0,0,0]=1 67 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,0,0,0,0,0|0,0,0]=1 68 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,0,0,0,0|0,0,2]=3 69 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,0,0,0,0|1,0,2]=4 70 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,0,0,0,0|0,0,2]=3 71 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,0,0,0,0|0,1,2]=4 72 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,0,0,0,0|0,0,2]=3 73 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,0,0,0,0|1,0,1]=3 74 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,0,0,0,0,0|2,0,0]=3 75 B7R0.4 CCOCC=C(C)C CNP0002719.0 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,0,0,0,0|1,0,2]=4 77 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,0,0,0,0|1,0,2]=4 78 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,0,0,0,0|1,0,2]=4 79 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,0,0,0,0|1,0,2]=4 80 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,0,0,0,0,0|2,0,1]=4 81 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,0,0,0,0|1,0,2]=4 82 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,0,0,0,0,0|2,0,1]=4 83 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,0,0,0,0|1,0,2]=4 84 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,0,0,0,0,0|2,0,1]=4 85 B9R0.1 CC=C(C)C=CCC(C)C CNP0113285.0 [0,1,0,0,0,0|2,0,0]=3 86 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,1,0,0,0,0|1,0,0]=2 87 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,1,0,0,0,0|0,0,3]=4 89 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,1,0,0,0,0|0,0,2]=3 90 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,1,0,0,0,0|1,0,2]=4 91 B9R0.5 C=COC(=O)C=CC=CC CNP0588574.0 [0,1,0,0,0,0|0,0,3]=4 92 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,1,0,0,0,0|0,0,3]=4 93 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,1,0,0,0,0|1,0,0]=2 94 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,1,0,0,0,0|1,0,2]=4 95 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,1,0,0,0,0|2,0,1]=4 96 B9R0.5 CC=CC=CC(=O)OCC CNP0002481.0 [0,1,0,0,0,0|0,0,2]=3 97 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,1,0,0,0,0|0,0,2]=3 98 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,1,0,0,0,0|0,0,0]=1 99 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,1,0,0,0,0|1,0,2]=4 100 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,1,0,0,0,0|1,0,2]=4 101 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,1,0,0,0,0|0,0,2]=3 102 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,1,0,0,0,0|2,0,1]=4 103 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,1,0,0,0,0|1,0,2]=4 104 B9R0.8 CC=C(C)C(=O)OCCC CNP0003448.0 [0,1,0,0,0,0|3,0,0]=4 105 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,1,0,0,0,0|0,0,1]=2 106 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,1,0,0,0,0|1,0,2]=4 107 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,1,0,0,0,0|0,0,2]=3 108 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [0,1,0,0,0,0|1,0,2]=4 109 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,1,0,0,0,0|1,0,2]=4 110 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,1,0,0,0,0|1,0,2]=4 111 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,1,0,0,0,0|2,0,1]=4 112 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,1,0,0,0,0|0,0,2]=3 113 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [0,1,0,0,0,0|0,0,0]=1 114 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [0,1,0,0,0,0|0,0,0]=1 115 B9R0.24 COC(=O)C=CC(=O)OC CNP0328522.0 [0,1,0,0,0,0|1,0,1]=3 116 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,1,0,0,0,0|2,0,1]=4 117 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,1,0,0,0,0|0,0,2]=3 118 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,1,0,0,0,0|0,0,2]=3 119 B9R0.34 COC(=O)C=C(C)CCO CNP0161567.0 [0,1,0,0,0,0|1,0,0]=2 120 B9R0.46 CCC(=O)C=CC=CCO CNP0451824.0 [0,1,0,0,0,0|1,0,2]=4 121 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [0,1,0,0,0,0|0,0,2]=3 122 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,1,0,0,0,0|0,0,0]=1 123 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,1,0,0,0,0|1,0,2]=4 124 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,1,0,0,0,0|0,0,2]=3 125 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,1,0,0,0,0|1,0,2]=4 126 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,1,0,0,0,0|1,0,2]=4 128 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,1,0,0,0,0|1,0,2]=4 129 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,1,0,0,0,0|2,0,1]=4 130 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,1,0,0,0,0|2,0,1]=4 131 B9R0.50 CCCC=CC(OC)OC CNP0003291.0 [0,1,0,0,0,0|0,0,2]=3 132 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,1,0,0,0,0|1,0,1]=3 133 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,0,0,1,0,0|1,0,2]=4 134 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,0,0,1,0,0|2,0,1]=4 135 B9R1.2 COC1=CC=CC(=C1)C CNP0354375.0 [0,0,0,1,0,0|1,0,2]=4 136 B9R1.3 C[C@@H]1OC=CC(=O)C1=O CNP0313434.1 [0,0,0,1,0,0|3,0,0]=4 137 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,0,1,0,0|1,0,2]=4 138 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,0,1,0,0|2,0,1]=4 139 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,0,0,1,0,0|1,0,0]=2 140 B9R1.7 CCCC1=COC(=N1)C CNP0002752.0 [0,0,0,1,0,0|2,0,1]=4 141 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,0,0,1,0,0|2,0,1]=4 142 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.11 COC(=O)C1=CC=CN1 CNP0239045.0 [0,0,0,1,0,0|1,0,2]=4 144 B9R1.11 COC(=O)C1=CC=CO1 CNP0272116.0 [0,0,0,1,0,0|1,0,2]=4 145 B9R1.11 COC(=O)C1=COC=C1 CNP0209204.0 [0,0,0,1,0,0|1,0,2]=4 146 B9R1.11 COC(=O)C1=CSN=N1 CNP0045688.0 [0,0,0,1,0,0|3,0,0]=4 147 B9R1.11 COC(=O)C1=NNC=C1 CNP0060175.0 [0,0,0,1,0,0|2,0,1]=4 148 B9R1.11 COC(=O)N1C=CCC1 CNP0029534.0 [0,0,0,1,0,0|1,0,1]=3 149 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,0,0,1,0,0|0,0,2]=3 150 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,0,0,1,0,0|1,0,1]=3 151 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,1,0,0|1,0,2]=4 152 B6R0.6 C=CC=CCCC CNP0526826.0 [2,0,0,0,0,0|0,0,1]=3 153 B6R0.6 CC=CC=CC=O CNP0182801.0 [2,0,0,0,0,0|0,0,2]=4 154 B6R0.6 CC=CC=CCC CNP0608489.0 [2,0,0,0,0,0|0,0,1]=3 155 B6R0.6 CC=CC=CCO CNP0292375.0 [2,0,0,0,0,0|1,0,1]=4 156 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|0,0,1]=3 157 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|1,0,1]=4 158 B6R0.6 CC=CCSCC CNP0575773.0 [2,0,0,0,0,0|1,0,1]=4 159 B6R0.6 CC=CSCCC CNP0320861.0 [2,0,0,0,0,0|1,0,0]=3 160 B6R0.6 CC=CSSCC CNP0418756.0 [2,0,0,0,0,0|2,0,0]=4 161 B6R0.6 CCC=C=CC=O CNP0611366.0 [2,0,0,0,0,0|0,0,2]=4 162 B6R0.6 CCC=C=CCC CNP0518397.0 [2,0,0,0,0,0|1,0,1]=4 163 B6R0.6 CCC=CCC=O CNP0227189.0 [2,0,0,0,0,0|0,0,2]=4 164 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|0,0,1]=3 165 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|1,0,1]=4 166 B6R0.6 CCCC=CC=O CNP0263913.0 [2,0,0,0,0,0|0,0,0]=2 167 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|0,0,1]=3 168 B6R0.6 CCCC=CNO CNP0162409.0 [2,0,0,0,0,0|1,0,0]=3 169 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|0,0,1]=3 170 B6R0.6 CCCCC=NO CNP0149695.0 [2,0,0,0,0,0|1,0,1]=4 171 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,0,2]=4 172 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|0,0,2]=4 173 B6R0.6 CCCCNC=O CNP0082472.0 [2,0,0,0,0,0|1,0,1]=4 174 B6R0.6 CCCCOC=O CNP0282325.0 [2,0,0,0,0,0|1,0,1]=4 175 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|1,0,1]=4 176 B6R0.1 CC=CC(=CC)C CNP0535908.0 [2,0,0,0,0,0|2,0,0]=4 177 B6R0.1 CC=CC(=O)CC CNP0127812.0 [2,0,0,0,0,0|1,0,0]=3 178 B6R0.1 CC=CC(=O)OC CNP0003452.0 [2,0,0,0,0,0|0,0,0]=2 179 B6R0.1 CC=CS(=S)OC CNP0560483.0 [2,0,0,0,0,0|1,1,0]=4 180 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|2,0,0]=4 183 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|1,0,0]=3 184 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|2,0,0]=4 185 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|0,0,0]=2 186 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|0,1,0]=3 187 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|2,0,0]=4 188 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|1,0,0]=3 189 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|2,0,0]=4 190 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|2,0,0]=4 191 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|2,0,0]=4 192 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.1 COC(=O)C=CBr CNP0321764.0 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.1 COC(=O)C=CI CNP0190700.0 [2,0,0,0,0,0|1,0,0]=3 195 B6R0.1 COC(=O)C=NO CNP0235637.0 [2,0,0,0,0,0|2,0,0]=4 196 B6R0.1 COC(=O)CC=O CNP0187576.0 [2,0,0,0,0,0|1,0,1]=4 197 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|1,0,0]=3 198 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|1,0,0]=3 199 B6R0.4 C=CC=CC(=O)O CNP0076475.0 [2,0,0,0,0,0|0,0,2]=4 200 B6R0.4 CC(=CCCN)C CNP0568876.0 [2,0,0,0,0,0|2,0,0]=4 201 B6R0.4 CC(=CCCO)C CNP0410779.0 [2,0,0,0,0,0|2,0,0]=4 202 B6R0.4 CC(=O)NCCN CNP0182526.0 [2,0,0,0,0,0|2,0,0]=4 203 B6R0.4 CC(=O)NCCO CNP0304709.0 [2,0,0,0,0,0|2,0,0]=4 204 B6R0.4 CC(=O)NCCS CNP0516453.0 [2,0,0,0,0,0|2,0,0]=4 205 B6R0.4 CC(=O)OCCI CNP0274212.0 [2,0,0,0,0,0|2,0,0]=4 206 B6R0.4 CC(=O)OCCN CNP0165405.0 [2,0,0,0,0,0|2,0,0]=4 207 B6R0.4 CC(=O)OCCO CNP0589275.0 [2,0,0,0,0,0|2,0,0]=4 208 B6R0.4 CC=CC=C(C)C CNP0318303.0 [2,0,0,0,0,0|1,0,1]=4 209 B6R0.4 CC=CCC(=O)O CNP0610144.0 [2,0,0,0,0,0|0,0,2]=4 210 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|0,0,0]=2 211 B6R0.4 CCC=CC(=O)O CNP0185292.0 [2,0,0,0,0,0|0,0,0]=2 212 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|0,0,1]=3 213 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,1]=3 214 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,1]=4 215 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|0,0,1]=3 216 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|0,0,1]=3 217 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,0]=3 218 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|1,0,0]=3 219 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|1,0,0]=3 220 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|1,0,1]=4 221 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,1]=4 222 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|1,0,1]=4 223 B6R0.4 COCC=C(C)C CNP0493784.0 [2,0,0,0,0,0|2,0,0]=4 224 B6R0.4 CSC=CC(=O)N CNP0140289.0 [2,0,0,0,0,0|2,0,0]=4 225 B6R0.4 CSC=CC(=O)O CNP0140653.0 [2,0,0,0,0,0|1,0,0]=3 226 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|1,0,1]=4 227 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|1,0,1]=4 228 B6R0.4 CSCSC(=O)C CNP0232862.0 [2,0,0,0,0,0|2,0,0]=4 229 B6R0.4 NCC=CC(=O)O CNP0250683.0 [2,0,0,0,0,0|1,0,0]=3 230 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|1,0,1]=4 231 B6R0.4 O=C(O)C=CCO CNP0097506.0 [2,0,0,0,0,0|1,0,0]=3 232 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|1,0,1]=4 233 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,1,0,0,0,0|1,0,1]=4 234 B8R0.4 CC=CC=CCCCO CNP0492923.0 [1,1,0,0,0,0|1,0,0]=3 235 B8R0.4 CCC=CC=CCCO CNP0339953.0 [1,1,0,0,0,0|1,0,1]=4 236 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,1,0,0,0,0|1,0,1]=4 237 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,1,0,0,0,0|1,0,1]=4 238 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [1,1,0,0,0,0|1,0,1]=4 239 B8R0.4 CCCC=CC=CCO CNP0175481.0 [1,1,0,0,0,0|1,0,0]=3 240 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,1,0,0,0,0|1,0,1]=4 241 B8R0.4 CCCC=CCCCO CNP0085599.0 [1,1,0,0,0,0|1,0,1]=4 242 B8R0.4 CCCC=CCOC=O CNP0131807.0 [1,1,0,0,0,0|0,0,2]=4 243 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,1,0,0,0,0|1,0,1]=4 244 B8R0.4 CCCCC=COC=O CNP0604660.0 [1,1,0,0,0,0|0,0,2]=4 245 B8R0.7 CC/C=C/C=C/[C@H](C)O CNP0374184.1 [1,1,0,0,0,0|1,0,1]=4 246 B8R0.7 CCC=C=CCC(C)C CNP0589849.0 [1,1,0,0,0,0|1,0,1]=4 247 B8R0.7 CCC=CC=CC(=O)C CNP0389633.0 [1,1,0,0,0,0|1,0,1]=4 248 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,1,0,0,0,0|1,0,1]=4 249 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [1,1,0,0,0,0|1,0,1]=4 250 B8R0.3 CCC=C(C)C(=O)CC CNP0523959.0 [1,1,0,0,0,0|1,0,0]=3 251 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,1,0,0,0,0|1,0,0]=3 252 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|1,0,1]=4 253 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|1,0,1]=4 254 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|0,0,1]=3 255 B8R0.3 CCOC(=O)C(=O)CC CNP0506120.0 [1,1,0,0,0,0|2,0,0]=4 256 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [1,1,0,0,0,0|1,0,1]=4 257 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [1,1,0,0,0,0|1,0,1]=4 258 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [1,1,0,0,0,0|1,0,1]=4 259 B8R0.8 CCCC=C(C)C(=O)C CNP0077419.0 [1,1,0,0,0,0|2,0,0]=4 260 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,1,0,0,0,0|1,0,1]=4 261 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|1,0,1]=4 262 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|1,0,1]=4 263 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|1,0,1]=4 264 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [1,1,0,0,0,0|2,0,0]=4 265 B8R0.9 CCC(=O)C=CC(=O)C CNP0247275.0 [1,1,0,0,0,0|1,0,1]=4 266 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|1,0,1]=4 267 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|1,0,1]=4 268 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,1,0,0,0,0|2,0,0]=4 269 B8R0.9 CNC(=O)/C=C/[S@@+](C)[O-] CNP0536692.1 [1,1,0,0,0,0|2,0,0]=4 270 B8R0.9 CNC(=O)/C=C/[S@@H+](C)[O-] CNP0584087.2 [1,1,0,0,0,0|2,0,0]=4 271 B8R0.9 CNC(=O)/C=C\[S@@+](C)[O-] CNP0536692.2 [1,1,0,0,0,0|2,0,0]=4 272 B8R0.9 CNC(=O)/C=C\[S@@H+](C)[O-] CNP0584087.1 [1,1,0,0,0,0|2,0,0]=4 273 B8R0.9 COC(=O)C=CC(=O)N CNP0302670.0 [1,1,0,0,0,0|1,0,1]=4 274 B8R0.9 COC(=O)C=CC(=O)O CNP0273242.0 [1,1,0,0,0,0|1,0,1]=4 275 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [1,1,0,0,0,0|0,0,2]=4 276 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,1,0,0,0,0|0,0,2]=4 277 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,1,0,0,0,0|0,0,1]=3 278 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,1,0,0,0,0|0,1,1]=4 279 B8R0.11 C=CC(=CCCC)C=O CNP0610785.0 [1,1,0,0,0,0|1,0,1]=4 280 B8R0.11 CC=C(C=O)C=CCC CNP0281953.0 [1,1,0,0,0,0|1,0,0]=3 281 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [1,1,0,0,0,0|1,0,1]=4 282 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [1,1,0,0,0,0|1,0,0]=3 283 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [1,1,0,0,0,0|0,0,2]=4 284 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [1,1,0,0,0,0|0,0,0]=2 285 B8R0.19 CCC(=O)C=C(C)CC CNP0594723.0 [1,1,0,0,0,0|1,0,0]=3 286 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|1,0,1]=4 287 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|1,0,1]=4 288 B8R0.19 CCC(=O)OC(=O)CC CNP0221754.0 [1,1,0,0,0,0|2,0,0]=4 289 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|2,0,0]=4 290 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|0,0,1]=3 291 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|0,0,1]=3 292 B8R0.19 CNC(=CC(=O)OC)C CNP0390582.0 [1,1,0,0,0,0|1,0,0]=3 293 B8R0.19 CNC(=O)NC(=O)OC CNP0277536.0 [1,1,0,0,0,0|2,0,0]=4 294 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [1,1,0,0,0,0|1,0,1]=4 295 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|1,0,1]=4 296 B8R0.19 COC(=O)OC(=O)OC CNP0163247.0 [1,1,0,0,0,0|2,0,0]=4 297 B8R0.5 CC(=CC(=O)O)CCO CNP0227201.0 [1,1,0,0,0,0|1,0,0]=3 298 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [1,1,0,0,0,0|0,0,0]=2 299 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [1,1,0,0,0,0|0,0,0]=2 300 B8R0.5 CCCC(=O)C=C(C)C CNP0207293.0 [1,1,0,0,0,0|1,0,0]=3 301 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,1,0,0,0,0|0,0,1]=3 302 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [1,1,0,0,0,0|0,0,1]=3 303 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|0,0,2]=4 304 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,1,0,0,0,0|0,0,2]=4 305 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,1,0,0,0,0|0,0,2]=4 306 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,1,0,0,0,0|1,0,1]=4 307 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,1,0,0,0,0|0,0,2]=4 308 B8R0.5 CCOC(=O)C=C(C)C CNP0502082.0 [1,1,0,0,0,0|2,0,0]=4 309 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [1,1,0,0,0,0|1,0,1]=4 310 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [1,1,0,0,0,0|1,0,1]=4 311 B8R0.28 C=C(C)C=CCC(=C)C CNP0611898.0 [1,1,0,0,0,0|1,0,1]=4 312 B8R0.28 CC(=CC=CC(C)C)C CNP0313251.0 [1,1,0,0,0,0|1,0,1]=4 313 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [1,1,0,0,0,0|1,0,1]=4 314 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [1,1,0,0,0,0|1,0,1]=4 315 B8R0.28 CC(=O)C=CC=C(C)C CNP0275973.0 [1,1,0,0,0,0|0,0,2]=4 316 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [1,1,0,0,0,0|0,0,0]=2 317 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,1,0,0,0,0|0,0,2]=4 318 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [1,1,0,0,0,0|1,0,1]=4 319 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [1,1,0,0,0,0|1,0,1]=4 320 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [1,1,0,0,0,0|1,0,1]=4 321 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [1,1,0,0,0,0|0,0,2]=4 322 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [1,1,0,0,0,0|0,0,2]=4 323 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [1,1,0,0,0,0|0,0,0]=2 324 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [1,1,0,0,0,0|0,0,2]=4 325 B8R0.28 O=C(O)C=CCC(=O)O CNP0111503.0 [1,1,0,0,0,0|1,0,1]=4 326 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,2,0,0,0,0|0,0,0]=2 327 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,2,0,0,0,0|0,0,2]=4 328 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,2,0,0,0,0|0,0,2]=4 329 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [0,2,0,0,0,0|1,0,1]=4 330 B10R0.44 COC(=O)C=C(C)NC(=O)C CNP0034645.0 [0,2,0,0,0,0|1,0,1]=4 331 B10R0.57 COC(=O)C(=COC(=O)C)C CNP0073278.0 [0,2,0,0,0,0|1,0,1]=4 332 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,2,0,0,0,0|0,0,2]=4 333 B10R0.1 CCCC=COC(=O)CCC CNP0575733.0 [0,2,0,0,0,0|1,0,0]=3 334 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,2,0,0,0,0|0,0,0]=2 335 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,2,0,0,0,0|0,0,2]=4 336 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,2,0,0,0,0|0,0,2]=4 337 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,2,0,0,0,0|0,0,1]=3 338 B10R0.2 CCCC(=O)OC(=O)CCC CNP0001510.0 [0,2,0,0,0,0|2,0,0]=4 339 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,2,0,0,0,0|0,0,2]=4 340 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [0,2,0,0,0,0|1,0,1]=4 341 B10R0.2 CCOC(=O)OC(=O)OCC CNP0003163.0 [0,2,0,0,0,0|2,0,0]=4 342 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,2,0,0,0,0|0,0,2]=4 343 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,2,0,0,0,0|0,0,2]=4 344 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,2,0,0,0,0|0,0,2]=4 345 B10R0.24 CCCCC=C(C=O)CCC CNP0589946.0 [0,2,0,0,0,0|1,0,1]=4 346 B10R0.83 COC(=O)C(N)CCCCN CNP0071113.0 [0,2,0,0,0,0|0,0,2]=4 347 B10R0.91 C=CCOC(=O)C=CC=CC CNP0002918.0 [0,2,0,0,0,0|0,0,2]=4 348 B10R0.91 C=CCOC(=O)C=CCCC CNP0004248.0 [0,2,0,0,0,0|0,0,0]=2 349 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,2,0,0,0,0|0,0,2]=4 350 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,2,0,0,0,0|0,0,2]=4 351 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,2,0,0,0,0|0,0,2]=4 352 B10R0.108 C=C(CCBr)CCC(=O)OC CNP0344449.0 [0,2,0,0,0,0|1,0,1]=4 353 B10R0.46 CCC(=O)/C(=C/[C@@H](C)CC)/C CNP0207497.1 [0,2,0,0,0,0|1,0,0]=3 354 B10R0.46 COC(=O)C=C(C)C(=O)OC CNP0198897.0 [0,2,0,0,0,0|1,0,1]=4 355 B10R0.85 CCCC[C@@H](CC)C(=O)OC CNP0295957.1 [0,2,0,0,0,0|0,0,2]=4 356 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [0,2,0,0,0,0|0,0,1]=3 357 B10R0.55 CCC(=O)C=CCC=C(C)C CNP0093089.0 [0,2,0,0,0,0|1,0,1]=4 358 B10R0.55 COC(=O)CC=COC(=O)C CNP0064090.0 [0,2,0,0,0,0|1,0,1]=4 359 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,2,0,0,0,0|0,0,2]=4 360 B10R0.55 COC(=O)CCCCC(C)C CNP0109196.0 [0,2,0,0,0,0|0,0,2]=4 361 B10R0.74 C=CCC=CCCC(=O)OC CNP0061280.0 [0,2,0,0,0,0|0,0,2]=4 362 B10R0.74 CC#CC#CC=CC(=O)OC CNP0149520.0 [0,2,0,0,0,0|0,0,2]=4 363 B10R0.74 CC=CC#CC=CC(=O)OC CNP0382166.0 [0,2,0,0,0,0|0,0,2]=4 364 B10R0.74 CC=CC=CC=CC(=O)OC CNP0127753.0 [0,2,0,0,0,0|0,0,2]=4 365 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,2,0,0,0,0|0,0,2]=4 366 B10R0.74 CCCC#CC=CC(=O)OC CNP0126459.0 [0,2,0,0,0,0|0,0,0]=2 367 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,2,0,0,0,0|0,0,0]=2 368 B10R0.74 CCCC=CCOC(=O)CC CNP0003460.0 [0,2,0,0,0,0|1,0,0]=3 369 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,2,0,0,0,0|0,0,2]=4 370 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,2,0,0,0,0|0,0,0]=2 371 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,2,0,0,0,0|0,0,2]=4 372 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|1,0,1]=4 373 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,0,0,1,0,0|1,0,1]=4 374 B8R1.2 COC1=CCCCC1 CNP0354574.0 [1,0,0,1,0,0|0,0,1]=3 375 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [1,0,0,1,0,0|1,0,1]=4 376 B8R1.8 CCCC1=CC=CO1 CNP0301120.0 [1,0,0,1,0,0|2,0,0]=4 377 B8R1.8 CCCC1=CC=CS1 CNP0076464.0 [1,0,0,1,0,0|2,0,0]=4 378 B8R1.49 C1=CCCCCC=C1 CNP0084968.0 [1,0,0,1,0,0|1,0,0]=3 379 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|1,0,1]=4 380 B8R1.1 CCC1=CC(=O)CC1 CNP0307278.0 [1,0,0,1,0,0|1,0,0]=3 381 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|2,0,0]=4 382 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [1,0,0,1,0,0|1,1,0]=4 383 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|2,0,0]=4 384 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|0,0,1]=3 385 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [1,0,0,1,0,0|1,1,0]=4 386 B8R1.1 COC1=CC(=O)NC1 CNP0315098.0 [1,0,0,1,0,0|2,0,0]=4 387 B8R1.1 COC1=CC(=O)OC1 CNP0407437.0 [1,0,0,1,0,0|1,0,0]=3 388 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,1,0,0|1,0,1]=4 389 B8R1.1 O=C1C=C(CO1)CO CNP0230672.0 [1,0,0,1,0,0|1,0,0]=3 390 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|1,0,1]=4 391 B8R1.3 O=C1C=CC(=O)OC1 CNP0611320.0 [1,0,0,1,0,0|1,0,1]=4 392 B8R1.3 O=C1C=C[C@@H](CN1)O CNP0420822.2 [1,0,0,1,0,0|2,0,0]=4 393 B8R1.3 O=C1C=C[C@H](CN1)O CNP0420822.1 [1,0,0,1,0,0|2,0,0]=4 394 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [1,0,0,1,0,0|2,0,0]=4 395 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,1,0,0|0,0,2]=4 396 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [1,0,0,1,0,0|0,0,0]=2 397 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|1,0,1]=4 398 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [1,0,0,1,0,0|0,0,0]=2 399 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|0,0,2]=4 400 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|0,0,2]=4 401 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [1,0,0,1,0,0|0,0,0]=2 402 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|0,0,2]=4 403 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|0,0,2]=4 404 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [1,0,0,1,0,0|1,0,0]=3 405 B8R1.7 CC(=O)C1=NCCS1 CNP0314026.0 [1,0,0,1,0,0|2,0,0]=4 406 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,1,0,0|1,0,1]=4 407 B8R1.7 CC(=O)N1C=CCC1 CNP0356664.0 [1,0,0,1,0,0|1,0,1]=4 408 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [1,0,0,1,0,0|1,0,0]=3 409 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,1,0,0|0,0,2]=4 410 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [1,0,0,1,0,0|1,0,1]=4 411 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [1,0,0,1,0,0|0,0,2]=4 412 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [1,0,0,1,0,0|1,0,1]=4 413 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [1,0,0,1,0,0|1,0,1]=4 414 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [1,0,0,1,0,0|1,0,1]=4 415 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [1,0,0,1,0,0|1,0,1]=4 416 B8R1.72 C[C@@]1(C=CCCC1)O CNP0241347.2 [1,0,0,1,0,0|0,0,2]=4 417 B8R1.72 C[C@]1(C=CCCC1)O CNP0241347.1 [1,0,0,1,0,0|0,0,2]=4 418 B10R1.13 C=C1C=C[C@@H](CC1)C(C)C CNP0204388.2 [0,1,0,1,0,0|2,0,0]=4 419 B10R1.13 C=C1C=C[C@H](CC1)C(C)C CNP0204388.1 [0,1,0,1,0,0|2,0,0]=4 420 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 CNP0293305.1 [0,1,0,1,0,0|1,0,0]=3 421 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 CNP0293305.2 [0,1,0,1,0,0|1,0,0]=3 422 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C CNP0162506.2 [0,1,0,1,0,0|2,0,0]=4 423 B10R1.13 CC1=CC[C@H](C=C1)C(C)C CNP0162506.1 [0,1,0,1,0,0|2,0,0]=4 424 B10R1.14 COC(=O)C1=CCC(=N1)O CNP0539959.0 [0,1,0,1,0,0|1,0,1]=4 425 B10R1.14 COC(=O)C1=CCC(=O)N1 CNP0609465.0 [0,1,0,1,0,0|1,0,1]=4 426 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O CNP0033658.1 [0,1,0,1,0,0|1,0,1]=4 427 B10R1.206 COC(=O)/C=C/[C@@H]1O[C@@H]1C CNP0362787.1 [0,1,0,1,0,0|0,0,0]=2 428 B10R1.206 COC(=O)/C=C/[C@@H]1O[C@H]1C CNP0362787.4 [0,1,0,1,0,0|0,0,0]=2 429 B10R1.206 COC(=O)/C=C/[C@H]1O[C@@H]1C CNP0362787.2 [0,1,0,1,0,0|0,0,0]=2 430 B10R1.206 COC(=O)/C=C/[C@H]1O[C@H]1C CNP0362787.3 [0,1,0,1,0,0|0,0,0]=2 431 B10R1.301 CC1=C(C(CC=C1)(C)C)C CNP0583800.0 [0,1,0,1,0,0|2,0,0]=4 432 B10R1.10 CC=CC1=CC(=O)OCC1 CNP0430897.0 [0,1,0,1,0,0|0,0,2]=4 433 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,1,0,1,0,0|0,0,2]=4 434 B10R1.10 CCNC1=CC(=O)CCC1 CNP0039050.0 [0,1,0,1,0,0|2,0,0]=4 435 B10R1.10 CCOC1=CC(=O)CCC1 CNP0056254.0 [0,1,0,1,0,0|2,0,0]=4 436 B10R1.21 CCCC=CC1=CC=CO1 CNP0062587.0 [0,1,0,1,0,0|1,0,1]=4 437 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,1,0,1,0,0|0,0,2]=4 438 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,1,0,1,0,0|0,0,2]=4 439 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|0,0,2]=4 440 B10R1.96 CCCC1=CSC(=N1)CC CNP0002531.0 [0,1,0,1,0,0|2,0,0]=4 441 B10R1.96 CCCC1=NC(=CS1)CC CNP0006135.0 [0,1,0,1,0,0|2,0,0]=4 442 B10R1.245 COC1=C(NC=CC1=O)C CNP0226695.0 [0,1,0,1,0,0|1,0,1]=4 443 B10R1.245 COC1=C(OC=CC1=O)C CNP0167853.0 [0,1,0,1,0,0|1,0,1]=4 444 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [0,1,0,1,0,0|1,0,1]=4 445 B10R1.15 CCC(=O)C1=CCCCN1 CNP0358060.0 [0,1,0,1,0,0|1,0,0]=3 446 B10R1.15 COC(=O)C1=CCCNC1 CNP0313313.0 [0,1,0,1,0,0|0,0,0]=2 447 B10R1.15 COC(=O)C1C=CCCC1 CNP0071902.0 [0,1,0,1,0,0|0,0,0]=2 448 B10R1.15 COC(=O)C1CCCCC1 CNP0393903.0 [0,1,0,1,0,0|0,0,2]=4 449 B10R1.15 COC(=O)[C@@H]1CCCCN1 CNP0308533.1 [0,1,0,1,0,0|0,0,2]=4 450 B10R1.94 CC1=C(COC1=O)COO CNP0533411.0 [0,1,0,1,0,0|2,0,0]=4 451 B10R1.94 CCCC1=C(C(=O)CC1)O CNP0414058.0 [0,1,0,1,0,0|1,0,0]=3 452 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [0,1,0,1,0,0|1,0,1]=4 453 B10R1.411 COC(=O)C1(CCCC1)N CNP0570869.0 [0,1,0,1,0,0|0,0,2]=4 454 B10R1.3 CCC1=CC=C(C=C1)OC CNP0330277.0 [0,1,0,1,0,0|1,0,1]=4 455 B10R1.8 CCC1=CC(=O)C[C@@H](O1)C CNP0217841.2 [0,1,0,1,0,0|1,0,1]=4 456 B10R1.8 CCC1=CC(=O)C[C@H](O1)C CNP0217841.1 [0,1,0,1,0,0|1,0,1]=4 457 B10R1.27 COC(=O)CC1CCCN1 CNP0483269.0 [0,1,0,1,0,0|0,0,2]=4 458 B10R1.149 COC(=O)C1=C(C=CO1)C CNP0325643.0 [0,1,0,1,0,0|0,0,2]=4 459 B10R1.149 COC(=O)C1=CC=NN1C CNP0027219.0 [0,1,0,1,0,0|1,0,1]=4 460 B10R1.149 COC(=O)[C@@H]1CCCN1N CNP0562271.1 [0,1,0,1,0,0|1,0,1]=4 461 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,1,0,1,0,0|0,0,2]=4 462 B10R2.2 O=C1C=C2CCCC2C1 CNP0500354.0 [0,0,0,2,0,0|1,0,0]=3 463 B10R2.32 O=C1C=C[C@@H]2N1CCC2 CNP0161013.1 [0,0,0,2,0,0|1,0,0]=3 464 B10R2.32 O=C1C=C[C@H]2N1CCC2 CNP0161013.2 [0,0,0,2,0,0|1,0,0]=3