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|1,0,1]=2 2 B8R0.6 C=CC(=O)OCCCC CNP0191898.0 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [0,0,0,0,0,0|1,0,3]=4 5 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [0,0,0,0,0,0|1,0,1]=2 6 B8R0.6 CC=CC=CC(=O)OC CNP0320063.0 [0,0,0,0,0,0|0,0,4]=4 7 B8R0.6 CCC=CCC(=O)OC CNP0261842.0 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.6 CCCC=CC(=O)CC CNP0017905.0 [0,0,0,0,0,0|1,0,2]=3 9 B8R0.6 CCCC=CC(=O)OC CNP0385542.0 [0,0,0,0,0,0|0,0,2]=2 10 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [0,0,0,0,0,0|3,0,1]=4 11 B8R0.6 CCCCCC(=NO)C CNP0241223.0 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.6 CCCCCC(=O)CC CNP0381627.0 [0,0,0,0,0,0|1,0,0]=1 13 B8R0.6 CCCCCC(=O)CO CNP0546319.0 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [0,0,0,0,0,0|0,0,0]=0 15 B8R0.6 CCCCCC(=O)SC CNP0018085.0 [0,0,0,0,0,0|0,1,0]=1 16 B8R0.6 CCCCCC(S)SC CNP0002612.0 [0,0,0,0,0,0|0,2,1]=3 17 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [0,0,0,0,0,0|1,0,2]=3 18 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [0,0,0,0,0,0|1,0,2]=3 20 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [0,0,0,0,0,0|2,0,2]=4 21 B8R0.6 CCCCNC(=N)NO CNP0535503.0 [0,0,0,0,0,0|4,0,0]=4 22 B8R0.6 CCCCOC(=O)CC CNP0139208.0 [0,0,0,0,0,0|2,0,0]=2 23 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [0,0,0,0,0,0|2,0,1]=3 24 B8R0.6 CCNC=CC(=O)OC CNP0034693.0 [0,0,0,0,0,0|1,0,2]=3 25 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [0,0,0,0,0,0|3,0,1]=4 26 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [0,0,0,0,0,0|3,0,1]=4 27 B8R0.6 COC(=O)CCCSC CNP0313998.0 [0,0,0,0,0,0|1,0,0]=1 28 B8R0.6 COC(C)COCCCl CNP0537294.0 [0,0,0,0,0,0|3,0,1]=4 29 B8R0.6 COCCCC(=O)OC CNP0580088.0 [0,0,0,0,0,0|1,0,0]=1 30 B7R0.1 C#CC=CCCCC CNP0076122.0 [1,0,0,0,0,0|1,0,2]=4 31 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,0,0,0,0,0|1,0,2]=4 32 B7R0.1 C=CCCCC=CC CNP0076717.0 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.1 C=CCCCCCC CNP0246919.0 [1,0,0,0,0,0|1,0,2]=4 34 B7R0.1 CC=CC=CCCC CNP0275494.0 [1,0,0,0,0,0|1,0,2]=4 35 B7R0.1 CC=CCCC=CC CNP0082120.0 [1,0,0,0,0,0|1,0,2]=4 36 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.1 CC=CCSCCC CNP0536250.0 [1,0,0,0,0,0|2,0,0]=3 38 B7R0.1 CC=CSSCCC CNP0421889.0 [1,0,0,0,0,0|3,0,0]=4 39 B7R0.1 CCC#CCCCC CNP0602501.0 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.1 CCC=CCCCC CNP0084702.0 [1,0,0,0,0,0|1,0,1]=3 41 B7R0.1 CCC=CCCCO CNP0003503.0 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,0,0,0,0,0|2,0,1]=4 43 B7R0.1 CCCCC=CCO CNP0191159.0 [1,0,0,0,0,0|2,0,1]=4 44 B7R0.1 CCCCCCC#N CNP0186663.0 [1,0,0,0,0,0|2,0,1]=4 45 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,0,0,0,0|2,0,1]=4 46 B7R0.1 CCCCCCCC CNP0286567.0 [1,0,0,0,0,0|1,0,1]=3 47 B7R0.1 CCCCCCCN CNP0186919.0 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.1 CCCCCCCO CNP0329737.0 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.1 CCCCCCNC CNP0413437.0 [1,0,0,0,0,0|1,0,1]=3 50 B7R0.1 CCCCCN=C=S CNP0391667.0 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.1 CCCCCOC=O CNP0294368.0 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.1 CCCCCON=O CNP0511882.0 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.1 CCCCCSSC CNP0201479.0 [1,0,0,0,0,0|1,1,0]=3 55 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,0,0,0,0,0|3,0,0]=4 56 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.1 CCNCCCCN CNP0107714.0 [1,0,0,0,0,0|3,0,0]=4 58 B7R0.1 CCNCCNCC CNP0103183.0 [1,0,0,0,0,0|3,0,0]=4 59 B7R0.1 CNCCCCCN CNP0390055.0 [1,0,0,0,0,0|2,0,1]=4 60 B7R0.1 CNCCCCNC CNP0145070.0 [1,0,0,0,0,0|2,0,1]=4 61 B7R0.1 COCCOCCO CNP0610336.0 [1,0,0,0,0,0|2,0,1]=4 62 B7R0.1 CSCCCC=NO CNP0610383.0 [1,0,0,0,0,0|3,0,0]=4 63 B7R0.3 C=C(C=O)CCCC CNP0555185.0 [1,0,0,0,0,0|3,0,0]=4 64 B7R0.3 C=C(CC)CCCC CNP0084703.0 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.3 C=CC(=O)CCCC CNP0083902.0 [1,0,0,0,0,0|1,0,1]=3 66 B7R0.3 C=CCCC(=O)OC CNP0383041.0 [1,0,0,0,0,0|0,0,2]=3 67 B7R0.3 CCC(=O)CCSC CNP0003468.0 [1,0,0,0,0,0|2,0,0]=3 68 B7R0.3 CCC(=O)OCCO CNP0095595.0 [1,0,0,0,0,0|3,0,0]=4 69 B7R0.3 CCC=CC(=O)CC CNP0166330.0 [1,0,0,0,0,0|1,0,2]=4 70 B7R0.3 CCCC=C(C)CC CNP0263169.0 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.3 CCCCC(=O)CC CNP0286726.0 [1,0,0,0,0,0|1,0,0]=2 72 B7R0.3 CCCCC(=O)OC CNP0184855.0 [1,0,0,0,0,0|0,0,0]=1 73 B7R0.3 CCCC[C@@H](C)CC CNP0161853.2 [1,0,0,0,0,0|2,0,1]=4 74 B7R0.3 CCCC[C@H](C)CC CNP0161853.1 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.3 CCCC[C@H](O)CC CNP0102609.1 [1,0,0,0,0,0|1,0,2]=4 76 B7R0.3 CCCC[S@+]([O-])SC CNP0486483.1 [1,0,0,0,0,0|1,1,1]=4 77 B7R0.3 CCCC[S@H+]([O-])SC CNP0500798.1 [1,0,0,0,0,0|1,1,1]=4 78 B7R0.3 CCCOC(=O)CC CNP0296678.0 [1,0,0,0,0,0|2,0,0]=3 79 B7R0.3 CCOCC(=O)OC CNP0306071.0 [1,0,0,0,0,0|1,0,0]=2 80 B7R0.3 CCOCC(=O)OCl CNP0310793.0 [1,0,0,0,0,0|2,0,0]=3 81 B7R0.3 COC(=O)CCC#N CNP0076214.0 [1,0,0,0,0,0|1,0,1]=3 82 B7R0.3 COC(=O)CCC=O CNP0246367.0 [1,0,0,0,0,0|1,0,1]=3 83 B7R0.3 COC(=O)CCSC CNP0302353.0 [1,0,0,0,0,0|1,0,0]=2 84 B7R0.3 COC=CC(=O)OC CNP0398712.0 [1,0,0,0,0,0|1,0,2]=4 85 B7R0.4 C=C(C)CCC=CC CNP0576117.0 [1,0,0,0,0,0|1,0,2]=4 86 B7R0.4 C=C(O)CCCCC CNP0475201.0 [1,0,0,0,0,0|1,0,0]=2 87 B7R0.4 C=CCCCC(=O)O CNP0553840.0 [1,0,0,0,0,0|0,0,2]=3 88 B7R0.4 C=CCNCC(=O)O CNP0542042.0 [1,0,0,0,0,0|1,0,2]=4 89 B7R0.4 CC(=O)CCCC=O CNP0331218.0 [1,0,0,0,0,0|1,0,1]=3 90 B7R0.4 CC(=O)NCCC=O CNP0100556.0 [1,0,0,0,0,0|2,0,1]=4 91 B7R0.4 CC(=O)OCCCS CNP0325111.0 [1,0,0,0,0,0|2,0,0]=3 92 B7R0.4 CC(C)CCCCO CNP0497904.0 [1,0,0,0,0,0|2,0,1]=4 93 B7R0.4 CC(O)CCCCO CNP0285438.0 [1,0,0,0,0,0|1,0,2]=4 94 B7R0.4 CC=CCCC(=O)O CNP0086055.0 [1,0,0,0,0,0|0,0,2]=3 95 B7R0.4 CCC=CCC(=O)C CNP0207647.0 [1,0,0,0,0,0|0,0,2]=3 96 B7R0.4 CCC=CCC(=O)O CNP0276461.0 [1,0,0,0,0,0|0,0,2]=3 97 B7R0.4 CCCC=CC(=O)C CNP0280826.0 [1,0,0,0,0,0|0,0,2]=3 98 B7R0.4 CCCC=CC(=O)O CNP0215085.0 [1,0,0,0,0,0|0,0,2]=3 99 B7R0.4 CCCCCC(=O)C CNP0240774.0 [1,0,0,0,0,0|0,0,0]=1 100 B7R0.4 CCCCCC(=O)N CNP0077222.0 [1,0,0,0,0,0|1,0,0]=2 101 B7R0.4 CCCCCC(=O)O CNP0210437.0 [1,0,0,0,0,0|0,0,0]=1 102 B7R0.4 CCCCCC(=S)O CNP0092443.0 [1,0,0,0,0,0|0,1,0]=2 103 B7R0.4 CCCCCC(C)C CNP0146536.0 [1,0,0,0,0,0|1,0,1]=3 104 B7R0.4 CCCCC[14C](=O)O CNP0563421.0 [1,0,0,0,0,0|0,0,0]=1 105 B7R0.4 CCCCC[C@@H](C)N CNP0336832.2 [1,0,0,0,0,0|1,0,1]=3 106 B7R0.4 CCCCC[C@@H](C)O CNP0256316.1 [1,0,0,0,0,0|0,0,2]=3 107 B7R0.4 CCCCC[C@@H](C)S CNP0076785.2 [1,0,0,0,0,0|0,1,1]=3 108 B7R0.4 CCCCC[C@H](C)N CNP0336832.1 [1,0,0,0,0,0|1,0,1]=3 109 B7R0.4 CCCCC[C@H](C)O CNP0256316.2 [1,0,0,0,0,0|0,0,2]=3 110 B7R0.4 CCCCC[C@H](C)S CNP0076785.1 [1,0,0,0,0,0|0,1,1]=3 111 B7R0.4 CCCCNC(=S)N CNP0137764.0 [1,0,0,0,0,0|2,1,0]=4 112 B7R0.4 CCCCOC(=O)C CNP0158571.0 [1,0,0,0,0,0|1,0,0]=2 113 B7R0.4 CCCCS[S@@+](C)[O-] CNP0566357.1 [1,0,0,0,0,0|2,0,1]=4 114 B7R0.4 CCCCS[S@@H+](C)[O-] CNP0518140.1 [1,0,0,0,0,0|2,0,1]=4 115 B7R0.4 CCCNCC(C)C CNP0333564.0 [1,0,0,0,0,0|2,0,1]=4 116 B7R0.4 CCCSCC(C)C CNP0116113.0 [1,0,0,0,0,0|2,0,1]=4 117 B7R0.4 CCCSOC(=O)C CNP0411356.0 [1,0,0,0,0,0|2,0,0]=3 118 B7R0.4 CCNCCC(C)C CNP0184897.0 [1,0,0,0,0,0|2,0,1]=4 119 B7R0.4 CCNCNC(=O)N CNP0182596.0 [1,0,0,0,0,0|3,0,0]=4 120 B7R0.4 CCOCC=C(C)C CNP0002719.0 [1,0,0,0,0,0|2,0,1]=4 121 B7R0.4 CCOCCC(=O)C CNP0086134.0 [1,0,0,0,0,0|1,0,0]=2 122 B7R0.4 CCOCCC(=O)O CNP0566237.0 [1,0,0,0,0,0|1,0,0]=2 123 B7R0.4 CCOCCC(C)C CNP0032749.0 [1,0,0,0,0,0|2,0,1]=4 124 B7R0.4 CNCCCC(=O)O CNP0216187.0 [1,0,0,0,0,0|1,0,0]=2 125 B7R0.4 COCCCC(=O)C CNP0580201.0 [1,0,0,0,0,0|1,0,0]=2 126 B7R0.4 COCCOC(=O)C CNP0278807.0 [1,0,0,0,0,0|2,0,0]=3 127 B7R0.4 N#CCCCC(=O)N CNP0321231.0 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.4 N#CCCCC(=O)O CNP0192028.0 [1,0,0,0,0,0|1,0,1]=3 129 B7R0.4 NC(=O)COCCO CNP0488363.0 [1,0,0,0,0,0|3,0,0]=4 130 B7R0.4 NCCCCC(=O)N CNP0001733.0 [1,0,0,0,0,0|2,0,0]=3 131 B7R0.4 NCCCCC(=O)O CNP0167970.0 [1,0,0,0,0,0|1,0,0]=2 132 B7R0.4 NCCNCC(=O)O CNP0461877.0 [1,0,0,0,0,0|2,0,0]=3 133 B7R0.4 O=C(O)CCCCO CNP0601188.0 [1,0,0,0,0,0|1,0,0]=2 134 B7R0.4 O=C(O)CNCCO CNP0333030.0 [1,0,0,0,0,0|2,0,0]=3 135 B7R0.4 O=CCCCC(=O)O CNP0051154.0 [1,0,0,0,0,0|1,0,1]=3 136 B7R0.4 [CH2]CCCCC(C)C CNP0488090.0 [1,0,0,0,0,0|1,0,2]=4 137 B9R0.1 CCC(=O)C=CCC(C)C CNP0303308.0 [0,1,0,0,0,0|1,0,2]=4 138 B9R0.1 CCC(=O)OCCC(C)C CNP0244888.0 [0,1,0,0,0,0|2,0,0]=3 139 B9R0.1 CCC(C)CCCC(C)O CNP0205205.0 [0,1,0,0,0,0|2,0,1]=4 140 B9R0.1 CC[C@H](C)CCCC(C)C CNP0308857.1 [0,1,0,0,0,0|2,0,1]=4 141 B9R0.1 COC(=O)CCCC(=O)C CNP0609095.0 [0,1,0,0,0,0|0,0,1]=2 142 B9R0.1 COC(=O)CCCC(=O)Cl CNP0360552.0 [0,1,0,0,0,0|1,0,1]=3 143 B9R0.1 COC(=O)CCCC(=O)O CNP0216180.0 [0,1,0,0,0,0|1,0,1]=3 144 B9R0.1 COC(=O)CCCC(C)C CNP0354056.0 [0,1,0,0,0,0|0,0,0]=1 145 B9R0.1 COC(=O)CCCN(C)C CNP0185464.0 [0,1,0,0,0,0|1,0,0]=2 146 B9R0.1 COC(=O)CONC(=O)C CNP0170381.0 [0,1,0,0,0,0|2,0,1]=4 147 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,1,0,0,0,0|1,0,1]=3 148 B9R0.5 C=CCCCC(=O)OCC CNP0023026.0 [0,1,0,0,0,0|0,0,2]=3 149 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,1,0,0,0,0|0,0,1]=2 150 B9R0.5 CC=CC(=O)C=CCCC CNP0250774.0 [0,1,0,0,0,0|1,0,2]=4 151 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,1,0,0,0,0|1,0,0]=2 152 B9R0.5 CC=CC(=O)OCCCC CNP0017670.0 [0,1,0,0,0,0|2,0,0]=3 153 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,1,0,0,0,0|1,0,2]=4 154 B9R0.5 CCC=CCC(=O)OCC CNP0055106.0 [0,1,0,0,0,0|0,0,2]=3 155 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,1,0,0,0,0|2,0,1]=4 156 B9R0.5 CCCC=CC(=O)OCC CNP0003275.0 [0,1,0,0,0,0|0,0,2]=3 157 B9R0.5 CCCCCC(=O)CCC CNP0331420.0 [0,1,0,0,0,0|1,0,0]=2 158 B9R0.5 CCCCCC(=O)CCO CNP0135586.0 [0,1,0,0,0,0|1,0,0]=2 159 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,1,0,0,0,0|0,0,0]=1 160 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [0,1,0,0,0,0|2,0,1]=4 161 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,1,0,0,0,0|1,0,2]=4 162 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [0,1,0,0,0,0|1,0,2]=4 163 B9R0.5 CCCCOC(=O)CCC CNP0123594.0 [0,1,0,0,0,0|2,0,0]=3 164 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [0,1,0,0,0,0|2,0,1]=4 165 B9R0.5 CCOC(=O)CCCC#N CNP0244990.0 [0,1,0,0,0,0|1,0,1]=3 166 B9R0.5 CCOC(=O)CCCSC CNP0002800.0 [0,1,0,0,0,0|1,0,0]=2 167 B9R0.8 CCCCC(=O)C(=O)OC CNP0508522.0 [0,1,0,0,0,0|0,0,1]=2 168 B9R0.8 CCCCC(C)C(C)CC CNP0516887.0 [0,1,0,0,0,0|2,0,1]=4 169 B9R0.8 CCCC[C@@H](Br)C(=O)CBr CNP0143614.2 [0,1,0,0,0,0|2,0,0]=3 170 B9R0.8 CCCC[C@@H](C)C(=O)CC CNP0221294.1 [0,1,0,0,0,0|1,0,0]=2 171 B9R0.8 CCCC[C@@H](O)[C@H](C)CC CNP0267749.1 [0,1,0,0,0,0|2,0,1]=4 172 B9R0.8 CCCC[C@H](Br)C(=O)CBr CNP0143614.1 [0,1,0,0,0,0|2,0,0]=3 173 B9R0.8 CCCC[C@H](Br)C(=O)OC CNP0017826.1 [0,1,0,0,0,0|0,0,0]=1 174 B9R0.8 CCCC[C@H](O)[C@@H](C)CC CNP0267749.2 [0,1,0,0,0,0|2,0,1]=4 175 B9R0.8 COC(=O)[C@@H](N)CCSC CNP0396145.2 [0,1,0,0,0,0|1,0,0]=2 176 B9R0.20 CCCCCC(C)(C)CC CNP0233685.0 [0,1,0,0,0,0|2,0,1]=4 177 B9R0.20 CCCCC[Si](Cl)(Cl)CC CNP0393505.0 [0,1,0,0,0,0|2,1,0]=4 178 B9R0.24 CCC(=O)CCC(=O)CC CNP0280257.0 [0,1,0,0,0,0|1,0,1]=3 179 B9R0.24 CCC(=O)CC[C@@H](C)CC CNP0210465.2 [0,1,0,0,0,0|1,0,0]=2 180 B9R0.24 CCC(=O)CC[C@H](C)CC CNP0210465.1 [0,1,0,0,0,0|1,0,0]=2 181 B9R0.24 CCC(=O)OC[C@@H](C)CC CNP0161389.1 [0,1,0,0,0,0|2,0,0]=3 182 B9R0.24 CCC(C)CCC(=O)OC CNP0076942.0 [0,1,0,0,0,0|0,0,0]=1 183 B9R0.24 CCC(C)CCC(C)CC CNP0597985.0 [0,1,0,0,0,0|2,0,1]=4 184 B9R0.24 CC[C@@H](C)/C=C/C(=O)OC CNP0273478.2 [0,1,0,0,0,0|0,0,2]=3 185 B9R0.24 CC[C@@H](C)C=CC(=O)OC CNP0273478.1 [0,1,0,0,0,0|0,0,2]=3 186 B9R0.24 COC(=O)CCC(=O)CN CNP0363549.0 [0,1,0,0,0,0|1,0,1]=3 187 B9R0.24 COC(=O)CCC(=O)CO CNP0195106.0 [0,1,0,0,0,0|1,0,1]=3 188 B9R0.24 COC(=O)CCC(=O)OC CNP0301716.0 [0,1,0,0,0,0|1,0,1]=3 189 B9R0.34 CCCC(C)CC(C)CC CNP0083059.0 [0,1,0,0,0,0|2,0,1]=4 190 B9R0.34 CCCC(C)OC(=O)CC CNP0076186.0 [0,1,0,0,0,0|2,0,0]=3 191 B9R0.34 CCC[C@@H](O)CC(=O)OC CNP0044478.2 [0,1,0,0,0,0|0,0,0]=1 192 B9R0.34 CCC[C@H](O)CC(=O)OC CNP0044478.1 [0,1,0,0,0,0|0,0,0]=1 193 B9R0.34 COC(=O)C=C(C)CCO CNP0161567.0 [0,1,0,0,0,0|1,0,2]=4 194 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [0,1,0,0,0,0|1,0,1]=3 195 B9R0.46 C=CC(=O)OCCOCC CNP0523688.0 [0,1,0,0,0,0|2,0,1]=4 196 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,1,0,0,0,0|1,0,1]=3 197 B9R0.46 CCC=CCCC(=O)OC CNP0175025.0 [0,1,0,0,0,0|0,0,1]=2 198 B9R0.46 CCCCC=CC(=O)OC CNP0002590.0 [0,1,0,0,0,0|0,0,1]=2 199 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [0,1,0,0,0,0|3,0,0]=4 200 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [0,1,0,0,0,0|3,0,0]=4 201 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,1,0,0,0,0|1,0,0]=2 202 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [0,1,0,0,0,0|2,0,0]=3 203 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,1,0,0,0,0|0,0,0]=1 204 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [0,1,0,0,0,0|2,0,1]=4 205 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [0,1,0,0,0,0|1,0,2]=4 206 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [0,1,0,0,0,0|1,0,1]=3 207 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [0,1,0,0,0,0|1,0,2]=4 208 B9R0.46 CCCCCOC(=O)CC CNP0268077.0 [0,1,0,0,0,0|1,0,0]=2 209 B9R0.46 CCCCCO[C@H](C)OC CNP0289301.1 [0,1,0,0,0,0|1,0,1]=3 210 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [0,1,0,0,0,0|2,0,1]=4 211 B9R0.46 CNC(=N)NCCCCN CNP0270789.0 [0,1,0,0,0,0|3,0,0]=4 212 B9R0.46 COC(=O)CCCN=C=S CNP0075378.0 [0,1,0,0,0,0|1,0,1]=3 213 B9R0.46 CSCCCOC(=O)CS CNP0575609.0 [0,1,0,0,0,0|3,0,0]=4 214 B9R0.47 C=C(C)C(=O)OCCCC CNP0245815.0 [0,1,0,0,0,0|2,0,0]=3 215 B9R0.47 C=C(CCCCC)C(=O)C CNP0237498.0 [0,1,0,0,0,0|2,0,0]=3 216 B9R0.47 CCCCCC(=O)C(=O)C CNP0172779.0 [0,1,0,0,0,0|1,0,0]=2 217 B9R0.47 CCCCCC(=O)C(Br)Br CNP0018433.0 [0,1,0,0,0,0|2,0,0]=3 218 B9R0.47 CCCCCC(=O)[C@H](C)O CNP0109068.1 [0,1,0,0,0,0|1,0,0]=2 219 B9R0.47 CCCCCC(C)C(C)O CNP0111334.0 [0,1,0,0,0,0|2,0,1]=4 220 B9R0.47 CCCCC[C@@H](O)C(=O)C CNP0254836.1 [0,1,0,0,0,0|1,0,2]=4 221 B9R0.47 CCCCC[C@H](O)[C@@H](C)O CNP0205782.2 [0,1,0,0,0,0|1,0,2]=4 222 B9R0.47 CCCCC[C@H](O)[C@H](C)O CNP0205782.1 [0,1,0,0,0,0|1,0,2]=4 223 B9R0.47 CCCCOC(=O)C(C)C CNP0252598.0 [0,1,0,0,0,0|2,0,0]=3 224 B9R0.47 CCCCOC(=O)[C@H](C)O CNP0002502.1 [0,1,0,0,0,0|2,0,0]=3 225 B9R0.47 CSCCCC(=O)C(=O)O CNP0309382.0 [0,1,0,0,0,0|3,0,0]=4 226 B9R0.47 NCCCCC(=O)C(=O)O CNP0416953.0 [0,1,0,0,0,0|3,0,0]=4 227 B9R0.50 C=CC(CC)CCCCC CNP0538768.0 [0,1,0,0,0,0|2,0,1]=4 228 B9R0.50 C=CC(CCCCC)OO CNP0001521.0 [0,1,0,0,0,0|2,0,1]=4 229 B9R0.50 CCCCC=C(C=O)CC CNP0377822.0 [0,1,0,0,0,0|1,0,1]=3 230 B9R1.1 CCC1CCC(=O)CC1 CNP0599298.0 [0,0,0,1,0,0|1,0,0]=2 231 B9R1.1 CC[C@H]1CC=C(CC1)C CNP0192246.1 [0,0,0,1,0,0|2,0,0]=3 232 B9R1.1 CC[C@H]1CC[C@@H](CC1)C CNP0336780.1 [0,0,0,1,0,0|2,0,1]=4 233 B9R1.1 CC[C@H]1CC[C@@H](CC1)O CNP0167936.1 [0,0,0,1,0,0|1,0,2]=4 234 B9R1.1 CC[C@H]1CC[C@H](CC1)O CNP0167936.2 [0,0,0,1,0,0|1,0,2]=4 235 B9R1.1 COC1CCC(=O)CC1 CNP0217757.0 [0,0,0,1,0,0|2,0,0]=3 236 B9R1.2 CC[C@@H]1CCC[C@@H](C1)C CNP0296187.1 [0,0,0,1,0,0|2,0,1]=4 237 B9R1.2 CO[C@@H]1CCC[C@@H](O1)C CNP0008964.3 [0,0,0,1,0,0|0,0,2]=3 238 B9R1.2 CO[C@@H]1CCC[C@H](O1)C CNP0008964.4 [0,0,0,1,0,0|0,0,2]=3 239 B9R1.2 CO[C@H]1CCC[C@@H](O1)C CNP0008964.1 [0,0,0,1,0,0|0,0,2]=3 240 B9R1.2 CO[C@H]1CCC[C@H](O1)C CNP0008964.2 [0,0,0,1,0,0|0,0,2]=3 241 B9R1.3 CC1C(=O)CCCC1=O CNP0609104.0 [0,0,0,1,0,0|2,0,1]=4 242 B9R1.3 CC1CCCC(C1C)O CNP0521321.0 [0,0,0,1,0,0|1,0,2]=4 243 B9R1.3 CC1[C@@H](CCC[C@H]1C)C CNP0315073.2 [0,0,0,1,0,0|2,0,1]=4 244 B9R1.3 C[C@@H]1CCC[C@H](N1C)C CNP0376276.1 [0,0,0,1,0,0|2,0,1]=4 245 B9R1.3 C[C@H]1CCCC(=O)C1=O CNP0208707.1 [0,0,0,1,0,0|2,0,0]=3 246 B9R1.3 C[C@H]1[C@@H](CCC[C@@H]1C)C CNP0315073.1 [0,0,0,1,0,0|2,0,1]=4 247 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,0,1,0,0|1,0,0]=2 248 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,0,1,0,0|2,0,0]=3 249 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,0,0,1,0,0|3,0,0]=4 250 B9R1.7 CCCC1=CC(=O)CC1 CNP0248705.0 [0,0,0,1,0,0|1,0,2]=4 251 B9R1.7 CCC[C@H]1CCC(=O)O1 CNP0172695.1 [0,0,0,1,0,0|2,0,0]=3 252 B9R1.7 CCC[C@H]1CC[C@H](C1)C CNP0173723.1 [0,0,0,1,0,0|2,0,1]=4 253 B9R1.7 CCO[C@H]1CCC(=O)O1 CNP0310487.1 [0,0,0,1,0,0|3,0,0]=4 254 B9R1.7 CNC[C@H]1CCC(=O)O1 CNP0475322.1 [0,0,0,1,0,0|3,0,0]=4 255 B9R1.11 CCC(=O)C1=NCCC1 CNP0077976.0 [0,0,0,1,0,0|2,0,1]=4 256 B9R1.11 CCC(O)C1CCCC1 CNP0577832.0 [0,0,0,1,0,0|1,0,2]=4 257 B9R1.11 COC(=O)N1C=CCC1 CNP0029534.0 [0,0,0,1,0,0|1,0,2]=4 258 B9R1.11 COC(=O)[C@@H]1C=CCC1 CNP0166268.1 [0,0,0,1,0,0|0,0,2]=3 259 B9R1.11 COC(=O)[C@H]1CCCN1 CNP0150193.1 [0,0,0,1,0,0|1,0,0]=2 260 B9R1.16 CCCCCC1CC1C CNP0611992.0 [0,0,0,1,0,0|2,0,1]=4 261 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [0,0,0,1,0,0|1,1,1]=4 262 B9R1.21 CC[C@@H]1CC[C@@H](O1)CC CNP0244835.1 [0,0,0,1,0,0|1,0,2]=4 263 B9R1.21 CC[C@@H]1CC[C@H](O1)CC CNP0244835.2 [0,0,0,1,0,0|1,0,2]=4 264 B9R1.49 C=C1CCCC(CC1)C CNP0586791.0 [0,0,0,1,0,0|2,0,0]=3 265 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [0,0,0,1,0,0|2,0,1]=4 266 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,1,0,0|1,0,0]=2 267 B9R1.118 CCC1(CCCCC1)C CNP0085951.0 [0,0,0,1,0,0|2,0,1]=4 268 B9R1.132 CCC1=C(C(=O)CC1)O CNP0259371.0 [0,0,0,1,0,0|2,0,1]=4 269 B9R1.132 CC[C@H]1CCC(=O)C1=O CNP0157827.1 [0,0,0,1,0,0|2,0,0]=3 270 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|0,0,1]=3 271 B6R0.6 C=CCCCCO CNP0162421.0 [2,0,0,0,0,0|1,0,1]=4 272 B6R0.6 C=CCSCCC CNP0150756.0 [2,0,0,0,0,0|1,0,1]=4 273 B6R0.6 C=COCCCC CNP0077236.0 [2,0,0,0,0,0|1,0,1]=4 274 B6R0.6 CC=CCCC=O CNP0056069.0 [2,0,0,0,0,0|0,0,2]=4 275 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|0,0,1]=3 276 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|1,0,1]=4 277 B6R0.6 CC=CCSCC CNP0575773.0 [2,0,0,0,0,0|1,0,1]=4 278 B6R0.6 CC=CSCCC CNP0320861.0 [2,0,0,0,0,0|1,0,1]=4 279 B6R0.6 CCC=CCC=O CNP0227189.0 [2,0,0,0,0,0|0,0,2]=4 280 B6R0.6 CCC=CCCC CNP0391454.0 [2,0,0,0,0,0|1,0,1]=4 281 B6R0.6 CCCC=CC=O CNP0263913.0 [2,0,0,0,0,0|0,0,2]=4 282 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|0,0,1]=3 283 B6R0.6 CCCCC=NO CNP0149695.0 [2,0,0,0,0,0|1,0,1]=4 284 B6R0.6 CCCCCC#N CNP0412353.0 [2,0,0,0,0,0|1,0,1]=4 285 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,0,0]=2 286 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|0,0,1]=3 287 B6R0.6 CCCCCCN CNP0213933.0 [2,0,0,0,0,0|1,0,1]=4 288 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|0,0,1]=3 289 B6R0.6 CCCCCCS CNP0167948.0 [2,0,0,0,0,0|0,1,1]=4 290 B6R0.6 CCCCCC[O-] CNP0579903.0 [2,0,0,0,0,0|0,0,2]=4 291 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|1,0,0]=3 292 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|0,0,0]=2 293 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|0,1,0]=3 294 B6R0.6 CCCCCSS CNP0228282.0 [2,0,0,0,0,0|1,1,0]=4 295 B6R0.6 CCCCNC=O CNP0082472.0 [2,0,0,0,0,0|1,0,0]=3 296 B6R0.6 CCCCOC=O CNP0282325.0 [2,0,0,0,0,0|1,0,0]=3 297 B6R0.6 CCCCON=O CNP0003508.0 [2,0,0,0,0,0|2,0,0]=4 298 B6R0.6 CCCCSSC CNP0532819.0 [2,0,0,0,0,0|1,1,0]=4 299 B6R0.6 CCCNCCC CNP0129820.0 [2,0,0,0,0,0|1,0,1]=4 300 B6R0.6 CCCOCCO CNP0079853.0 [2,0,0,0,0,0|1,0,1]=4 301 B6R0.6 CCCSCCC CNP0173387.0 [2,0,0,0,0,0|1,0,1]=4 302 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|1,0,1]=4 303 B6R0.6 CCSCCCO CNP0355297.0 [2,0,0,0,0,0|1,0,1]=4 304 B6R0.6 CNCCCCN CNP0157274.0 [2,0,0,0,0,0|2,0,0]=4 305 B6R0.6 COCCCCO CNP0570905.0 [2,0,0,0,0,0|1,0,0]=3 306 B6R0.6 CSCCCC=O CNP0002814.0 [2,0,0,0,0,0|1,0,0]=3 307 B6R0.6 CSCCCCO CNP0002400.0 [2,0,0,0,0,0|1,0,1]=4 308 B6R0.6 NCCCCC=O CNP0083786.0 [2,0,0,0,0,0|1,0,0]=3 309 B6R0.6 NCCCCCO CNP0032450.0 [2,0,0,0,0,0|1,0,1]=4 310 B6R0.6 O=CCCCC=O CNP0204417.0 [2,0,0,0,0,0|1,0,1]=4 311 B6R0.6 OCCCCCO CNP0201249.0 [2,0,0,0,0,0|1,0,1]=4 312 B6R0.1 C=CC(=O)CCC CNP0162905.0 [2,0,0,0,0,0|1,0,1]=4 313 B6R0.1 CC=CC(=O)OC CNP0003452.0 [2,0,0,0,0,0|0,0,2]=4 314 B6R0.1 CCC(=O)CSC CNP0170567.0 [2,0,0,0,0,0|2,0,0]=4 315 B6R0.1 CCCC(=O)C#N CNP0204240.0 [2,0,0,0,0,0|2,0,0]=4 316 B6R0.1 CCCC(=O)C=O CNP0111121.0 [2,0,0,0,0,0|2,0,0]=4 317 B6R0.1 CCCC(=O)CC CNP0248158.0 [2,0,0,0,0,0|1,0,0]=3 318 B6R0.1 CCCC(=O)CO CNP0084314.0 [2,0,0,0,0,0|2,0,0]=4 319 B6R0.1 CCCC(=O)OC CNP0159910.0 [2,0,0,0,0,0|0,0,0]=2 320 B6R0.1 CCCC(=O)SC CNP0084452.0 [2,0,0,0,0,0|0,1,0]=3 321 B6R0.1 CCNC(=O)CC CNP0586892.0 [2,0,0,0,0,0|2,0,0]=4 322 B6R0.1 CCNC(=O)OC CNP0585352.0 [2,0,0,0,0,0|1,0,0]=3 323 B6R0.1 CCOC(=O)CC CNP0169171.0 [2,0,0,0,0,0|2,0,0]=4 324 B6R0.1 CCOC(=O)NC CNP0565390.0 [2,0,0,0,0,0|2,0,0]=4 325 B6R0.1 CCSC(=O)CC CNP0265303.0 [2,0,0,0,0,0|2,0,0]=4 326 B6R0.1 CNCC(=O)OC CNP0311286.0 [2,0,0,0,0,0|1,0,0]=3 327 B6R0.1 COC(=O)CC=O CNP0187576.0 [2,0,0,0,0,0|1,0,1]=4 328 B6R0.1 COC(=O)CSC CNP0189712.0 [2,0,0,0,0,0|1,0,0]=3 329 B6R0.1 COCC(=O)OC CNP0202591.0 [2,0,0,0,0,0|1,0,0]=3 330 B6R0.4 C=C(C)CCSC CNP0330891.0 [2,0,0,0,0,0|2,0,0]=4 331 B6R0.4 C=CCCC(=O)C CNP0610109.0 [2,0,0,0,0,0|0,0,2]=4 332 B6R0.4 C=CCCC(=O)O CNP0003359.0 [2,0,0,0,0,0|0,0,2]=4 333 B6R0.4 CC(=O)CCC=O CNP0261239.0 [2,0,0,0,0,0|1,0,1]=4 334 B6R0.4 CC(=O)NCCN CNP0182526.0 [2,0,0,0,0,0|2,0,0]=4 335 B6R0.4 CC(=O)NCCO CNP0304709.0 [2,0,0,0,0,0|2,0,0]=4 336 B6R0.4 CC(=O)NCCS CNP0516453.0 [2,0,0,0,0,0|2,0,0]=4 337 B6R0.4 CC(=O)OCCI CNP0274212.0 [2,0,0,0,0,0|2,0,0]=4 338 B6R0.4 CC(=O)OCCN CNP0165405.0 [2,0,0,0,0,0|2,0,0]=4 339 B6R0.4 CC(=O)OCCO CNP0589275.0 [2,0,0,0,0,0|2,0,0]=4 340 B6R0.4 CC=CCC(=O)O CNP0610144.0 [2,0,0,0,0,0|0,0,2]=4 341 B6R0.4 CCC=CC(=O)C CNP0129352.0 [2,0,0,0,0,0|0,0,2]=4 342 B6R0.4 CCC=CC(=O)O CNP0185292.0 [2,0,0,0,0,0|0,0,2]=4 343 B6R0.4 CCCC=C(C)O CNP0268446.0 [2,0,0,0,0,0|0,0,2]=4 344 B6R0.4 CCCCB(O)O CNP0482760.0 [2,0,0,0,0,0|1,0,1]=4 345 B6R0.4 CCCCC(=O)C CNP0194685.0 [2,0,0,0,0,0|0,0,0]=2 346 B6R0.4 CCCCC(=O)N CNP0248834.0 [2,0,0,0,0,0|1,0,0]=3 347 B6R0.4 CCCCC(=O)O CNP0144818.0 [2,0,0,0,0,0|0,0,0]=2 348 B6R0.4 CCCCC(C)C CNP0312749.0 [2,0,0,0,0,0|1,0,1]=4 349 B6R0.4 CCCC[11C](=O)O CNP0540258.0 [2,0,0,0,0,0|0,0,0]=2 350 B6R0.4 CCCC[C@@H](C)O CNP0276755.1 [2,0,0,0,0,0|0,0,2]=4 351 B6R0.4 CCCC[C@H](C)O CNP0276755.2 [2,0,0,0,0,0|0,0,2]=4 352 B6R0.4 CCCNC(=O)C CNP0115400.0 [2,0,0,0,0,0|1,0,0]=3 353 B6R0.4 CCCOC(=O)C CNP0274142.0 [2,0,0,0,0,0|1,0,0]=3 354 B6R0.4 CCCSC(=O)C CNP0076500.0 [2,0,0,0,0,0|1,0,0]=3 355 B6R0.4 CCNCC(=O)O CNP0076362.0 [2,0,0,0,0,0|1,0,0]=3 356 B6R0.4 CCOCC(=O)N CNP0329352.0 [2,0,0,0,0,0|2,0,0]=4 357 B6R0.4 CCOCC(=O)O CNP0229583.0 [2,0,0,0,0,0|1,0,0]=3 358 B6R0.4 CNCCC(=O)O CNP0502963.0 [2,0,0,0,0,0|1,0,0]=3 359 B6R0.4 CSCCC(=O)C CNP0353152.0 [2,0,0,0,0,0|1,0,0]=3 360 B6R0.4 CSCCC(=O)N CNP0220146.0 [2,0,0,0,0,0|2,0,0]=4 361 B6R0.4 CSCCC(=O)O CNP0143779.0 [2,0,0,0,0,0|1,0,0]=3 362 B6R0.4 CSCSC(=O)C CNP0232862.0 [2,0,0,0,0,0|2,0,0]=4 363 B6R0.4 C[N+]CCC(=O)[O-] CNP0588104.0 [2,0,0,0,0,0|1,0,1]=4 364 B6R0.4 NC(=O)CCCO CNP0573523.0 [2,0,0,0,0,0|2,0,0]=4 365 B6R0.4 NCCCC(=O)O CNP0116256.0 [2,0,0,0,0,0|1,0,0]=3 366 B6R0.4 O=C(O)CCCO CNP0236331.0 [2,0,0,0,0,0|1,0,0]=3 367 B6R0.4 O=C([O-])CCCO CNP0492590.0 [2,0,0,0,0,0|1,0,1]=4 368 B6R0.4 O=CCCC(=O)O CNP0318740.0 [2,0,0,0,0,0|1,0,1]=4 369 B8R0.1 CC=CC(=O)CCCC CNP0170062.0 [1,1,0,0,0,0|1,0,1]=4 370 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [1,1,0,0,0,0|1,0,0]=3 371 B8R0.1 CCCC(S)CCOC CNP0309037.0 [1,1,0,0,0,0|0,0,1]=3 372 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,1,0,0,0,0|1,0,1]=4 373 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [1,1,0,0,0,0|1,0,1]=4 374 B8R0.4 C=CC=CCCCCC CNP0389218.0 [1,1,0,0,0,0|1,0,1]=4 375 B8R0.4 CC#CCCCCCC CNP0610539.0 [1,1,0,0,0,0|1,0,1]=4 376 B8R0.4 CC=C=CCCCCC CNP0555445.0 [1,1,0,0,0,0|1,0,0]=3 377 B8R0.4 CC=CC#CCCCC CNP0343796.0 [1,1,0,0,0,0|1,0,1]=4 378 B8R0.4 CC=CCCCCC=O CNP0181844.0 [1,1,0,0,0,0|1,0,1]=4 379 B8R0.4 CC=CCCCCCC CNP0241269.0 [1,1,0,0,0,0|1,0,0]=3 380 B8R0.4 CC=CCCCCCO CNP0534658.0 [1,1,0,0,0,0|1,0,0]=3 381 B8R0.4 CC=CSSCCCC CNP0612155.0 [1,1,0,0,0,0|2,0,0]=4 382 B8R0.4 CCC=CCCCCC CNP0539420.0 [1,1,0,0,0,0|1,0,0]=3 383 B8R0.4 CCC=CCCCCO CNP0192139.0 [1,1,0,0,0,0|1,0,1]=4 384 B8R0.4 CCCC=CCCCC CNP0594829.0 [1,1,0,0,0,0|1,0,1]=4 385 B8R0.4 CCCCC=CCCO CNP0221419.0 [1,1,0,0,0,0|1,0,1]=4 386 B8R0.4 CCCCC=COC=O CNP0604660.0 [1,1,0,0,0,0|0,0,2]=4 387 B8R0.4 CCCCCC=CC=O CNP0192932.0 [1,1,0,0,0,0|1,0,1]=4 388 B8R0.4 CCCCCC=CCO CNP0113756.0 [1,1,0,0,0,0|1,0,0]=3 389 B8R0.4 CCCCCCC=CO CNP0605778.0 [1,1,0,0,0,0|2,0,0]=4 390 B8R0.4 CCCCCCC=NO CNP0389770.0 [1,1,0,0,0,0|2,0,0]=4 391 B8R0.4 CCCCCCCCC CNP0402619.0 [1,1,0,0,0,0|1,0,1]=4 392 B8R0.4 CCCCCCCCN CNP0065900.0 [1,1,0,0,0,0|1,0,1]=4 393 B8R0.4 CCCCCCCCO CNP0368614.0 [1,1,0,0,0,0|1,0,1]=4 394 B8R0.4 CCCCCCCNC CNP0216624.0 [1,1,0,0,0,0|1,0,1]=4 395 B8R0.4 CCCCCCCOO CNP0566054.0 [1,1,0,0,0,0|1,0,1]=4 396 B8R0.4 CCCCCCOC=O CNP0086211.0 [1,1,0,0,0,0|0,0,2]=4 397 B8R0.4 CCCCCCOCC CNP0609034.0 [1,1,0,0,0,0|0,0,1]=3 398 B8R0.4 CCCCCCSSC CNP0510251.0 [1,1,0,0,0,0|0,1,1]=4 399 B8R0.4 CCCCNCCCC CNP0203128.0 [1,1,0,0,0,0|1,0,1]=4 400 B8R0.4 CCCCOCCCC CNP0077266.0 [1,1,0,0,0,0|1,0,1]=4 401 B8R0.4 CCCCSCCCC CNP0370059.0 [1,1,0,0,0,0|1,0,1]=4 402 B8R0.4 CCNCCCNCC CNP0239670.0 [1,1,0,0,0,0|2,0,0]=4 403 B8R0.4 COCCOCCOC CNP0466646.0 [1,1,0,0,0,0|1,0,1]=4 404 B8R0.4 CSCCCCC=NO CNP0070910.0 [1,1,0,0,0,0|2,0,0]=4 405 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,1,0,0,0,0|1,0,1]=4 406 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,1,0,0,0,0|1,0,1]=4 407 B8R0.7 CCCCC=CC(C)O CNP0003219.0 [1,1,0,0,0,0|1,0,1]=4 408 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,1,0,0,0,0|1,0,0]=3 409 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,1,0,0,0,0|1,0,0]=3 410 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,1,0,0,0,0|1,0,1]=4 411 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,1,0,0,0,0|1,0,1]=4 412 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,1,0,0,0,0|1,0,1]=4 413 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,1,0,0,0,0|1,0,1]=4 414 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,1,0,0,0,0|1,0,1]=4 415 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,1,0,0,0,0|1,0,1]=4 416 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,1,0,0,0,0|2,0,0]=4 417 B8R0.3 CCCC(=O)C(=O)CC CNP0163333.0 [1,1,0,0,0,0|1,0,1]=4 418 B8R0.3 CCC[C@@H](C)C(=O)CC CNP0243373.2 [1,1,0,0,0,0|1,0,0]=3 419 B8R0.3 CCC[C@H](C)C(=O)CC CNP0243373.1 [1,1,0,0,0,0|1,0,0]=3 420 B8R0.3 CCC[C@H](C)C(=O)OC CNP0002914.1 [1,1,0,0,0,0|0,0,0]=2 421 B8R0.3 CNC[C@@H](C)C(=O)OC CNP0198050.1 [1,1,0,0,0,0|1,0,0]=3 422 B8R0.3 COC[C@@H](N)C(=O)OC CNP0591691.1 [1,1,0,0,0,0|1,0,0]=3 423 B8R0.3 COC[C@H](N)C(=O)OC CNP0591691.2 [1,1,0,0,0,0|1,0,0]=3 424 B8R0.8 CCCCC(=O)C(=O)C CNP0125705.0 [1,1,0,0,0,0|1,0,0]=3 425 B8R0.8 CCCCC(=O)C(=O)O CNP0301313.0 [1,1,0,0,0,0|2,0,0]=4 426 B8R0.8 CCCCC(=O)C(C)C CNP0611681.0 [1,1,0,0,0,0|1,0,0]=3 427 B8R0.8 CCCCC(=O)C(C)O CNP0255331.0 [1,1,0,0,0,0|1,0,0]=3 428 B8R0.8 CCCCC(=O)[C@H](C)O CNP0255331.1 [1,1,0,0,0,0|1,0,0]=3 429 B8R0.8 CCCOC(=O)C(C)C CNP0084342.0 [1,1,0,0,0,0|2,0,0]=4 430 B8R0.8 CN(C)C(=O)CCCO CNP0335137.0 [1,1,0,0,0,0|2,0,0]=4 431 B8R0.8 CSCCC(=O)C(=O)C CNP0269009.0 [1,1,0,0,0,0|2,0,0]=4 432 B8R0.9 CCC(=O)CCC(=O)C CNP0351129.0 [1,1,0,0,0,0|1,0,1]=4 433 B8R0.9 CCC(=O)CCC(C)C CNP0542568.0 [1,1,0,0,0,0|1,0,0]=3 434 B8R0.9 CCC(=O)CC[C@H](C)O CNP0304826.1 [1,1,0,0,0,0|1,0,0]=3 435 B8R0.9 CCC(=O)OCC(C)C CNP0246924.0 [1,1,0,0,0,0|2,0,0]=4 436 B8R0.9 COC(=O)CC=C(C)C CNP0248108.0 [1,1,0,0,0,0|0,0,2]=4 437 B8R0.9 COC(=O)CCC(=O)C CNP0333853.0 [1,1,0,0,0,0|0,0,1]=3 438 B8R0.9 COC(=O)CCC(=O)N CNP0319465.0 [1,1,0,0,0,0|1,0,1]=4 439 B8R0.9 COC(=O)CCC(=O)O CNP0184181.0 [1,1,0,0,0,0|1,0,1]=4 440 B8R0.9 COC(=O)CCC(C)C CNP0318638.0 [1,1,0,0,0,0|0,0,0]=2 441 B8R0.9 COC(=O)CNC(=O)C CNP0234479.0 [1,1,0,0,0,0|1,0,1]=4 442 B8R0.9 CSC(=O)CCC(C)C CNP0017780.0 [1,1,0,0,0,0|0,1,0]=3 443 B8R0.11 CC=C(C=O)CCCC CNP0002855.0 [1,1,0,0,0,0|1,0,0]=3 444 B8R0.11 CCCC=C(C=O)CC CNP0088815.0 [1,1,0,0,0,0|1,0,1]=4 445 B8R0.11 CCCCC(=CO)CC CNP0529227.0 [1,1,0,0,0,0|1,0,1]=4 446 B8R0.11 CCCCC(OC)OC CNP0417281.0 [1,1,0,0,0,0|0,0,2]=4 447 B8R0.11 CCCC[C@@H](C=O)CC CNP0164543.1 [1,1,0,0,0,0|1,0,1]=4 448 B8R0.11 CCCC[C@H](C=O)CC CNP0164543.2 [1,1,0,0,0,0|1,0,1]=4 449 B8R0.19 CC=C(C)CC(=O)OC CNP0103912.0 [1,1,0,0,0,0|0,0,2]=4 450 B8R0.19 CCC(=CC(=O)OC)C CNP0599334.0 [1,1,0,0,0,0|0,0,2]=4 451 B8R0.19 CCC(=O)C[C@@H](C)CC CNP0076878.1 [1,1,0,0,0,0|1,0,0]=3 452 B8R0.19 CCC(=O)C[C@H](C)CC CNP0076878.2 [1,1,0,0,0,0|1,0,0]=3 453 B8R0.19 CCC(=O)O[C@@H](C)CC CNP0151376.1 [1,1,0,0,0,0|2,0,0]=4 454 B8R0.19 CC[C@H](C)CC(=O)OC CNP0302802.1 [1,1,0,0,0,0|0,0,0]=2 455 B8R0.19 CC[C@H](O)CC(=O)OC CNP0318883.1 [1,1,0,0,0,0|0,0,0]=2 456 B8R0.19 COC(=O)CC(=O)OC CNP0320608.0 [1,1,0,0,0,0|1,0,1]=4 457 B8R0.19 COC(=O)CC(C)SC CNP0007855.0 [1,1,0,0,0,0|1,0,0]=3 458 B8R0.5 C/C=C/[C@@H](O)CC(=O)O CNP0087305.2 [1,1,0,0,0,0|0,0,2]=4 459 B8R0.5 C/C=C/[C@H](O)CC(=O)O CNP0087305.1 [1,1,0,0,0,0|0,0,2]=4 460 B8R0.5 C=C(C)CC(C)CCC CNP0397067.0 [1,1,0,0,0,0|1,0,0]=3 461 B8R0.5 CCCC(=CC(=O)C)C CNP0608479.0 [1,1,0,0,0,0|0,0,2]=4 462 B8R0.5 CCCC(=CC(=O)O)C CNP0329572.0 [1,1,0,0,0,0|0,0,2]=4 463 B8R0.5 CCCC(=O)CC(=O)C CNP0351307.0 [1,1,0,0,0,0|0,0,1]=3 464 B8R0.5 CCCC(=O)CC(=O)O CNP0037462.0 [1,1,0,0,0,0|0,0,1]=3 465 B8R0.5 CCCC(C)CC(=O)C CNP0612236.0 [1,1,0,0,0,0|0,0,0]=2 466 B8R0.5 CCCC(C)CC(C)C CNP0086425.0 [1,1,0,0,0,0|1,0,1]=4 467 B8R0.5 CCCC(C)CC(C)O CNP0100557.0 [1,1,0,0,0,0|0,0,2]=4 468 B8R0.5 CCC[C@@H](O)CC(=O)O CNP0065850.1 [1,1,0,0,0,0|0,0,0]=2 469 B8R0.5 CCC[C@H](C)CC(=O)O CNP0320012.1 [1,1,0,0,0,0|0,0,0]=2 470 B8R0.5 CCC[C@H](C)OC(=O)C CNP0140745.1 [1,1,0,0,0,0|1,0,0]=3 471 B8R0.5 CCC[C@H](O)CC(=O)O CNP0065850.2 [1,1,0,0,0,0|0,0,0]=2 472 B8R0.5 CCOC(=O)CC(=O)C CNP0003525.0 [1,1,0,0,0,0|1,0,1]=4 473 B8R0.5 CCOC(=O)CC(=O)O CNP0380624.0 [1,1,0,0,0,0|1,0,1]=4 474 B8R0.5 COCC(C)OC(=O)C CNP0077230.0 [1,1,0,0,0,0|2,0,0]=4 475 B8R0.5 COO[C@@H](O)CC(=O)O CNP0148715.1 [1,1,0,0,0,0|2,0,0]=4 476 B8R0.5 NCC[C@H](O)CC(=O)O CNP0229084.1 [1,1,0,0,0,0|1,0,0]=3 477 B8R0.21 CCCCCC(C)(C)S CNP0505610.0 [1,1,0,0,0,0|0,1,1]=4 478 B8R0.21 CCCCOS(=O)(=O)C CNP0083521.0 [1,1,0,0,0,0|2,0,0]=4 479 B8R0.21 CCCCO[As](=O)(C)C CNP0018326.0 [1,1,0,0,0,0|2,0,0]=4 480 B8R0.28 C=C(C)CCCC(=O)C CNP0188769.0 [1,1,0,0,0,0|0,0,1]=3 481 B8R0.28 C=C(C)CCC[C@H](C)O CNP0136592.1 [1,1,0,0,0,0|1,0,0]=3 482 B8R0.28 C=C(C)CCOC(=O)C CNP0331473.0 [1,1,0,0,0,0|1,0,1]=4 483 B8R0.28 CC(=CCC[C@@H](C)O)C CNP0250398.2 [1,1,0,0,0,0|1,0,1]=4 484 B8R0.28 CC(=CCC[C@H](C)O)C CNP0250398.1 [1,1,0,0,0,0|1,0,1]=4 485 B8R0.28 CC(=O)C=CCC(C)C CNP0400137.0 [1,1,0,0,0,0|0,0,2]=4 486 B8R0.28 CC(=O)CCC=C(C)C CNP0330890.0 [1,1,0,0,0,0|0,0,2]=4 487 B8R0.28 CC(=O)CCCC(=O)C CNP0084433.0 [1,1,0,0,0,0|0,0,1]=3 488 B8R0.28 CC(=O)CCCC(=O)O CNP0456571.0 [1,1,0,0,0,0|0,0,1]=3 489 B8R0.28 CC(=O)CCCC(C)C CNP0354382.0 [1,1,0,0,0,0|0,0,0]=2 490 B8R0.28 CC(=O)CCOC(=O)C CNP0480131.0 [1,1,0,0,0,0|1,0,1]=4 491 B8R0.28 CC(=O)NCCC(=O)O CNP0454986.0 [1,1,0,0,0,0|1,0,1]=4 492 B8R0.28 CC(=O)NCCC(C)C CNP0189958.0 [1,1,0,0,0,0|1,0,0]=3 493 B8R0.28 CC(=O)OCCC(C)C CNP0303079.0 [1,1,0,0,0,0|1,0,0]=3 494 B8R0.28 CC(=O)OCCC(C)S CNP0003245.0 [1,1,0,0,0,0|1,0,0]=3 495 B8R0.28 CC(=S)OCCC(C)C CNP0547891.0 [1,1,0,0,0,0|1,1,0]=4 496 B8R0.28 CC(C)C=CCC(=O)O CNP0441019.0 [1,1,0,0,0,0|0,0,2]=4 497 B8R0.28 CC(C)CCCC(=O)N CNP0540876.0 [1,1,0,0,0,0|1,0,0]=3 498 B8R0.28 CC(C)CCCC(=O)O CNP0255582.0 [1,1,0,0,0,0|0,0,0]=2 499 B8R0.28 CC(C)CCCC(=O)S CNP0536483.0 [1,1,0,0,0,0|0,1,0]=3 500 B8R0.28 CC(C)CCCC(C)C CNP0166483.0 [1,1,0,0,0,0|1,0,1]=4 501 B8R0.28 CC(C)CCC[C@@H](C)N CNP0402006.1 [1,1,0,0,0,0|1,0,1]=4 502 B8R0.28 CC(C)CCC[C@H](C)N CNP0402006.2 [1,1,0,0,0,0|1,0,1]=4 503 B8R0.28 CC(C)CCC[C@H](C)O CNP0182781.1 [1,1,0,0,0,0|0,0,2]=4 504 B8R0.28 CC(O)CC=CC(=O)O CNP0482180.0 [1,1,0,0,0,0|0,0,2]=4 505 B8R0.28 CN(C)CCCC(=O)O CNP0321126.0 [1,1,0,0,0,0|1,0,0]=3 506 B8R0.28 C[C@@H](O)CCCC(=O)O CNP0082052.1 [1,1,0,0,0,0|0,0,0]=2 507 B8R0.28 O=C(O)CCCC(=O)O CNP0256820.0 [1,1,0,0,0,0|1,0,1]=4 508 B10R0.3 C=C(CCO)CCCC(C)C CNP0310766.0 [0,2,0,0,0,0|2,0,0]=4 509 B10R0.3 CC(=CCO)CCCC(C)C CNP0076235.0 [0,2,0,0,0,0|2,0,0]=4 510 B10R0.3 CCCC(=O)OCCC(C)C CNP0144794.0 [0,2,0,0,0,0|2,0,0]=4 511 B10R0.3 CCOC(=O)/C=C/C[C@H](C)O CNP0226246.1 [0,2,0,0,0,0|0,0,2]=4 512 B10R0.3 CCOC(=O)CCCC(=O)C CNP0564200.0 [0,2,0,0,0,0|0,0,1]=3 513 B10R0.3 CCOC(=O)CCCC(C)C CNP0181211.0 [0,2,0,0,0,0|0,0,0]=2 514 B10R0.3 CCOC(=O)CCCC(C)O CNP0612036.0 [0,2,0,0,0,0|0,0,0]=2 515 B10R0.3 COCC(=O)NCCC(C)C CNP0213339.0 [0,2,0,0,0,0|1,0,0]=3 516 B10R0.44 CCC(=O)C[C@H](O)CC(C)C CNP0208665.1 [0,2,0,0,0,0|1,0,0]=3 517 B10R0.57 COC(=O)C(N)CCC(=O)O CNP0082233.0 [0,2,0,0,0,0|1,0,1]=4 518 B10R0.57 COC(=O)[C@H](N)CCC(=O)N CNP0111984.1 [0,2,0,0,0,0|1,0,1]=4 519 B10R0.59 CC/C(=C/CC[C@@H](O)CC)/C CNP0213896.1 [0,2,0,0,0,0|2,0,0]=4 520 B10R0.59 CC/C(=C/CC[C@H](O)CC)/C CNP0213896.2 [0,2,0,0,0,0|2,0,0]=4 521 B10R0.59 COC(=O)CCCC(=O)OC CNP0334682.0 [0,2,0,0,0,0|0,0,1]=3 522 B10R0.59 COC(=O)COCC(=O)OC CNP0414365.0 [0,2,0,0,0,0|1,0,1]=4 523 B10R0.60 C=C(CC)CCCC(C)(C)O CNP0076164.0 [0,2,0,0,0,0|2,0,0]=4 524 B10R0.82 C=C(C)C(=O)OCC(C)CC CNP0528381.0 [0,2,0,0,0,0|2,0,0]=4 525 B10R0.82 CC[C@H](C)COC(=O)C(C)C CNP0174044.1 [0,2,0,0,0,0|2,0,0]=4 526 B10R0.98 CC(=O)C(=O)OCCC(C)C CNP0002700.0 [0,2,0,0,0,0|2,0,0]=4 527 B10R0.98 CC(C)CCOC(=O)C(C)C CNP0252990.0 [0,2,0,0,0,0|2,0,0]=4 528 B10R0.98 CC(C)CCOC(=O)C(C)O CNP0486512.0 [0,2,0,0,0,0|2,0,0]=4 529 B10R0.1 CCC=CCCC(=O)OCC CNP0128665.0 [0,2,0,0,0,0|0,0,1]=3 530 B10R0.1 CCCC(=O)CCCCCO CNP0177163.0 [0,2,0,0,0,0|1,0,0]=3 531 B10R0.1 CCCC(=O)NCCCCCl CNP0333987.0 [0,2,0,0,0,0|2,0,0]=4 532 B10R0.1 CCCC(=O)OCCCSC CNP0006534.0 [0,2,0,0,0,0|2,0,0]=4 533 B10R0.1 CCCCC=CC(=O)OCC CNP0074971.0 [0,2,0,0,0,0|0,0,1]=3 534 B10R0.1 CCCCCCC(=O)CCO CNP0040088.0 [0,2,0,0,0,0|1,0,0]=3 535 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,2,0,0,0,0|0,0,0]=2 536 B10R0.1 CCCCCOC(=O)CCC CNP0232104.0 [0,2,0,0,0,0|1,0,0]=3 537 B10R0.1 CCCCCO[C@H](C)OCC CNP0125234.1 [0,2,0,0,0,0|1,0,1]=4 538 B10R0.1 CCOC(=O)CCCCSC CNP0264286.0 [0,2,0,0,0,0|0,0,0]=2 539 B10R0.2 CCCC(=O)CC(=O)OCC CNP0003512.0 [0,2,0,0,0,0|0,0,1]=3 540 B10R0.2 CCCC(=O)OC(C)CCC CNP0118403.0 [0,2,0,0,0,0|2,0,0]=4 541 B10R0.2 CCCC(O)CC(=O)OCC CNP0256152.0 [0,2,0,0,0,0|0,0,0]=2 542 B10R0.2 CCOC(=O)CC(=O)OCC CNP0079918.0 [0,2,0,0,0,0|1,0,1]=4 543 B10R0.6 CCCCCC(=O)C=C(C)C CNP0610551.0 [0,2,0,0,0,0|1,0,0]=3 544 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,2,0,0,0,0|1,0,1]=4 545 B10R0.6 CCCCCC(=O)OC(C)C CNP0202716.0 [0,2,0,0,0,0|0,0,0]=2 546 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,2,0,0,0,0|1,0,1]=4 547 B10R0.6 CCCCOC(=O)CC(=O)C CNP0002486.0 [0,2,0,0,0,0|2,0,0]=4 548 B10R0.6 CCCCOC(=O)CC(C)C CNP0084165.0 [0,2,0,0,0,0|2,0,0]=4 549 B10R0.6 CCCCOC(=O)C[C@@H](C)O CNP0226564.2 [0,2,0,0,0,0|2,0,0]=4 550 B10R0.6 CCCCOC(=O)C[C@H](C)O CNP0226564.1 [0,2,0,0,0,0|2,0,0]=4 551 B10R0.19 CCCCC(O)C(=O)OCC CNP0612227.0 [0,2,0,0,0,0|0,0,0]=2 552 B10R0.19 CCCC[C@H](Br)C(=O)OCC CNP0154903.1 [0,2,0,0,0,0|0,0,0]=2 553 B10R0.19 CCOC(=O)[C@@H](N)CCSC CNP0177391.1 [0,2,0,0,0,0|1,0,0]=3 554 B10R0.24 CCCCC=C(C=O)CCC CNP0589946.0 [0,2,0,0,0,0|1,0,1]=4 555 B10R0.83 CC=C(C)C(=O)CCCCC CNP0394780.0 [0,2,0,0,0,0|1,0,0]=3 556 B10R0.83 CC=C(C)C(=O)OCCCC CNP0152613.0 [0,2,0,0,0,0|2,0,0]=4 557 B10R0.83 CCCCCC(N)C(=O)NC CNP0600257.0 [0,2,0,0,0,0|1,0,0]=3 558 B10R0.83 CCCCOC(=O)[C@H](C)CC CNP0310161.1 [0,2,0,0,0,0|2,0,0]=4 559 B10R0.83 COC(=O)C(N)CCCCN CNP0071113.0 [0,2,0,0,0,0|0,0,0]=2 560 B10R0.91 C=CCOC(=O)C=CCCC CNP0004248.0 [0,2,0,0,0,0|0,0,2]=4 561 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,2,0,0,0,0|0,0,0]=2 562 B10R0.91 C=CCSC(=O)CCCCC CNP0018361.0 [0,2,0,0,0,0|0,1,0]=3 563 B10R0.91 CCC=CC(=O)CCCCC CNP0076921.0 [0,2,0,0,0,0|1,0,0]=3 564 B10R0.91 CCCCC(=O)CCCCO CNP0289121.0 [0,2,0,0,0,0|2,0,0]=4 565 B10R0.91 CCCCCC(=O)C#CCO CNP0412381.0 [0,2,0,0,0,0|1,0,0]=3 566 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [0,2,0,0,0,0|1,0,1]=4 567 B10R0.91 CCCCCC(=O)C=CCO CNP0135755.0 [0,2,0,0,0,0|1,0,0]=3 568 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,2,0,0,0,0|1,0,0]=3 569 B10R0.91 CCCCCC(=O)CCCC CNP0609052.0 [0,2,0,0,0,0|1,0,0]=3 570 B10R0.91 CCCCCC(=O)OCCC CNP0003080.0 [0,2,0,0,0,0|0,0,0]=2 571 B10R0.91 CCCCCC(=O)OCSC CNP0354839.0 [0,2,0,0,0,0|0,0,0]=2 572 B10R0.91 CCCCCC(=O)SCCC CNP0018084.0 [0,2,0,0,0,0|0,1,0]=3 573 B10R0.91 CCCCOC(=O)CCCC CNP0085853.0 [0,2,0,0,0,0|2,0,0]=4 574 B10R0.91 CCCC[Se]C(=O)CCCC CNP0604167.0 [0,2,0,0,0,0|2,0,0]=4 575 B10R0.108 C=C(CCBr)CCC(=O)OC CNP0344449.0 [0,2,0,0,0,0|0,0,1]=3 576 B10R0.108 CCCC(=O)OCC(C)CC CNP0003450.0 [0,2,0,0,0,0|2,0,0]=4 577 B10R0.46 CCC(=O)[C@@H](C)C[C@@H](C)CC CNP0266310.1 [0,2,0,0,0,0|1,0,0]=3 578 B10R0.46 COC(=O)C(C)CC(C)CO CNP0593548.0 [0,2,0,0,0,0|1,0,0]=3 579 B10R0.46 COC(=O)C[C@@H](O)C(=O)OC CNP0140271.1 [0,2,0,0,0,0|1,0,1]=4 580 B10R0.46 COC(=O)C[C@H](N)C(=O)OC CNP0177660.1 [0,2,0,0,0,0|1,0,1]=4 581 B10R0.46 COC(=O)C[C@H](O)C(=O)OC CNP0140271.2 [0,2,0,0,0,0|1,0,1]=4 582 B10R0.81 CCCC[C@@H](Br)C(=O)C(Br)Br CNP0305184.2 [0,2,0,0,0,0|2,0,0]=4 583 B10R0.81 CCCC[C@H](Br)C(=O)C(Br)Br CNP0305184.1 [0,2,0,0,0,0|2,0,0]=4 584 B10R0.81 CCCC[C@H](I)C(=O)C(Br)Br CNP0250666.1 [0,2,0,0,0,0|2,0,0]=4 585 B10R0.85 CCCC[C@@H](CC)C(=O)OC CNP0295957.1 [0,2,0,0,0,0|0,0,0]=2 586 B10R0.85 CCOC[C@@H](NC)C(=O)OC CNP0524975.1 [0,2,0,0,0,0|1,0,0]=3 587 B10R0.85 CCOC[C@H](NC)C(=O)OC CNP0524975.2 [0,2,0,0,0,0|1,0,0]=3 588 B10R0.85 CN[C@@H](CCSC)C(=O)OC CNP0087048.1 [0,2,0,0,0,0|1,0,0]=3 589 B10R0.124 CCCCC(Br)(Br)C(=O)CBr CNP0241772.0 [0,2,0,0,0,0|2,0,0]=4 590 B10R0.124 CCCCC(Br)(Br)C(=O)CI CNP0256582.0 [0,2,0,0,0,0|2,0,0]=4 591 B10R0.18 CCCCC(=O)CC(=O)OC CNP0554371.0 [0,2,0,0,0,0|0,0,0]=2 592 B10R0.41 CCCCCCC(=NO)CC CNP0390787.0 [0,2,0,0,0,0|1,0,1]=4 593 B10R0.41 CCCCCCC(OC)OC CNP0402550.0 [0,2,0,0,0,0|0,0,2]=4 594 B10R0.55 COC(=O)CCCCC(=O)C CNP0524250.0 [0,2,0,0,0,0|0,0,0]=2 595 B10R0.55 COC(=O)CCCCC(=O)O CNP0188266.0 [0,2,0,0,0,0|0,0,1]=3 596 B10R0.55 COC(=O)CCCCC(C)C CNP0109196.0 [0,2,0,0,0,0|0,0,0]=2 597 B10R0.55 COC(=O)CCCNC(=N)N CNP0188338.0 [0,2,0,0,0,0|1,0,1]=4 598 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,2,0,0,0,0|1,0,1]=4 599 B10R0.74 C=CCC=CCCC(=O)OC CNP0061280.0 [0,2,0,0,0,0|0,0,2]=4 600 B10R0.74 CCC=CCCCC(=O)OC CNP0397287.0 [0,2,0,0,0,0|0,0,0]=2 601 B10R0.74 CCC=CCCOC(=O)CC CNP0215397.0 [0,2,0,0,0,0|1,0,1]=4 602 B10R0.74 CCCC#CC=CC(=O)OC CNP0126459.0 [0,2,0,0,0,0|0,0,2]=4 603 B10R0.74 CCCC=CCCC(=O)OC CNP0209155.0 [0,2,0,0,0,0|0,0,0]=2 604 B10R0.74 CCCC=CCOC(=O)CC CNP0003460.0 [0,2,0,0,0,0|1,0,1]=4 605 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,2,0,0,0,0|0,0,0]=2 606 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,2,0,0,0,0|0,0,0]=2 607 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,2,0,0,0,0|1,0,0]=3 608 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,2,0,0,0,0|0,0,0]=2 609 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,2,0,0,0,0|1,0,0]=3 610 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,2,0,0,0,0|0,1,0]=3 611 B10R0.74 CCCCCCCC(C)OC CNP0223394.0 [0,2,0,0,0,0|1,0,1]=4 612 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,2,0,0,0,0|1,0,0]=3 613 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,2,0,0,0,0|2,0,0]=4 614 B10R0.75 CCCCCOC(=O)C(C)C CNP0172576.0 [0,2,0,0,0,0|1,0,0]=3 615 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [0,2,0,0,0,0|2,0,0]=4 616 B10R0.86 CCCCCC(=C(C)C)CC CNP0525945.0 [0,2,0,0,0,0|2,0,0]=4 617 B10R0.86 CCCCCC(CC)C(=O)O CNP0026234.0 [0,2,0,0,0,0|1,0,1]=4 618 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|1,0,1]=4 619 B8R1.2 CCC1CCCCC1 CNP0300322.0 [1,0,0,1,0,0|1,0,1]=4 620 B8R1.2 CNC1CCCCC1 CNP0474937.0 [1,0,0,1,0,0|1,0,1]=4 621 B8R1.2 COC1=CCCCC1 CNP0354574.0 [1,0,0,1,0,0|0,0,1]=3 622 B8R1.2 N=C=C1CCCCC1 CNP0105477.0 [1,0,0,1,0,0|2,0,0]=4 623 B8R1.2 OC[C@@H]1CC=CCC1 CNP0119836.2 [1,0,0,1,0,0|2,0,0]=4 624 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [1,0,0,1,0,0|1,0,1]=4 625 B8R1.2 OC[C@H]1CC=CCC1 CNP0119836.1 [1,0,0,1,0,0|2,0,0]=4 626 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [1,0,0,1,0,0|1,0,1]=4 627 B8R1.2 ON=C1CCCCC1 CNP0102527.0 [1,0,0,1,0,0|2,0,0]=4 628 B8R1.5 CC1=CCCC[C@@H]1O CNP0368729.1 [1,0,0,1,0,0|2,0,0]=4 629 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [1,0,0,1,0,0|2,0,0]=4 630 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [1,0,0,1,0,0|1,0,1]=4 631 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [1,0,0,1,0,0|1,0,1]=4 632 B8R1.8 CCC=C1CCCC1 CNP0325076.0 [1,0,0,1,0,0|1,0,1]=4 633 B8R1.8 CCCC1CCCC1 CNP0271421.0 [1,0,0,1,0,0|1,0,1]=4 634 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [1,0,0,1,0,0|1,0,1]=4 635 B8R1.10 CCCCC1CCC1 CNP0281769.0 [1,0,0,1,0,0|1,0,1]=4 636 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [1,0,0,1,0,0|1,0,1]=4 637 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [1,0,0,1,0,0|1,0,1]=4 638 B8R1.22 CC1CCCCCC1 CNP0214318.0 [1,0,0,1,0,0|1,0,1]=4 639 B8R1.36 CCCCCC1CC1 CNP0610547.0 [1,0,0,1,0,0|1,0,1]=4 640 B8R1.36 CCCOCC1CO1 CNP0085753.0 [1,0,0,1,0,0|1,0,1]=4 641 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|1,0,0]=3 642 B8R1.1 CC[C@@H]1CCC(=O)O1 CNP0276218.2 [1,0,0,1,0,0|2,0,0]=4 643 B8R1.1 CC[C@@H]1COC(=S)N1 CNP0247188.2 [1,0,0,1,0,0|1,1,0]=4 644 B8R1.1 CC[C@H]1CCC(=O)O1 CNP0276218.1 [1,0,0,1,0,0|2,0,0]=4 645 B8R1.1 CC[C@H]1COC(=O)C1 CNP0207946.1 [1,0,0,1,0,0|0,0,0]=2 646 B8R1.1 CC[C@H]1COC(=S)N1 CNP0247188.1 [1,0,0,1,0,0|1,1,0]=4 647 B8R1.1 CO[C@@H]1COC(=O)C1 CNP0018508.1 [1,0,0,1,0,0|1,0,0]=3 648 B8R1.1 O=C1CC[C@@H](C1)CO CNP0540442.1 [1,0,0,1,0,0|2,0,0]=4 649 B8R1.3 CC1CCC(=O)CC1 CNP0165916.0 [1,0,0,1,0,0|1,0,0]=3 650 B8R1.3 CC1CCC(=O)CO1 CNP0611860.0 [1,0,0,1,0,0|2,0,0]=4 651 B8R1.3 CN1CCC(=O)CC1 CNP0180189.0 [1,0,0,1,0,0|2,0,0]=4 652 B8R1.3 O=C1CCC(=O)OC1 CNP0357956.0 [1,0,0,1,0,0|1,0,1]=4 653 B8R1.50 CC1=C(C(=O)CC1)C CNP0395678.0 [1,0,0,1,0,0|1,0,1]=4 654 B8R1.50 CC1=C(C(CC1)C)C CNP0610113.0 [1,0,0,1,0,0|2,0,0]=4 655 B8R1.50 CC1OCC(=O)C1C CNP0086303.0 [1,0,0,1,0,0|2,0,0]=4 656 B8R1.50 C[C@@H]1CSC(=O)[C@H]1C CNP0371983.1 [1,0,0,1,0,0|2,0,0]=4 657 B8R1.50 C[C@H]1CCC(=O)C1=O CNP0124225.1 [1,0,0,1,0,0|2,0,0]=4 658 B8R1.4 CC1=CC(=O)CCC1 CNP0209762.0 [1,0,0,1,0,0|0,0,2]=4 659 B8R1.4 CC1=CC(CCC1)C CNP0085833.0 [1,0,0,1,0,0|1,0,0]=3 660 B8R1.4 CC1=CCCC(=O)C1 CNP0076330.0 [1,0,0,1,0,0|0,0,2]=4 661 B8R1.4 CC1=CCC[C@H](O1)C CNP0262118.1 [1,0,0,1,0,0|0,0,2]=4 662 B8R1.4 CC1=C[C@@H](CCC1)O CNP0215038.1 [1,0,0,1,0,0|2,0,0]=4 663 B8R1.4 CC1CC=CC(=O)C1 CNP0522143.0 [1,0,0,1,0,0|0,0,2]=4 664 B8R1.4 CC1CCOC(=O)C1 CNP0282964.0 [1,0,0,1,0,0|1,0,0]=3 665 B8R1.4 C[C@@H]1CC=CC(=O)O1 CNP0386711.2 [1,0,0,1,0,0|0,0,2]=4 666 B8R1.4 C[C@@H]1CCCC(=O)C1 CNP0243495.2 [1,0,0,1,0,0|0,0,0]=2 667 B8R1.4 C[C@@H]1CCCC(=O)O1 CNP0340427.1 [1,0,0,1,0,0|0,0,0]=2 668 B8R1.4 C[C@@H]1CCC[C@@H](C1)C CNP0169936.1 [1,0,0,1,0,0|1,0,1]=4 669 B8R1.4 C[C@@H]1CCC[C@@H](C1)O CNP0155717.1 [1,0,0,1,0,0|0,0,2]=4 670 B8R1.4 C[C@@H]1CCC[C@@H](N1)C CNP0277987.1 [1,0,0,1,0,0|1,0,1]=4 671 B8R1.4 C[C@@H]1CCC[C@H](C1)C CNP0169936.2 [1,0,0,1,0,0|1,0,1]=4 672 B8R1.4 C[C@@H]1CCC[C@H](C1)O CNP0155717.2 [1,0,0,1,0,0|0,0,2]=4 673 B8R1.4 C[C@@H]1CCC[C@H](N1)C CNP0277987.2 [1,0,0,1,0,0|1,0,1]=4 674 B8R1.4 C[C@H]1CC=CC(=O)O1 CNP0386711.1 [1,0,0,1,0,0|0,0,2]=4 675 B8R1.4 C[C@H]1CCCC(=O)C1 CNP0243495.1 [1,0,0,1,0,0|0,0,0]=2 676 B8R1.4 C[C@H]1CCCC(=O)O1 CNP0340427.2 [1,0,0,1,0,0|0,0,0]=2 677 B8R1.4 C[C@H]1CCC[C@@H](C1)O CNP0155717.3 [1,0,0,1,0,0|0,0,2]=4 678 B8R1.4 C[C@H]1CCC[C@H](C1)O CNP0155717.4 [1,0,0,1,0,0|0,0,2]=4 679 B8R1.4 C[C@H]1CCNC(=S)O1 CNP0313391.1 [1,0,0,1,0,0|1,1,0]=4 680 B8R1.4 O=C1CCCC(=O)O1 CNP0609625.0 [1,0,0,1,0,0|1,0,1]=4 681 B8R1.7 CC(=O)C1=NCCC1 CNP0003511.0 [1,0,0,1,0,0|1,0,1]=4 682 B8R1.7 CC(=O)C1CCCN1 CNP0077115.0 [1,0,0,1,0,0|1,0,0]=3 683 B8R1.7 CC(=O)C1CCSS1 CNP0238288.0 [1,0,0,1,0,0|2,0,0]=4 684 B8R1.7 CC(C)C1CCCC1 CNP0315126.0 [1,0,0,1,0,0|1,0,1]=4 685 B8R1.7 CC(O)C1CCCC1 CNP0082077.0 [1,0,0,1,0,0|0,0,2]=4 686 B8R1.7 NC(=O)N1CCCC1 CNP0254929.0 [1,0,0,1,0,0|2,0,0]=4 687 B8R1.7 NC(=O)[C@@H]1CCCN1 CNP0120914.1 [1,0,0,1,0,0|2,0,0]=4 688 B8R1.7 O=C(O)C1=NCCC1 CNP0021263.0 [1,0,0,1,0,0|1,0,1]=4 689 B8R1.7 O=C(O)C1CCCC1 CNP0135626.0 [1,0,0,1,0,0|0,0,0]=2 690 B8R1.7 O=C(O)C1CCCS1 CNP0033094.0 [1,0,0,1,0,0|1,0,0]=3 691 B8R1.7 O=C(O)C1CCSS1 CNP0533688.0 [1,0,0,1,0,0|2,0,0]=4 692 B8R1.7 O=C(O)C1CSSC1 CNP0289414.0 [1,0,0,1,0,0|2,0,0]=4 693 B8R1.7 O=C(O)[C@@H]1C=CCC1 CNP0310576.1 [1,0,0,1,0,0|0,0,2]=4 694 B8R1.7 O=C(O)[C@@H]1CCC=N1 CNP0252420.1 [1,0,0,1,0,0|1,0,1]=4 695 B8R1.7 O=C(O)[C@@H]1CCCN1 CNP0219104.1 [1,0,0,1,0,0|1,0,0]=3 696 B8R1.7 O=C(O)[C@@H]1CCNC1 CNP0278075.2 [1,0,0,1,0,0|1,0,0]=3 697 B8R1.7 O=C(O)[C@@H]1CSCN1 CNP0229322.3 [1,0,0,1,0,0|2,0,0]=4 698 B8R1.7 O=C(O)[C@@H]1NCCS1 CNP0319074.2 [1,0,0,1,0,0|2,0,0]=4 699 B8R1.7 O=C(O)[C@H]1CCCN1 CNP0219104.2 [1,0,0,1,0,0|1,0,0]=3 700 B8R1.7 O=C(O)[C@H]1CCCO1 CNP0573832.1 [1,0,0,1,0,0|1,0,0]=3 701 B8R1.7 O=C(O)[C@H]1CCNC1 CNP0278075.1 [1,0,0,1,0,0|1,0,0]=3 702 B8R1.7 O=C(O)[C@H]1CSCN1 CNP0229322.2 [1,0,0,1,0,0|2,0,0]=4 703 B8R1.7 O=C(O)[C@H]1NCCS1 CNP0319074.1 [1,0,0,1,0,0|2,0,0]=4 704 B8R1.19 CC1CCCS1(=O)=O CNP0560961.0 [1,0,0,1,0,0|1,0,1]=4 705 B8R1.19 C[C@H]1CCCC1(C)C CNP0142130.1 [1,0,0,1,0,0|1,0,1]=4 706 B8R1.20 C=C1C[C@H]1CC(=O)O CNP0279840.1 [1,0,0,1,0,0|0,0,2]=4 707 B8R1.31 N[C@H]1CO[C@H]1C(=O)O CNP0307308.1 [1,0,0,1,0,0|2,0,0]=4 708 B8R1.43 CCC1OC1C(=O)C CNP0555842.0 [1,0,0,1,0,0|1,0,0]=3 709 B8R1.72 CC1(CCCCC1)C CNP0281819.0 [1,0,0,1,0,0|1,0,1]=4 710 B8R1.72 CC1(CCCCC1)O CNP0084309.0 [1,0,0,1,0,0|0,0,2]=4 711 B8R1.72 C[N+]1(CCCCC1)[O-] CNP0052569.0 [1,0,0,1,0,0|1,0,1]=4 712 B10R1.13 C=C(C)C1CCC(=O)CC1 CNP0563054.0 [0,1,0,1,0,0|1,0,1]=4 713 B10R1.13 C=C1CCC(CC1)C(C)C CNP0118012.0 [0,1,0,1,0,0|2,0,0]=4 714 B10R1.13 CC(C)C1CCC(=O)CC1 CNP0418719.0 [0,1,0,1,0,0|1,0,0]=3 715 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 CNP0293305.1 [0,1,0,1,0,0|1,0,1]=4 716 B10R1.13 CC(C)[C@H]1C=CC(=O)CC1 CNP0293305.2 [0,1,0,1,0,0|1,0,1]=4 717 B10R1.13 CC1=CC[C@@H](CC1)C(C)C CNP0188222.2 [0,1,0,1,0,0|2,0,0]=4 718 B10R1.13 CC1=CC[C@H](CC1)C(C)C CNP0188222.1 [0,1,0,1,0,0|2,0,0]=4 719 B10R1.13 C[C@@H](O)C1CCC(=O)CC1 CNP0080675.1 [0,1,0,1,0,0|1,0,0]=3 720 B10R1.13 C[C@H](O)C1CCC(=O)CC1 CNP0080675.2 [0,1,0,1,0,0|1,0,0]=3 721 B10R1.14 COC(=O)[C@@H]1CCC(=N1)O CNP0499878.1 [0,1,0,1,0,0|1,0,1]=4 722 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 CNP0373996.2 [0,1,0,1,0,0|1,0,1]=4 723 B10R1.14 COC(=O)[C@@H]1CS[S@@+](C1)[O-] CNP0482624.1 [0,1,0,1,0,0|2,0,0]=4 724 B10R1.14 COC(=O)[C@@H]1CS[S@@H+](C1)[O-] CNP0496688.1 [0,1,0,1,0,0|2,0,0]=4 725 B10R1.14 COC(=O)[C@H]1CCC(=N1)O CNP0499878.2 [0,1,0,1,0,0|1,0,1]=4 726 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CNP0373996.1 [0,1,0,1,0,0|1,0,1]=4 727 B10R1.14 COC(=O)[C@H]1C[C@H](CN1)O CNP0033658.1 [0,1,0,1,0,0|1,0,0]=3 728 B10R1.54 O=C(O)C[C@H]1COC(=O)C1 CNP0303223.1 [0,1,0,1,0,0|1,0,1]=4 729 B10R1.194 CC(C)C1CCC(=O)C1=O CNP0002623.0 [0,1,0,1,0,0|2,0,0]=4 730 B10R1.197 CN[C@H]1CCCC(=O)CC1 CNP0227098.1 [0,1,0,1,0,0|1,0,0]=3 731 B10R1.197 COC1=CCCC(=O)CC1 CNP0219290.0 [0,1,0,1,0,0|1,0,1]=4 732 B10R1.206 COC(=O)/C=C/[C@@H]1O[C@@H]1C CNP0362787.1 [0,1,0,1,0,0|0,0,2]=4 733 B10R1.206 COC(=O)/C=C/[C@@H]1O[C@H]1C CNP0362787.4 [0,1,0,1,0,0|0,0,2]=4 734 B10R1.206 COC(=O)/C=C/[C@H]1O[C@@H]1C CNP0362787.2 [0,1,0,1,0,0|0,0,2]=4 735 B10R1.206 COC(=O)/C=C/[C@H]1O[C@H]1C CNP0362787.3 [0,1,0,1,0,0|0,0,2]=4 736 B10R1.302 CC1(C=CC(=O)CCC1)C CNP0102920.0 [0,1,0,1,0,0|1,0,1]=4 737 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,1,0,1,0,0|0,0,2]=4 738 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,1,0,1,0,0|2,0,0]=4 739 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,1,0,1,0,0|2,0,0]=4 740 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,1,0,1,0,0|2,0,0]=4 741 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CNP0206039.2 [0,1,0,1,0,0|1,0,0]=3 742 B10R1.11 CCOC(=O)[C@H]1CCNC1 CNP0206039.1 [0,1,0,1,0,0|1,0,0]=3 743 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [0,1,0,1,0,0|1,0,1]=4 744 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [0,1,0,1,0,0|1,0,1]=4 745 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [0,1,0,1,0,0|1,0,1]=4 746 B10R1.25 CC[C@@H]1COC(=O)C[C@H]1O CNP0109096.1 [0,1,0,1,0,0|0,0,0]=2 747 B10R1.25 CC[C@H]1COC(=O)C[C@H]1O CNP0109096.2 [0,1,0,1,0,0|0,0,0]=2 748 B10R1.29 C=CCCC1CCOC1=O CNP0609800.0 [0,1,0,1,0,0|0,0,2]=4 749 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|0,0,0]=2 750 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,1,0,1,0,0|1,0,1]=4 751 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,1,0,1,0,0|1,0,0]=3 752 B10R1.135 CCOC(=O)C1CC1CO CNP0490095.0 [0,1,0,1,0,0|1,0,0]=3 753 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [0,1,0,1,0,0|2,0,0]=4 754 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [0,1,0,1,0,0|1,0,0]=3 755 B10R1.15 CCC(=O)C1CCCCN1 CNP0080269.0 [0,1,0,1,0,0|1,0,0]=3 756 B10R1.15 CNC(=O)C1CCCCC1 CNP0263233.0 [0,1,0,1,0,0|1,0,0]=3 757 B10R1.15 COC(=O)C1=CCCNC1 CNP0313313.0 [0,1,0,1,0,0|0,0,2]=4 758 B10R1.15 COC(=O)C1C=CCCC1 CNP0071902.0 [0,1,0,1,0,0|0,0,1]=3 759 B10R1.15 COC(=O)C1CCCCC1 CNP0393903.0 [0,1,0,1,0,0|0,0,0]=2 760 B10R1.15 COC(=O)C1CSSSC1 CNP0208641.0 [0,1,0,1,0,0|2,0,0]=4 761 B10R1.15 COC(=O)[C@@H]1CCCCN1 CNP0308533.1 [0,1,0,1,0,0|0,0,0]=2 762 B10R1.34 CCC1CC(C(=O)C1=O)C CNP0002849.0 [0,1,0,1,0,0|2,0,0]=4 763 B10R1.94 CCCC1=C(C(=O)CC1)O CNP0414058.0 [0,1,0,1,0,0|2,0,0]=4 764 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [0,1,0,1,0,0|1,0,1]=4 765 B10R1.119 CN1C(=O)[C@@H](CC[C@H]1O)O CNP0116469.1 [0,1,0,1,0,0|2,0,0]=4 766 B10R1.332 O=C1CCC(C(CO1)O)O CNP0245181.0 [0,1,0,1,0,0|1,0,0]=3 767 B10R1.411 COC(=O)C1(CCCC1)N CNP0570869.0 [0,1,0,1,0,0|0,0,0]=2 768 B10R1.411 COC(=O)[C@@]1(CCSC1)N CNP0515749.2 [0,1,0,1,0,0|1,0,0]=3 769 B10R1.411 COC(=O)[C@]1(CCSC1)N CNP0515749.1 [0,1,0,1,0,0|1,0,0]=3 770 B10R1.300 C=C1CCCCCC1(C)O CNP0611548.0 [0,1,0,1,0,0|2,0,0]=4 771 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,1,0,1,0,0|1,0,1]=4 772 B10R1.473 CCC1(CCC(=O)CC1)O CNP0380589.0 [0,1,0,1,0,0|1,0,0]=3 773 B10R1.473 CCC1(CNC(=O)CO1)C CNP0130864.0 [0,1,0,1,0,0|2,0,0]=4 774 B10R1.473 CC[C@]1(CNC(=O)CO1)C CNP0130864.1 [0,1,0,1,0,0|2,0,0]=4 775 B10R1.22 CC1=C(C(=O)C[C@@H](C1)O)C CNP0299225.1 [0,1,0,1,0,0|1,0,1]=4 776 B10R1.27 CCC(=O)CN1CCCC1 CNP0002600.0 [0,1,0,1,0,0|1,0,0]=3 777 B10R1.27 COC(=O)CC1CCCN1 CNP0483269.0 [0,1,0,1,0,0|0,0,0]=2 778 B10R1.149 COC(=O)[C@@H]1CCCN1N CNP0562271.1 [0,1,0,1,0,0|1,0,0]=3 779 B10R1.2 C[C@H]1CCC/C(=N/O)/C1=O CNP0226443.1 [0,1,0,1,0,0|2,0,0]=4 780 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,1,0,1,0,0|0,0,0]=2 781 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,1,0,1,0,0|1,0,0]=3 782 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,1,0,1,0,0|1,0,0]=3 783 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [0,1,0,1,0,0|2,0,0]=4 784 B10R1.113 C=C(C)C1=CC(CCC1)C CNP0596114.0 [0,1,0,1,0,0|2,0,0]=4 785 B10R1.487 COC1(CCCCC1)OC CNP0076484.0 [0,1,0,1,0,0|0,0,2]=4 786 B10R2.36 O=C1[C@@H]2CC[C@@H]([C@H]1C2)O CNP0519128.1 [0,0,0,2,0,0|2,0,0]=4 787 B10R2.25 CC1=C([C@H]2CC[C@@H]1C2)C CNP0320008.1 [0,0,0,2,0,0|2,0,0]=4 788 B10R2.179 CC12CCCC(=O)C1O2 CNP0566501.0 [0,0,0,2,0,0|2,0,0]=4 789 B10R2.244 O=C1NCCCC2C1O2 CNP0610958.0 [0,0,0,2,0,0|2,0,0]=4 790 B10R2.244 O=C1NCCC[C@@H]2[C@H]1O2 CNP0610958.1 [0,0,0,2,0,0|2,0,0]=4 791 B10R2.2 O=C1C=C2CCCC2C1 CNP0500354.0 [0,0,0,2,0,0|1,0,1]=4 792 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,0,0,2,0,0|1,0,0]=3 793 B10R2.320 O=C1C[C@@H]2N1CCCS2 CNP0187320.1 [0,0,0,2,0,0|2,0,0]=4