0 B8R0.4 C=CC=CCCCCC CNP0389218.0 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.4 C=CCCCCCC=C CNP0320273.0 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.4 C=CCCCCCC=O CNP0184185.0 [0,0,0,0,0,0|1,0,2]=3 3 B8R0.4 C=CCCCCCCC CNP0317850.0 [0,0,0,0,0,0|2,0,0]=2 4 B8R0.4 C=CCCCCCCO CNP0610530.0 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.4 CC#CCCCCCC CNP0610539.0 [0,0,0,0,0,0|2,0,1]=3 6 B8R0.4 CC=C=CCCCCC CNP0555445.0 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.4 CC=CC#CCCCC CNP0343796.0 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.4 CC=CCCC=CC=O CNP0002598.0 [0,0,0,0,0,0|1,0,3]=4 9 B8R0.4 CC=CCCCCC=O CNP0181844.0 [0,0,0,0,0,0|1,0,2]=3 10 B8R0.4 CC=CCCCCCC CNP0241269.0 [0,0,0,0,0,0|2,0,0]=2 11 B8R0.4 CC=CCCCCCO CNP0534658.0 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.4 CC=CSSCCCC CNP0612155.0 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.4 CCC=CCCCC=O CNP0002614.0 [0,0,0,0,0,0|1,0,2]=3 14 B8R0.4 CCC=CCCCCC CNP0539420.0 [0,0,0,0,0,0|2,0,2]=4 15 B8R0.4 CCC=CCCOC=O CNP0053041.0 [0,0,0,0,0,0|0,0,2]=2 16 B8R0.4 CCCC=CC=CC=O CNP0226923.0 [0,0,0,0,0,0|1,0,3]=4 17 B8R0.4 CCCC=CCOC=O CNP0131807.0 [0,0,0,0,0,0|0,0,2]=2 18 B8R0.4 CCCCC=CCC=O CNP0207183.0 [0,0,0,0,0,0|1,0,2]=3 19 B8R0.4 CCCCC=COC=O CNP0604660.0 [0,0,0,0,0,0|0,0,2]=2 20 B8R0.4 CCCCCC=CC=O CNP0192932.0 [0,0,0,0,0,0|1,0,1]=2 21 B8R0.4 CCCCCC=CCO CNP0113756.0 [0,0,0,0,0,0|1,0,3]=4 22 B8R0.4 CCCCCCC=CO CNP0605778.0 [0,0,0,0,0,0|1,0,1]=2 23 B8R0.4 CCCCCCC=NO CNP0389770.0 [0,0,0,0,0,0|2,0,1]=3 24 B8R0.4 CCCCCCCC#N CNP0112630.0 [0,0,0,0,0,0|2,0,1]=3 25 B8R0.4 CCCCCCCC=O CNP0146292.0 [0,0,0,0,0,0|1,0,0]=1 26 B8R0.4 CCCCCCCCC CNP0402619.0 [0,0,0,0,0,0|2,0,1]=3 27 B8R0.4 CCCCCCCCN CNP0065900.0 [0,0,0,0,0,0|2,0,1]=3 28 B8R0.4 CCCCCCCCO CNP0368614.0 [0,0,0,0,0,0|1,0,2]=3 29 B8R0.4 CCCCCCCNC CNP0216624.0 [0,0,0,0,0,0|3,0,0]=3 30 B8R0.4 CCCCCCCOO CNP0566054.0 [0,0,0,0,0,0|2,0,1]=3 31 B8R0.4 CCCCCCC[11CH]=O CNP0546456.0 [0,0,0,0,0,0|1,0,0]=1 32 B8R0.4 CCCCCCN=C=S CNP0253332.0 [0,0,0,0,0,0|1,1,1]=3 33 B8R0.4 CCCCCCOC=O CNP0086211.0 [0,0,0,0,0,0|0,0,0]=0 34 B8R0.4 CCCCCCOCC CNP0609034.0 [0,0,0,0,0,0|1,0,1]=2 35 B8R0.4 CCCCCCSSC CNP0510251.0 [0,0,0,0,0,0|2,1,0]=3 36 B8R0.4 CCCCNCCCC CNP0203128.0 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.4 CCCCOCCCC CNP0077266.0 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.4 CCCCOCCCO CNP0141373.0 [0,0,0,0,0,0|2,0,2]=4 39 B8R0.4 CCCCSCCCC CNP0370059.0 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.4 CCNCCCNCC CNP0239670.0 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.4 CCOCCOCCO CNP0079970.0 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.4 CSCCCCC=NO CNP0070910.0 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.4 CSCCCCCC#N CNP0267304.0 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.4 CSCCCCN=C=S CNP0241465.0 [0,0,0,0,0,0|2,1,1]=4 45 B8R0.4 CSCCCCSC#N CNP0216108.0 [0,0,0,0,0,0|2,1,1]=4 46 B8R0.4 CSCCCN=CC=S CNP0098576.0 [0,0,0,0,0,0|3,1,0]=4 47 B8R0.4 CSCCC[N+]=CC=S CNP0575670.0 [0,0,0,0,0,0|3,1,0]=4 48 B7R0.1 C=CC=CCCCC CNP0084214.0 [1,0,0,0,0,0|1,0,2]=4 49 B7R0.1 C=CCCCC=CC CNP0076717.0 [1,0,0,0,0,0|1,0,2]=4 50 B7R0.1 C=CCCCCC=C CNP0118215.0 [1,0,0,0,0,0|1,0,2]=4 51 B7R0.1 C=CCCCCCC CNP0246919.0 [1,0,0,0,0,0|1,0,0]=2 52 B7R0.1 C=CCCCCCO CNP0075956.0 [1,0,0,0,0,0|2,0,0]=3 53 B7R0.1 C=CCSSCCC CNP0170059.0 [1,0,0,0,0,0|3,0,0]=4 54 B7R0.1 CC=CCCCCC CNP0199237.0 [1,0,0,0,0,0|1,0,1]=3 55 B7R0.1 CC=CCSCCC CNP0536250.0 [1,0,0,0,0,0|2,0,1]=4 56 B7R0.1 CCC=CCCC=O CNP0265888.0 [1,0,0,0,0,0|0,0,2]=3 57 B7R0.1 CCCC=CCC=O CNP0201799.0 [1,0,0,0,0,0|0,0,2]=3 58 B7R0.1 CCCCC=CC=O CNP0210810.0 [1,0,0,0,0,0|0,0,2]=3 59 B7R0.1 CCCCCCC#N CNP0186663.0 [1,0,0,0,0,0|1,0,1]=3 60 B7R0.1 CCCCCCC=O CNP0243745.0 [1,0,0,0,0,0|0,0,0]=1 61 B7R0.1 CCCCCCCC CNP0286567.0 [1,0,0,0,0,0|1,0,1]=3 62 B7R0.1 CCCCCCCN CNP0186919.0 [1,0,0,0,0,0|1,0,1]=3 63 B7R0.1 CCCCCCCO CNP0329737.0 [1,0,0,0,0,0|0,0,2]=3 64 B7R0.1 CCCCCCNC CNP0413437.0 [1,0,0,0,0,0|1,0,1]=3 65 B7R0.1 CCCCCN=C=S CNP0391667.0 [1,0,0,0,0,0|1,1,1]=4 66 B7R0.1 CCCCCOC=O CNP0294368.0 [1,0,0,0,0,0|0,0,0]=1 67 B7R0.1 CCCCCOCC CNP0520137.0 [1,0,0,0,0,0|1,0,1]=3 68 B7R0.1 CCCCCON=O CNP0511882.0 [1,0,0,0,0,0|1,0,0]=2 69 B7R0.1 CCCCCSSC CNP0201479.0 [1,0,0,0,0,0|1,1,1]=4 70 B7R0.1 CCCCN=CC=S CNP0423600.0 [1,0,0,0,0,0|1,1,1]=4 71 B7R0.1 CCCCNCCO CNP0185911.0 [1,0,0,0,0,0|1,0,2]=4 72 B7R0.1 CCCCOCCO CNP0080154.0 [1,0,0,0,0,0|1,0,2]=4 73 B7R0.1 CCCC[N+]=CC=S CNP0578229.0 [1,0,0,0,0,0|1,1,1]=4 74 B7R0.1 CCNCCCCN CNP0107714.0 [1,0,0,0,0,0|2,0,1]=4 75 B7R0.1 CNCCCCCN CNP0390055.0 [1,0,0,0,0,0|2,0,1]=4 76 B7R0.1 CNCCCCNC CNP0145070.0 [1,0,0,0,0,0|2,0,1]=4 77 B7R0.1 COCCOCCO CNP0610336.0 [1,0,0,0,0,0|2,0,1]=4 78 B7R0.1 CSCCCCC#N CNP0183103.0 [1,0,0,0,0,0|2,0,1]=4 79 B7R0.1 NCCCCCCN CNP0230906.0 [1,0,0,0,0,0|2,0,1]=4 80 B7R0.1 NCCCCCCO CNP0568466.0 [1,0,0,0,0,0|1,0,2]=4 81 B7R0.1 NCCCCCNO CNP0455910.0 [1,0,0,0,0,0|2,0,1]=4 82 B7R0.1 OCCCCCCBr CNP0593386.0 [1,0,0,0,0,0|1,0,2]=4 83 B7R0.1 OCCCCCCO CNP0080019.0 [1,0,0,0,0,0|1,0,2]=4 84 B7R0.1 OCCCCCCS CNP0154751.0 [1,0,0,0,0,0|1,0,2]=4 85 B7R0.1 SCCCCCCS CNP0089642.0 [1,0,0,0,0,0|1,1,1]=4 86 B7R0.1 [CH2-]CCCCCC#[O+] CNP0489135.0 [1,0,0,0,0,0|0,0,3]=4 87 B9R0.2 C=C/C=C\CCC[C@@H](C)O CNP0169759.1 [0,1,0,0,0,0|2,0,1]=4 88 B9R0.2 C=C/C=C\CCC[C@H](C)O CNP0169759.2 [0,1,0,0,0,0|2,0,1]=4 89 B9R0.2 C=CCCCCCC(=O)C CNP0160913.0 [0,1,0,0,0,0|1,0,2]=4 90 B9R0.2 CC(=O)CCCCCCO CNP0501685.0 [0,1,0,0,0,0|2,0,0]=3 91 B9R0.2 CC(=O)NCCCCCN CNP0366211.0 [0,1,0,0,0,0|2,0,0]=3 92 B9R0.2 CC(C)CCCCCC=O CNP0541884.0 [0,1,0,0,0,0|1,0,0]=2 93 B9R0.2 CC=CCCCOC(=O)C CNP0248523.0 [0,1,0,0,0,0|0,0,2]=3 94 B9R0.2 CC=CCSCCC(C)C CNP0480091.0 [0,1,0,0,0,0|3,0,0]=4 95 B9R0.2 CCC=CCCCC(=O)O CNP0227056.0 [0,1,0,0,0,0|1,0,2]=4 96 B9R0.2 CCC=CCCOC(=O)C CNP0265323.0 [0,1,0,0,0,0|0,0,2]=3 97 B9R0.2 CCCC=CCCC(=O)C CNP0193124.0 [0,1,0,0,0,0|1,0,2]=4 98 B9R0.2 CCCC=CCCC(=O)O CNP0173555.0 [0,1,0,0,0,0|1,0,2]=4 99 B9R0.2 CCCC=CCOC(=O)C CNP0181998.0 [0,1,0,0,0,0|0,0,2]=3 100 B9R0.2 CCCCC=CCC(=O)O CNP0229088.0 [0,1,0,0,0,0|1,0,2]=4 101 B9R0.2 CCCCC=COC(=O)C CNP0481499.0 [0,1,0,0,0,0|0,0,2]=3 102 B9R0.2 CCCCCC=CC(=O)C CNP0269922.0 [0,1,0,0,0,0|1,0,1]=3 103 B9R0.2 CCCCCC=CC(=O)O CNP0184671.0 [0,1,0,0,0,0|1,0,1]=3 104 B9R0.2 CCCCCCCC(=O)C CNP0364677.0 [0,1,0,0,0,0|1,0,0]=2 105 B9R0.2 CCCCCCCC(=O)Cl CNP0103465.0 [0,1,0,0,0,0|1,0,0]=2 106 B9R0.2 CCCCCCCC(=O)N CNP0331649.0 [0,1,0,0,0,0|1,0,0]=2 107 B9R0.2 CCCCCCCC(=O)O CNP0295653.0 [0,1,0,0,0,0|1,0,0]=2 108 B9R0.2 CCCCCCCC(=O)[O-] CNP0500893.0 [0,1,0,0,0,0|1,0,0]=2 109 B9R0.2 CCCCCCCC(=O)[O-] CNP0511604.0 [0,1,0,0,0,0|1,0,0]=2 110 B9R0.2 CCCCCCCC(=O)[O-] CNP0512624.0 [0,1,0,0,0,0|1,0,0]=2 111 B9R0.2 CCCCCCCC(=O)[O-] CNP0547610.0 [0,1,0,0,0,0|1,0,0]=2 112 B9R0.2 CCCCCCCC(=O)[O-] CNP0574369.0 [0,1,0,0,0,0|1,0,0]=2 113 B9R0.2 CCCCCCCC(=O)[O-] CNP0581537.0 [0,1,0,0,0,0|1,0,0]=2 114 B9R0.2 CCCCCCCC(C)C CNP0389961.0 [0,1,0,0,0,0|2,0,1]=4 115 B9R0.2 CCCCCCC[C@@H](C)O CNP0111016.1 [0,1,0,0,0,0|1,0,2]=4 116 B9R0.2 CCCCCCC[C@H](C)O CNP0111016.2 [0,1,0,0,0,0|1,0,2]=4 117 B9R0.2 CCCCCCC[N+](=O)O CNP0592647.0 [0,1,0,0,0,0|2,0,0]=3 118 B9R0.2 CCCCCCC[N+](=O)[O-] CNP0548878.0 [0,1,0,0,0,0|2,0,0]=3 119 B9R0.2 CCCCCCOC(=O)C CNP0292917.0 [0,1,0,0,0,0|0,0,0]=1 120 B9R0.2 CCCCOCCC(=O)O CNP0103655.0 [0,1,0,0,0,0|2,0,0]=3 121 B9R0.2 CCOCCOCC(=O)O CNP0083036.0 [0,1,0,0,0,0|3,0,0]=4 122 B9R0.2 CSCCCCNC(=N)S CNP0609247.0 [0,1,0,0,0,0|2,1,0]=4 123 B9R0.2 CSCCCCNC(=S)N CNP0329860.0 [0,1,0,0,0,0|2,1,0]=4 124 B9R0.2 N=C(N)NCCCCCN CNP0326805.0 [0,1,0,0,0,0|3,0,0]=4 125 B9R0.2 O=C(O)CCCCCCS CNP0359132.0 [0,1,0,0,0,0|2,0,0]=3 126 B9R0.5 C=CCC(=O)CCCCC CNP0108996.0 [0,1,0,0,0,0|2,0,1]=4 127 B9R0.5 C=CCC(O)CCCCC CNP0609867.0 [0,1,0,0,0,0|2,0,0]=3 128 B9R0.5 C=COC(=O)CCCCC CNP0521245.0 [0,1,0,0,0,0|1,0,1]=3 129 B9R0.5 CC=CC(=O)CCCCC CNP0176491.0 [0,1,0,0,0,0|2,0,1]=4 130 B9R0.5 CC=CCCC(=O)CCC CNP0280412.0 [0,1,0,0,0,0|2,0,1]=4 131 B9R0.5 CCCC(=O)CCCC=O CNP0599929.0 [0,1,0,0,0,0|1,0,1]=3 132 B9R0.5 CCCCCC(=O)OCC CNP0149883.0 [0,1,0,0,0,0|1,0,2]=4 133 B9R0.5 CCCCC[C@@H](C)CC=O CNP0044104.1 [0,1,0,0,0,0|1,0,0]=2 134 B9R0.5 CCCCC[C@H](C)CC=O CNP0044104.2 [0,1,0,0,0,0|1,0,0]=2 135 B9R0.5 CCCCC[C@H](C)CCC CNP0345469.1 [0,1,0,0,0,0|2,0,1]=4 136 B9R0.5 CCCCC[C@H](C)NC=O CNP0539161.1 [0,1,0,0,0,0|1,0,0]=2 137 B9R0.5 CCCCC[C@H](O)/C=C/I CNP0530671.1 [0,1,0,0,0,0|2,0,0]=3 138 B9R0.5 CCCCC[C@H](O)CCC CNP0294811.1 [0,1,0,0,0,0|2,0,1]=4 139 B9R0.5 CCCCC[C@H](O)CCO CNP0370820.1 [0,1,0,0,0,0|1,0,2]=4 140 B9R0.5 CCCCO[C@H](C)OCC CNP0212958.1 [0,1,0,0,0,0|2,0,1]=4 141 B9R0.18 CCCCC(=O)C=CC=O CNP0505457.0 [0,1,0,0,0,0|1,0,2]=4 142 B9R0.45 C#CC=CCCCCCC CNP0397372.0 [0,1,0,0,0,0|2,0,0]=3 143 B9R0.45 C#CCCCCCCCC CNP0272182.0 [0,1,0,0,0,0|2,0,1]=4 144 B9R0.45 C=CC=CCCCCCC CNP0513469.0 [0,1,0,0,0,0|2,0,0]=3 145 B9R0.45 C=CCCCCC=CC=O CNP0336922.0 [0,1,0,0,0,0|1,0,2]=4 146 B9R0.45 C=CCCCCCCC=C CNP0335598.0 [0,1,0,0,0,0|2,0,1]=4 147 B9R0.45 C=CCCCCCCCC CNP0330037.0 [0,1,0,0,0,0|2,0,0]=3 148 B9R0.45 C=CCCCCCCCO CNP0326407.0 [0,1,0,0,0,0|2,0,0]=3 149 B9R0.45 CC#CCCCCCCC CNP0076890.0 [0,1,0,0,0,0|2,0,1]=4 150 B9R0.45 CC=CC=CCCCCC CNP0327405.0 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.45 CC=CCSSCCCC CNP0548815.0 [0,1,0,0,0,0|3,0,0]=4 152 B9R0.45 CCC#CCCCCCC CNP0606734.0 [0,1,0,0,0,0|2,0,1]=4 153 B9R0.45 CCC=CCCC=CC=O CNP0253048.0 [0,1,0,0,0,0|1,0,2]=4 154 B9R0.45 CCC=CCCCCC=O CNP0136988.0 [0,1,0,0,0,0|1,0,1]=3 155 B9R0.45 CCC=CCCCCCC CNP0223572.0 [0,1,0,0,0,0|2,0,0]=3 156 B9R0.45 CCC=CCCCCCO CNP0246173.0 [0,1,0,0,0,0|3,0,0]=4 157 B9R0.45 CCCCC=CC=CC=O CNP0175411.0 [0,1,0,0,0,0|1,0,2]=4 158 B9R0.45 CCCCC=CCCC=O CNP0314028.0 [0,1,0,0,0,0|1,0,1]=3 159 B9R0.45 CCCCCC=CCC=O CNP0158662.0 [0,1,0,0,0,0|1,0,1]=3 160 B9R0.45 CCCCCCC#CCO CNP0485953.0 [0,1,0,0,0,0|1,0,2]=4 161 B9R0.45 CCCCCCC=CC=O CNP0163216.0 [0,1,0,0,0,0|1,0,0]=2 162 B9R0.45 CCCCCCC=CCO CNP0303395.0 [0,1,0,0,0,0|1,0,1]=3 163 B9R0.45 CCCCCCCC=C=O CNP0527715.0 [0,1,0,0,0,0|1,0,0]=2 164 B9R0.45 CCCCCCCC=CO CNP0085832.0 [0,1,0,0,0,0|1,0,1]=3 165 B9R0.45 CCCCCCCC=NO CNP0247046.0 [0,1,0,0,0,0|1,0,1]=3 166 B9R0.45 CCCCCCCCC#N CNP0309769.0 [0,1,0,0,0,0|2,0,1]=4 167 B9R0.45 CCCCCCCCC=O CNP0328165.0 [0,1,0,0,0,0|1,0,0]=2 168 B9R0.45 CCCCCCCCCC CNP0279708.0 [0,1,0,0,0,0|2,0,1]=4 169 B9R0.45 CCCCCCCCCI CNP0565198.0 [0,1,0,0,0,0|2,0,1]=4 170 B9R0.45 CCCCCCCCCO CNP0307663.0 [0,1,0,0,0,0|1,0,2]=4 171 B9R0.45 CCCCCCCCOC CNP0305574.0 [0,1,0,0,0,0|1,0,2]=4 172 B9R0.45 CCCCCCCNC=O CNP0503918.0 [0,1,0,0,0,0|1,0,0]=2 173 B9R0.45 CCCCCCCOC=O CNP0272781.0 [0,1,0,0,0,0|0,0,0]=1 174 B9R0.45 CCCCCCCOCC CNP0144632.0 [0,1,0,0,0,0|1,0,1]=3 175 B9R0.45 CCCCCCOCCC CNP0488672.0 [0,1,0,0,0,0|1,0,1]=3 176 B9R0.45 CCCCCOCCCC CNP0134382.0 [0,1,0,0,0,0|2,0,1]=4 177 B9R0.45 CCCCOCCCCO CNP0571704.0 [0,1,0,0,0,0|1,0,2]=4 178 B9R0.45 CCOCCOCCOC CNP0567615.0 [0,1,0,0,0,0|2,0,1]=4 179 B9R0.45 CSCCCCCC#[N+][O-] CNP0559721.0 [0,1,0,0,0,0|2,0,1]=4 180 B9R0.45 CSCCCCCC=NO CNP0405939.0 [0,1,0,0,0,0|2,0,1]=4 181 B9R0.45 CSCCCCCCC#N CNP0328653.0 [0,1,0,0,0,0|2,0,1]=4 182 B9R0.45 CSCCCCCN=C=S CNP0328420.0 [0,1,0,0,0,0|1,1,1]=4 183 B9R0.45 NCCCCCCCCN CNP0462737.0 [0,1,0,0,0,0|2,0,1]=4 184 B9R0.45 NCCCNCCCC=O CNP0100864.0 [0,1,0,0,0,0|2,0,0]=3 185 B9R0.45 OCCCCCCCCO CNP0076363.0 [0,1,0,0,0,0|1,0,2]=4 186 B9R0.45 SCCCCCCCCS CNP0058300.0 [0,1,0,0,0,0|1,1,1]=4 187 B9R0.46 C=CC(=O)CCCCCC CNP0199222.0 [0,1,0,0,0,0|2,0,0]=3 188 B9R0.46 C=CCCCCC(=O)CC CNP0107479.0 [0,1,0,0,0,0|2,0,1]=4 189 B9R0.46 C=C[C@@H](O)CCCCCC CNP0310616.2 [0,1,0,0,0,0|2,0,0]=3 190 B9R0.46 C=C[C@@H](O)CCCCCO CNP0167960.1 [0,1,0,0,0,0|3,0,0]=4 191 B9R0.46 C=C[C@H](O)CCCCCC CNP0310616.1 [0,1,0,0,0,0|2,0,0]=3 192 B9R0.46 C=C[C@H](O)CCCCCO CNP0167960.2 [0,1,0,0,0,0|3,0,0]=4 193 B9R0.46 CCCCCC=C(C)C=O CNP0094185.0 [0,1,0,0,0,0|1,0,1]=3 194 B9R0.46 CCCCCCC(=NO)C CNP0380359.0 [0,1,0,0,0,0|2,0,1]=4 195 B9R0.46 CCCCCCC(=O)CC CNP0226154.0 [0,1,0,0,0,0|2,0,1]=4 196 B9R0.46 CCCCCCC(=O)NN CNP0349501.0 [0,1,0,0,0,0|3,0,0]=4 197 B9R0.46 CCCCCCC(=O)OC CNP0149439.0 [0,1,0,0,0,0|3,0,0]=4 198 B9R0.46 CCCCCCC(C)C=O CNP0003353.0 [0,1,0,0,0,0|1,0,0]=2 199 B9R0.46 CCCCCCC(C)CO CNP0611666.0 [0,1,0,0,0,0|1,0,2]=4 200 B9R0.46 CCCCCCC(C)NN CNP0592321.0 [0,1,0,0,0,0|3,0,0]=4 201 B9R0.46 CCCCCC[C@@H](C)CC CNP0315749.1 [0,1,0,0,0,0|2,0,1]=4 202 B9R0.46 CCCCCC[C@@H](O)CC CNP0164339.1 [0,1,0,0,0,0|2,0,1]=4 203 B9R0.46 CCCCCC[C@@H](O)CO CNP0150758.1 [0,1,0,0,0,0|1,0,2]=4 204 B9R0.46 CCCCCC[C@H](C)OC CNP0198435.1 [0,1,0,0,0,0|3,0,0]=4 205 B9R0.46 CCCCCC[C@H](O)CC CNP0164339.2 [0,1,0,0,0,0|2,0,1]=4 206 B9R0.46 CCCSSC[C@H](N)C=O CNP0579506.1 [0,1,0,0,0,0|3,0,0]=4 207 B9R0.46 CC[C@H](C)CCCCCO CNP0220176.1 [0,1,0,0,0,0|1,0,2]=4 208 B9R1.5 CC1CCCCCC1=O CNP0489162.0 [0,0,0,1,0,0|1,0,0]=2 209 B9R1.5 C[C@H]1CCCCOC1=O CNP0187217.1 [0,0,0,1,0,0|0,0,0]=1 210 B9R1.5 N[C@H]1CCCCNC1=O CNP0290610.1 [0,0,0,1,0,0|2,0,0]=3 211 B9R1.8 C=CCC1CCCCC1 CNP0156672.0 [0,0,0,1,0,0|2,0,0]=3 212 B9R1.8 C=CCN1CCCCC1 CNP0188708.0 [0,0,0,1,0,0|3,0,0]=4 213 B9R1.8 CCCC1CCCCC1 CNP0158548.0 [0,0,0,1,0,0|2,0,1]=4 214 B9R1.8 CCC[C@@H]1CCCCN1 CNP0295617.2 [0,0,0,1,0,0|2,0,1]=4 215 B9R1.8 CCC[C@H]1CCCCN1 CNP0295617.1 [0,0,0,1,0,0|2,0,1]=4 216 B9R1.8 NCCC1CCCCC1 CNP0424532.0 [0,0,0,1,0,0|2,0,1]=4 217 B9R1.8 O=CNC1CCCCC1 CNP0083588.0 [0,0,0,1,0,0|1,0,0]=2 218 B9R1.8 O=COC1CCCCC1 CNP0229569.0 [0,0,0,1,0,0|0,0,0]=1 219 B9R1.8 OCCC1C=CCCC1 CNP0071903.0 [0,0,0,1,0,0|3,0,0]=4 220 B9R1.8 S=C=NC1CCCCC1 CNP0109516.0 [0,0,0,1,0,0|1,1,1]=4 221 B9R1.12 CCCCC1=COC=N1 CNP0003922.0 [0,0,0,1,0,0|1,0,2]=4 222 B9R1.12 CCCC[C@@H]1CCSC1 CNP0199750.1 [0,0,0,1,0,0|1,1,1]=4 223 B9R1.12 CCCC[C@H]1CCCO1 CNP0135592.1 [0,0,0,1,0,0|1,0,2]=4 224 B9R1.14 CC[C@@H]1CCC[C@H]1C=O CNP0253782.2 [0,0,0,1,0,0|1,0,0]=2 225 B9R1.14 CC[C@H]1CCC=C1C=O CNP0161388.1 [0,0,0,1,0,0|1,0,1]=3 226 B9R1.14 CC[C@H]1CCC[C@H]1C=O CNP0253782.1 [0,0,0,1,0,0|1,0,0]=2 227 B9R1.15 CC[C@@H]1CCCCC1=O CNP0225469.1 [0,0,0,1,0,0|1,0,0]=2 228 B9R1.15 CC[C@H]1CCCC[C@H]1C CNP0240068.1 [0,0,0,1,0,0|2,0,1]=4 229 B9R1.15 CO[C@@H]1CCCCC1=O CNP0076472.1 [0,0,0,1,0,0|2,0,0]=3 230 B9R1.15 CO[C@H]1CCCCC1=O CNP0076472.2 [0,0,0,1,0,0|2,0,0]=3 231 B9R1.15 O=C1COCCC1CO CNP0612158.0 [0,0,0,1,0,0|3,0,0]=4 232 B9R1.15 O=C1NCCC[C@H]1NO CNP0181841.1 [0,0,0,1,0,0|3,0,0]=4 233 B9R1.16 CCCCCC1CC1C CNP0611992.0 [0,0,0,1,0,0|2,0,1]=4 234 B9R1.17 CCCCC[C@@H]1CCS1 CNP0189963.1 [0,0,0,1,0,0|1,1,1]=4 235 B9R1.20 CCC1OC1C=CC=O CNP0007771.0 [0,0,0,1,0,0|2,0,1]=4 236 B9R1.50 CC1CCCCCCC1 CNP0421481.0 [0,0,0,1,0,0|2,0,1]=4 237 B9R1.50 O=C1CCCCCCC1 CNP0203513.0 [0,0,0,1,0,0|1,0,0]=2 238 B9R1.83 C=CCCCC[C@@H]1CO1 CNP0393072.1 [0,0,0,1,0,0|3,0,0]=4 239 B9R1.103 C1CCCCCCCC1 CNP0112399.0 [0,0,0,1,0,0|2,0,1]=4 240 B9R1.103 C1CCCSSSCC1 CNP0537108.0 [0,0,0,1,0,0|1,2,0]=4 241 B6R0.6 C#CCCCCO CNP0289179.0 [2,0,0,0,0,0|0,0,2]=4 242 B6R0.6 C=CCCCCC CNP0226691.0 [2,0,0,0,0,0|0,0,1]=3 243 B6R0.6 C=CCCCCO CNP0162421.0 [2,0,0,0,0,0|0,0,2]=4 244 B6R0.6 C=CCSCCC CNP0150756.0 [2,0,0,0,0,0|1,0,1]=4 245 B6R0.6 C=COCCCC CNP0077236.0 [2,0,0,0,0,0|1,0,0]=3 246 B6R0.6 CC#CCCCO CNP0320046.0 [2,0,0,0,0,0|0,0,2]=4 247 B6R0.6 CC=CCCC=O CNP0056069.0 [2,0,0,0,0,0|0,0,2]=4 248 B6R0.6 CC=CCCCC CNP0158475.0 [2,0,0,0,0,0|1,0,1]=4 249 B6R0.6 CC=CCCCO CNP0309139.0 [2,0,0,0,0,0|0,0,2]=4 250 B6R0.6 CCC#CCCO CNP0170517.0 [2,0,0,0,0,0|0,0,2]=4 251 B6R0.6 CCC=CCC=O CNP0227189.0 [2,0,0,0,0,0|0,0,2]=4 252 B6R0.6 CCC=CCCO CNP0255718.0 [2,0,0,0,0,0|0,0,2]=4 253 B6R0.6 CCCC#CCO CNP0314465.0 [2,0,0,0,0,0|0,0,2]=4 254 B6R0.6 CCCC=CC=O CNP0263913.0 [2,0,0,0,0,0|0,0,2]=4 255 B6R0.6 CCCC=CCO CNP0254124.0 [2,0,0,0,0,0|0,0,2]=4 256 B6R0.6 CCCCC=CO CNP0511187.0 [2,0,0,0,0,0|0,0,2]=4 257 B6R0.6 CCCCC=NO CNP0149695.0 [2,0,0,0,0,0|1,0,1]=4 258 B6R0.6 CCCCCC#N CNP0412353.0 [2,0,0,0,0,0|1,0,1]=4 259 B6R0.6 CCCCCC=O CNP0304790.0 [2,0,0,0,0,0|0,0,0]=2 260 B6R0.6 CCCCCCC CNP0290800.0 [2,0,0,0,0,0|0,0,1]=3 261 B6R0.6 CCCCCCN CNP0213933.0 [2,0,0,0,0,0|1,0,0]=3 262 B6R0.6 CCCCCCO CNP0317600.0 [2,0,0,0,0,0|0,0,0]=2 263 B6R0.6 CCCCCCS CNP0167948.0 [2,0,0,0,0,0|0,1,0]=3 264 B6R0.6 CCCCCC[O-] CNP0579903.0 [2,0,0,0,0,0|0,0,1]=3 265 B6R0.6 CCCCCNC CNP0276164.0 [2,0,0,0,0,0|1,0,1]=4 266 B6R0.6 CCCCCOC CNP0358174.0 [2,0,0,0,0,0|0,0,1]=3 267 B6R0.6 CCCCCSC CNP0293012.0 [2,0,0,0,0,0|0,1,1]=4 268 B6R0.6 CCCCCSS CNP0228282.0 [2,0,0,0,0,0|0,2,0]=4 269 B6R0.6 CCCCNC=O CNP0082472.0 [2,0,0,0,0,0|1,0,0]=3 270 B6R0.6 CCCCOC=O CNP0282325.0 [2,0,0,0,0,0|0,0,0]=2 271 B6R0.6 CCCCON=O CNP0003508.0 [2,0,0,0,0,0|1,0,0]=3 272 B6R0.6 CCCNCCC CNP0129820.0 [2,0,0,0,0,0|1,0,1]=4 273 B6R0.6 CCCOCCO CNP0079853.0 [2,0,0,0,0,0|1,0,0]=3 274 B6R0.6 CCCSCCC CNP0173387.0 [2,0,0,0,0,0|1,0,1]=4 275 B6R0.6 CCOCCCO CNP0304052.0 [2,0,0,0,0,0|1,0,0]=3 276 B6R0.6 CCOCCCS CNP0267296.0 [2,0,0,0,0,0|1,1,0]=4 277 B6R0.6 CCSCCCO CNP0355297.0 [2,0,0,0,0,0|1,0,0]=3 278 B6R0.6 CNCCCCN CNP0157274.0 [2,0,0,0,0,0|2,0,0]=4 279 B6R0.6 COCCCCO CNP0570905.0 [2,0,0,0,0,0|1,0,0]=3 280 B6R0.6 CSCCCC=O CNP0002814.0 [2,0,0,0,0,0|1,0,0]=3 281 B6R0.6 CSCCCCO CNP0002400.0 [2,0,0,0,0,0|1,0,0]=3 282 B6R0.6 NCCCCC=O CNP0083786.0 [2,0,0,0,0,0|1,0,0]=3 283 B6R0.6 NCCCCCN CNP0184259.0 [2,0,0,0,0,0|2,0,0]=4 284 B6R0.6 NCCCCCO CNP0032450.0 [2,0,0,0,0,0|1,0,0]=3 285 B6R0.6 O=CCCCC=O CNP0204417.0 [2,0,0,0,0,0|1,0,1]=4 286 B6R0.6 OCCCCCO CNP0201249.0 [2,0,0,0,0,0|1,0,0]=3 287 B6R0.6 OCCNCCO CNP0247543.0 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.6 OCCOCCO CNP0333860.0 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.6 OCCSCCO CNP0335773.0 [2,0,0,0,0,0|2,0,0]=4 290 B8R0.1 C=CCC(O)CCCC CNP0566566.0 [1,1,0,0,0,0|1,0,0]=3 291 B8R0.1 C=CCC[C@@H](O)CCC CNP0196626.2 [1,1,0,0,0,0|1,0,0]=3 292 B8R0.1 C=CCC[C@H](O)CCC CNP0196626.1 [1,1,0,0,0,0|1,0,0]=3 293 B8R0.1 CC=CCC(O)CCC CNP0497599.0 [1,1,0,0,0,0|1,0,1]=4 294 B8R0.1 CCCC(S)CCOC CNP0309037.0 [1,1,0,0,0,0|0,0,1]=3 295 B8R0.1 CCCC[C@H](C)CCC CNP0319238.1 [1,1,0,0,0,0|1,0,1]=4 296 B8R0.1 CCCC[C@H](O)CCC CNP0195357.1 [1,1,0,0,0,0|1,0,1]=4 297 B8R0.1 CCC[C@@H](C)CCCO CNP0421179.1 [1,1,0,0,0,0|0,0,2]=4 298 B8R0.1 CCOC(=O)CCC=O CNP0576338.0 [1,1,0,0,0,0|1,0,1]=4 299 B8R0.1 NCCCC(N)CC=O CNP0515515.0 [1,1,0,0,0,0|1,0,0]=3 300 B8R0.6 C=CC(=O)CCCCC CNP0297364.0 [1,1,0,0,0,0|1,0,1]=4 301 B8R0.6 C=C[C@@H](O)CCCCC CNP0246419.1 [1,1,0,0,0,0|1,0,0]=3 302 B8R0.6 C=C[C@H](O)CCCCC CNP0246419.2 [1,1,0,0,0,0|1,0,0]=3 303 B8R0.6 CC=C(O)CCCCC CNP0174345.0 [1,1,0,0,0,0|1,0,1]=4 304 B8R0.6 CCCCC=C(C)C=O CNP0586407.0 [1,1,0,0,0,0|0,0,2]=4 305 B8R0.6 CCCCCC(=O)OC CNP0192346.0 [1,1,0,0,0,0|0,0,2]=4 306 B8R0.6 CCCCCC(S)SC CNP0002612.0 [1,1,0,0,0,0|0,1,1]=4 307 B8R0.6 CCCCC[C@@H](O)CC CNP0204116.1 [1,1,0,0,0,0|1,0,1]=4 308 B8R0.6 CCCCC[C@H](C)CC CNP0121781.1 [1,1,0,0,0,0|1,0,1]=4 309 B8R0.6 CCCCC[C@H](O)CC CNP0204116.2 [1,1,0,0,0,0|1,0,1]=4 310 B8R0.6 CCCCC[C@H](O)CO CNP0528306.1 [1,1,0,0,0,0|0,0,2]=4 311 B8R0.6 CCCCO[C@H](C)OC CNP0139681.1 [1,1,0,0,0,0|1,0,1]=4 312 B8R0.6 CC[C@@H](C)CCCCO CNP0076966.2 [1,1,0,0,0,0|0,0,2]=4 313 B8R0.6 CC[C@H](C)CCCCO CNP0076966.1 [1,1,0,0,0,0|0,0,2]=4 314 B8R0.6 NCCCCC(N)C=O CNP0581320.0 [1,1,0,0,0,0|1,0,0]=3 315 B8R0.7 C=C(O)CCCCCC CNP0584840.0 [1,1,0,0,0,0|0,0,1]=3 316 B8R0.7 C=CCCCCC(=O)C CNP0179576.0 [1,1,0,0,0,0|0,0,2]=4 317 B8R0.7 C=CCCCCC(C)O CNP0002843.0 [1,1,0,0,0,0|1,0,0]=3 318 B8R0.7 C=CCCCOC(=O)C CNP0186159.0 [1,1,0,0,0,0|0,0,2]=4 319 B8R0.7 CC(=CCCCC=O)C CNP0514464.0 [1,1,0,0,0,0|0,0,2]=4 320 B8R0.7 CC(=O)NCCCC=O CNP0083670.0 [1,1,0,0,0,0|1,0,1]=4 321 B8R0.7 CC(=O)NCCCCN CNP0279373.0 [1,1,0,0,0,0|2,0,0]=4 322 B8R0.7 CC(C)CCCCC=O CNP0244483.0 [1,1,0,0,0,0|0,0,0]=2 323 B8R0.7 CC(C)CCCCCO CNP0090200.0 [1,1,0,0,0,0|0,0,2]=4 324 B8R0.7 CC=CCCCC(=O)C CNP0074972.0 [1,1,0,0,0,0|0,0,2]=4 325 B8R0.7 CC=CCCCC(=O)O CNP0248463.0 [1,1,0,0,0,0|0,0,2]=4 326 B8R0.7 CCC=CCCC(=O)C CNP0225225.0 [1,1,0,0,0,0|0,0,2]=4 327 B8R0.7 CCC=CCCC(=O)Cl CNP0194264.0 [1,1,0,0,0,0|0,0,2]=4 328 B8R0.7 CCC=CCCC(=O)O CNP0132792.0 [1,1,0,0,0,0|0,0,2]=4 329 B8R0.7 CCCCC=CC(=O)C CNP0125606.0 [1,1,0,0,0,0|0,0,2]=4 330 B8R0.7 CCCCC=CC(=O)O CNP0199006.0 [1,1,0,0,0,0|0,0,2]=4 331 B8R0.7 CCCCCC=C(C)C CNP0153071.0 [1,1,0,0,0,0|1,0,1]=4 332 B8R0.7 CCCCCC=C(C)O CNP0546798.0 [1,1,0,0,0,0|0,0,2]=4 333 B8R0.7 CCCCCCC(=O)C CNP0325160.0 [1,1,0,0,0,0|0,0,0]=2 334 B8R0.7 CCCCCCC(=O)Cl CNP0211048.0 [1,1,0,0,0,0|0,0,0]=2 335 B8R0.7 CCCCCCC(=O)N CNP0248097.0 [1,1,0,0,0,0|0,0,0]=2 336 B8R0.7 CCCCCCC(=O)O CNP0141686.0 [1,1,0,0,0,0|0,0,0]=2 337 B8R0.7 CCCCCCC(C)C CNP0161146.0 [1,1,0,0,0,0|1,0,1]=4 338 B8R0.7 CCCCCC[C@@H](C)Cl CNP0248103.2 [1,1,0,0,0,0|1,0,1]=4 339 B8R0.7 CCCCCC[C@@H](C)O CNP0419289.1 [1,1,0,0,0,0|0,0,2]=4 340 B8R0.7 CCCCCC[C@H](C)Cl CNP0248103.1 [1,1,0,0,0,0|1,0,1]=4 341 B8R0.7 CCCCCC[C@H](C)O CNP0419289.2 [1,1,0,0,0,0|0,0,2]=4 342 B8R0.7 CCCCCC[N+](=O)O CNP0515303.0 [1,1,0,0,0,0|1,0,0]=3 343 B8R0.7 CCCCCC[N+](=O)[O-] CNP0518178.0 [1,1,0,0,0,0|1,0,0]=3 344 B8R0.7 CCCCCOC(=O)C CNP0227990.0 [1,1,0,0,0,0|0,0,0]=2 345 B8R0.7 CCCCOCC(=O)O CNP0524848.0 [1,1,0,0,0,0|1,0,0]=3 346 B8R0.7 CCCOCCC(=O)C CNP0376956.0 [1,1,0,0,0,0|1,0,0]=3 347 B8R0.7 COCCCOC(=O)C CNP0076800.0 [1,1,0,0,0,0|1,0,0]=3 348 B8R0.7 CSCCCOC(=O)C CNP0179840.0 [1,1,0,0,0,0|1,0,0]=3 349 B8R0.7 NCCCCCC(=O)O CNP0337210.0 [1,1,0,0,0,0|1,0,0]=3 350 B8R0.7 NCCCCNC(=O)N CNP0414848.0 [1,1,0,0,0,0|2,0,0]=4 351 B8R0.7 O=C(O)CCCCCO CNP0079830.0 [1,1,0,0,0,0|1,0,0]=3 352 B8R0.7 O=CCCCCC(=O)O CNP0080387.0 [1,1,0,0,0,0|1,0,1]=4 353 B10R0.3 C=C(C)CCC[C@@H](C)CC=O CNP0306667.1 [0,2,0,0,0,0|1,0,1]=4 354 B10R0.3 C=C(C)CCC[C@H](C)CC=O CNP0306667.2 [0,2,0,0,0,0|1,0,1]=4 355 B10R0.3 CCCC(=O)CCCC(=O)O CNP0236856.0 [0,2,0,0,0,0|1,0,1]=4 356 B10R0.3 CCCC(S)CCOC(=O)C CNP0028770.0 [0,2,0,0,0,0|0,0,0]=2 357 B10R0.3 CCC[C@H](O)CCCC(=O)O CNP0268932.1 [0,2,0,0,0,0|1,0,0]=3 358 B10R0.4 C#CCCCCCCC(=O)O CNP0210082.0 [0,2,0,0,0,0|1,0,1]=4 359 B10R0.4 C=CCCCCCCC(=O)C CNP0610554.0 [0,2,0,0,0,0|1,0,1]=4 360 B10R0.4 C=CCCCCCCC(=O)O CNP0373603.0 [0,2,0,0,0,0|1,0,1]=4 361 B10R0.4 CC(=O)CCCCCCCO CNP0300431.0 [0,2,0,0,0,0|1,0,0]=3 362 B10R0.4 CC(C)CCCCCCC=O CNP0143553.0 [0,2,0,0,0,0|1,0,0]=3 363 B10R0.4 CC=CCCCCCC(=O)N CNP0547427.0 [0,2,0,0,0,0|1,0,1]=4 364 B10R0.4 CC=CCCCCCC(=O)O CNP0377539.0 [0,2,0,0,0,0|1,0,1]=4 365 B10R0.4 CCCC=CCCCC(=O)C CNP0301086.0 [0,2,0,0,0,0|1,0,1]=4 366 B10R0.4 CCCC=CCCOC(=O)C CNP0002801.0 [0,2,0,0,0,0|0,0,1]=3 367 B10R0.4 CCCCC=CCOC(=O)C CNP0160804.0 [0,2,0,0,0,0|0,0,1]=3 368 B10R0.4 CCCCCC#CCC(=O)O CNP0483234.0 [0,2,0,0,0,0|1,0,1]=4 369 B10R0.4 CCCCCC=CCC(=O)Cl CNP0233284.0 [0,2,0,0,0,0|1,0,1]=4 370 B10R0.4 CCCCCC=CCC(=O)O CNP0118439.0 [0,2,0,0,0,0|1,0,1]=4 371 B10R0.4 CCCCCC=COC(=O)C CNP0612173.0 [0,2,0,0,0,0|0,0,1]=3 372 B10R0.4 CCCCCCC=CC(=O)C CNP0080012.0 [0,2,0,0,0,0|1,0,0]=3 373 B10R0.4 CCCCCCC=CC(=O)Cl CNP0311075.0 [0,2,0,0,0,0|1,0,0]=3 374 B10R0.4 CCCCCCC=CC(=O)N CNP0333692.0 [0,2,0,0,0,0|1,0,0]=3 375 B10R0.4 CCCCCCC=CC(=O)O CNP0197358.0 [0,2,0,0,0,0|1,0,0]=3 376 B10R0.4 CCCCCCC=CC(C)O CNP0160624.0 [0,2,0,0,0,0|1,0,1]=4 377 B10R0.4 CCCCCCCCC(=O)C CNP0137224.0 [0,2,0,0,0,0|1,0,0]=3 378 B10R0.4 CCCCCCCCC(=O)Cl CNP0335918.0 [0,2,0,0,0,0|1,0,0]=3 379 B10R0.4 CCCCCCCCC(=O)N CNP0030071.0 [0,2,0,0,0,0|1,0,0]=3 380 B10R0.4 CCCCCCCCC(=O)O CNP0128686.0 [0,2,0,0,0,0|1,0,0]=3 381 B10R0.4 CCCCCCCOC(=O)C CNP0188286.0 [0,2,0,0,0,0|0,0,0]=2 382 B10R0.4 CCCCOCCOC(=O)C CNP0523859.0 [0,2,0,0,0,0|0,0,0]=2 383 B10R0.4 CCCCOCCOC(C)O CNP0572466.0 [0,2,0,0,0,0|0,0,2]=4 384 B10R0.4 CSCCCCCNC(=N)S CNP0609535.0 [0,2,0,0,0,0|1,1,0]=4 385 B10R0.4 CSCCCCCNC(=S)N CNP0380600.0 [0,2,0,0,0,0|1,1,0]=4 386 B10R0.4 NCCCCCCCC(=O)O CNP0083009.0 [0,2,0,0,0,0|1,0,0]=3 387 B10R0.4 NCCCCNCCC(=O)O CNP0200835.0 [0,2,0,0,0,0|2,0,0]=4 388 B10R0.4 NCCCNCCCC(=O)O CNP0263433.0 [0,2,0,0,0,0|2,0,0]=4 389 B10R0.4 O=C(O)CCCCCCCBr CNP0047889.0 [0,2,0,0,0,0|1,0,0]=3 390 B10R0.4 O=C(O)CCCCCCCO CNP0173199.0 [0,2,0,0,0,0|1,0,0]=3 391 B10R0.6 CCCCCC(=O)CC(=O)O CNP0414310.0 [0,2,0,0,0,0|1,0,1]=4 392 B10R0.6 CCCCCC(C)CC(=O)O CNP0541477.0 [0,2,0,0,0,0|1,0,0]=3 393 B10R0.6 CCCCC[C@@H](O)CC(=O)O CNP0264958.1 [0,2,0,0,0,0|1,0,0]=3 394 B10R0.6 CCCCC[C@H](C)OC(=O)C CNP0202341.1 [0,2,0,0,0,0|0,0,0]=2 395 B10R0.6 CCCCC[C@H](O)CC(=O)O CNP0264958.2 [0,2,0,0,0,0|1,0,0]=3 396 B10R0.6 NCCCCC(N)CC(=O)O CNP0335565.0 [0,2,0,0,0,0|2,0,0]=4 397 B10R0.22 CCCCCCOP(=O)(O)O CNP0611690.0 [0,2,0,0,0,0|1,0,0]=3 398 B10R0.22 CCCCCCOS(=O)(=O)O CNP0217197.0 [0,2,0,0,0,0|1,0,0]=3 399 B10R0.55 CC(=O)OCCCC(=O)CO CNP0357573.0 [0,2,0,0,0,0|1,0,1]=4 400 B10R0.55 CC[C@H](C)CCCCC(=O)O CNP0159275.1 [0,2,0,0,0,0|1,0,0]=3 401 B10R0.74 C=CC(=O)CCCCCCC CNP0331135.0 [0,2,0,0,0,0|1,0,0]=3 402 B10R0.74 C=CC(O)CCCCCCC CNP0002593.0 [0,2,0,0,0,0|2,0,0]=4 403 B10R0.74 C=CCCCCCC(C)CC CNP0564356.0 [0,2,0,0,0,0|2,0,0]=4 404 B10R0.74 CCC=CCCOC(=O)CC CNP0215397.0 [0,2,0,0,0,0|0,0,2]=4 405 B10R0.74 CCCC=CCOC(=O)CC CNP0003460.0 [0,2,0,0,0,0|0,0,2]=4 406 B10R0.74 CCCCCC#CC(=O)OC CNP0136635.0 [0,2,0,0,0,0|1,0,1]=4 407 B10R0.74 CCCCCC=CC(=O)OC CNP0344359.0 [0,2,0,0,0,0|1,0,1]=4 408 B10R0.74 CCCCCCCC(=NO)C CNP0204535.0 [0,2,0,0,0,0|1,0,1]=4 409 B10R0.74 CCCCCCCC(=O)CC CNP0252003.0 [0,2,0,0,0,0|1,0,0]=3 410 B10R0.74 CCCCCCCC(=O)OC CNP0276319.0 [0,2,0,0,0,0|1,0,0]=3 411 B10R0.74 CCCCCCCC(=O)OO CNP0355653.0 [0,2,0,0,0,0|1,0,0]=3 412 B10R0.74 CCCCCCCC(=O)SC CNP0611999.0 [0,2,0,0,0,0|1,0,0]=3 413 B10R0.74 CCCCCCOC(=O)CC CNP0139015.0 [0,2,0,0,0,0|0,0,0]=2 414 B10R0.75 CCCCCCC(=O)C(=O)O CNP0261297.0 [0,2,0,0,0,0|1,0,0]=3 415 B10R0.75 CCCCCC[C@@H](C)C(=O)O CNP0199181.1 [0,2,0,0,0,0|1,0,0]=3 416 B10R0.75 CCCCCC[C@@H](N)C(=O)O CNP0110183.2 [0,2,0,0,0,0|1,0,0]=3 417 B10R0.75 CCCCCC[C@@H](O)C(=O)O CNP0036697.1 [0,2,0,0,0,0|1,0,0]=3 418 B10R0.75 CCCCCC[C@H](N)C(=O)O CNP0110183.1 [0,2,0,0,0,0|1,0,0]=3 419 B10R0.75 CCCCCC[C@H](O)C(=O)O CNP0036697.2 [0,2,0,0,0,0|1,0,0]=3 420 B10R0.75 CCCCSC[C@H](N)C(=O)O CNP0563625.1 [0,2,0,0,0,0|2,0,0]=4 421 B10R0.75 CNCCCC[C@H](N)C(=O)O CNP0107109.1 [0,2,0,0,0,0|2,0,0]=4 422 B10R0.75 CSCCCCC(=O)C(=O)O CNP0359337.0 [0,2,0,0,0,0|2,0,0]=4 423 B10R0.75 CSCCCC[C@H](N)C(=O)O CNP0359103.1 [0,2,0,0,0,0|2,0,0]=4 424 B10R0.75 NCCCCCC(N)C(=O)O CNP0609957.0 [0,2,0,0,0,0|2,0,0]=4 425 B10R0.78 CCCC[C@@H](C)CCC(=O)O CNP0415190.1 [0,2,0,0,0,0|1,0,0]=3 426 B10R0.97 CC(=O)CCCCCC(C)C CNP0576266.0 [0,2,0,0,0,0|1,0,0]=3 427 B10R0.97 CC(=O)OCCCOC(=O)C CNP0501708.0 [0,2,0,0,0,0|1,0,1]=4 428 B10R0.97 CC(C)CCCCCC(=O)O CNP0505737.0 [0,2,0,0,0,0|1,0,0]=3 429 B10R0.97 CC(O)CCCC=CC(=O)O CNP0535647.0 [0,2,0,0,0,0|1,0,1]=4 430 B10R0.97 CC(O)CCCCCC(=O)O CNP0406993.0 [0,2,0,0,0,0|1,0,0]=3 431 B10R0.1 CCCCCCC(=O)OCC CNP0228643.0 [0,2,0,0,0,0|1,0,1]=4 432 B10R0.1 CCCCCC[C@@H](C)NC=O CNP0510552.1 [0,2,0,0,0,0|1,0,0]=3 433 B10R0.1 CCCCCO[C@H](C)OCC CNP0125234.1 [0,2,0,0,0,0|1,0,1]=4 434 B10R0.91 C=CCCC(C)CCCCC CNP0083054.0 [0,2,0,0,0,0|2,0,0]=4 435 B10R0.91 C=CCOC(=O)CCCCC CNP0190608.0 [0,2,0,0,0,0|1,0,1]=4 436 B10R0.91 CCCCCC(=O)C=CC=O CNP0346772.0 [0,2,0,0,0,0|1,0,1]=4 437 B10R0.91 CCCCCC(=O)CCC=O CNP0301067.0 [0,2,0,0,0,0|1,0,0]=3 438 B10R0.91 CCCCC[C@@H](O)/C=C/C=O CNP0377024.2 [0,2,0,0,0,0|1,0,0]=3 439 B10R0.91 CCCCC[C@H](O)/C=C/C=O CNP0377024.1 [0,2,0,0,0,0|1,0,0]=3 440 B10R0.91 CCCC[C@H](C)CCCC=O CNP0163633.1 [0,2,0,0,0,0|1,0,0]=3 441 B10R0.71 C=CCC=CCCCCCC CNP0017831.0 [0,2,0,0,0,0|2,0,0]=4 442 B10R0.71 C=CCCC=CCCCCC CNP0165546.0 [0,2,0,0,0,0|2,0,0]=4 443 B10R0.71 C=CCCCCCC=CC=O CNP0192326.0 [0,2,0,0,0,0|1,0,1]=4 444 B10R0.71 C=CCCCCCCCC=C CNP0610531.0 [0,2,0,0,0,0|2,0,0]=4 445 B10R0.71 C=CCCCCCCCC=O CNP0003049.0 [0,2,0,0,0,0|1,0,0]=3 446 B10R0.71 C=CCCCCCCCCC CNP0159463.0 [0,2,0,0,0,0|2,0,0]=4 447 B10R0.71 C=CCCCCCCCCO CNP0359327.0 [0,2,0,0,0,0|2,0,0]=4 448 B10R0.71 CC=CCCCCCCCC CNP0174654.0 [0,2,0,0,0,0|2,0,0]=4 449 B10R0.71 CCC=CCCCCCCC CNP0194721.0 [0,2,0,0,0,0|2,0,0]=4 450 B10R0.71 CCC=CCCCCCCO CNP0316558.0 [0,2,0,0,0,0|2,0,0]=4 451 B10R0.71 CCCC=CCCCCC=O CNP0001519.0 [0,2,0,0,0,0|1,0,0]=3 452 B10R0.71 CCCC=CCCCCCC CNP0153165.0 [0,2,0,0,0,0|2,0,0]=4 453 B10R0.71 CCCCC=CCCCC=O CNP0003436.0 [0,2,0,0,0,0|1,0,0]=3 454 B10R0.71 CCCCCC=CC=CC=O CNP0213382.0 [0,2,0,0,0,0|1,0,1]=4 455 B10R0.71 CCCCCC=CCCC=O CNP0153870.0 [0,2,0,0,0,0|1,0,0]=3 456 B10R0.71 CCCCCCC=CCCO CNP0105271.0 [0,2,0,0,0,0|1,0,1]=4 457 B10R0.71 CCCCCCCC=CC=O CNP0164061.0 [0,2,0,0,0,0|1,0,0]=3 458 B10R0.71 CCCCCCCC=CCO CNP0212450.0 [0,2,0,0,0,0|1,0,1]=4 459 B10R0.71 CCCCCCCCC=NO CNP0307594.0 [0,2,0,0,0,0|1,0,1]=4 460 B10R0.71 CCCCCCCCCC=O CNP0263174.0 [0,2,0,0,0,0|1,0,0]=3 461 B10R0.71 CCCCCCCCOC=O CNP0223737.0 [0,2,0,0,0,0|0,0,0]=2 462 B10R0.71 CCCCCCCCOCC CNP0319929.0 [0,2,0,0,0,0|1,0,1]=4 463 B10R0.71 CCCCOCCOCCO CNP0079968.0 [0,2,0,0,0,0|0,0,2]=4 464 B10R0.71 CCOCCOCCOCC CNP0581610.0 [0,2,0,0,0,0|1,0,1]=4 465 B10R0.71 CSCCCCCCC=NO CNP0274006.0 [0,2,0,0,0,0|1,0,1]=4 466 B10R0.59 CCC(C)CCCC(C)C=O CNP0002769.0 [0,2,0,0,0,0|1,0,0]=3 467 B10R0.62 [2H]C([2H])(CC)CCCOCC CNP0539193.0 [0,2,0,0,0,0|1,0,1]=4 468 B8R1.2 BrC[C@@H]1C=CCCC1 CNP0302852.1 [1,0,0,1,0,0|2,0,0]=4 469 B8R1.2 CCC1=CCCCC1 CNP0080676.0 [1,0,0,1,0,0|1,0,1]=4 470 B8R1.2 CCC1CCCCC1 CNP0300322.0 [1,0,0,1,0,0|1,0,1]=4 471 B8R1.2 CC[C@@H]1CCCCO1 CNP0273678.2 [1,0,0,1,0,0|0,0,2]=4 472 B8R1.2 CC[C@H]1C=CCCC1 CNP0103483.1 [1,0,0,1,0,0|1,0,0]=3 473 B8R1.2 CC[C@H]1CCCCO1 CNP0273678.1 [1,0,0,1,0,0|0,0,2]=4 474 B8R1.2 CNC1CCCCC1 CNP0474937.0 [1,0,0,1,0,0|1,0,1]=4 475 B8R1.2 NCC1CCCCC1 CNP0581484.0 [1,0,0,1,0,0|1,0,1]=4 476 B8R1.2 O=CC1=CCCCC1 CNP0075083.0 [1,0,0,1,0,0|0,0,2]=4 477 B8R1.2 O=CC1CC=CCC1 CNP0106039.0 [1,0,0,1,0,0|0,0,2]=4 478 B8R1.2 O=CC1CCCCC1 CNP0419979.0 [1,0,0,1,0,0|0,0,0]=2 479 B8R1.2 O=CN1CCCCC1 CNP0187689.0 [1,0,0,1,0,0|1,0,0]=3 480 B8R1.2 O=CN1CCOCC1 CNP0250987.0 [1,0,0,1,0,0|2,0,0]=4 481 B8R1.2 O=NN1CCCCC1 CNP0313974.0 [1,0,0,1,0,0|2,0,0]=4 482 B8R1.2 OCC1C=CCCC1 CNP0213790.0 [1,0,0,1,0,0|2,0,0]=4 483 B8R1.2 OC[C@@H]1CCCOC1 CNP0568032.1 [1,0,0,1,0,0|1,0,1]=4 484 B8R1.2 OC[C@H]1CCCOC1 CNP0568032.2 [1,0,0,1,0,0|1,0,1]=4 485 B8R1.2 [C-]#[N+]C1CCCCC1 CNP0554147.0 [1,0,0,1,0,0|1,0,1]=4 486 B8R1.5 C=C1CCCCC1C CNP0595985.0 [1,0,0,1,0,0|1,0,0]=3 487 B8R1.5 CC1CCCC=C1Cl CNP0566805.0 [1,0,0,1,0,0|1,0,1]=4 488 B8R1.5 CC1CCCCC1=O CNP0003363.0 [1,0,0,1,0,0|0,0,0]=2 489 B8R1.5 CC1CCCCC1O CNP0610101.0 [1,0,0,1,0,0|0,0,2]=4 490 B8R1.5 CC1CCCOC1=O CNP0340524.0 [1,0,0,1,0,0|0,0,0]=2 491 B8R1.5 C[C@@H]1CCCC[C@@H]1C CNP0309502.2 [1,0,0,1,0,0|1,0,1]=4 492 B8R1.5 C[C@@H]1CCCC[C@H]1C CNP0309502.1 [1,0,0,1,0,0|1,0,1]=4 493 B8R1.5 N[C@@H]1CCCNC1=O CNP0274946.1 [1,0,0,1,0,0|2,0,0]=4 494 B8R1.5 O=C1CCCCC1=O CNP0610133.0 [1,0,0,1,0,0|1,0,1]=4 495 B8R1.5 O=C1CCCCC1O CNP0610127.0 [1,0,0,1,0,0|1,0,0]=3 496 B8R1.8 CCCC1CCCC1 CNP0271421.0 [1,0,0,1,0,0|1,0,1]=4 497 B8R1.8 CCCC1CCSS1 CNP0313862.0 [1,0,0,1,0,0|0,2,0]=4 498 B8R1.8 COC[C@@H]1CCCN1 CNP0414825.1 [1,0,0,1,0,0|1,0,1]=4 499 B8R1.8 O=CCC1CC=CC1 CNP0086435.0 [1,0,0,1,0,0|0,0,2]=4 500 B8R1.10 CCCCC1CCC1 CNP0281769.0 [1,0,0,1,0,0|1,0,1]=4 501 B8R1.11 CCC1=C(CCC1)C CNP0488475.0 [1,0,0,1,0,0|1,0,1]=4 502 B8R1.11 CCC1=CCCC1=O CNP0033334.0 [1,0,0,1,0,0|0,0,2]=4 503 B8R1.11 CCC1CCCC1=O CNP0494839.0 [1,0,0,1,0,0|0,0,0]=2 504 B8R1.11 CCC1SCCC1=O CNP0185206.0 [1,0,0,1,0,0|1,0,0]=3 505 B8R1.11 CC[C@@H]1CC=CC1=O CNP0060906.1 [1,0,0,1,0,0|0,0,2]=4 506 B8R1.11 CC[C@@H]1CCC[C@H]1C CNP0227551.1 [1,0,0,1,0,0|1,0,1]=4 507 B8R1.11 CC[C@H]1CC=CC1=O CNP0060906.2 [1,0,0,1,0,0|0,0,2]=4 508 B8R1.11 CC[C@H]1CCNC1=O CNP0289303.1 [1,0,0,1,0,0|1,0,0]=3 509 B8R1.11 N#CC1CCCC1=O CNP0500496.0 [1,0,0,1,0,0|1,0,1]=4 510 B8R1.22 CC1CCCCCC1 CNP0214318.0 [1,0,0,1,0,0|1,0,1]=4 511 B8R1.22 NC1=NCCCCC1 CNP0446960.0 [1,0,0,1,0,0|2,0,0]=4 512 B8R1.22 NC1=[NH+]CCCCC1 CNP0594018.0 [1,0,0,1,0,0|2,0,0]=4 513 B8R1.22 O=C1CC=CCCC1 CNP0354385.0 [1,0,0,1,0,0|0,0,2]=4 514 B8R1.22 O=C1CCCCCC1 CNP0486939.0 [1,0,0,1,0,0|0,0,0]=2 515 B8R1.22 O=C1CCCCCN1 CNP0157959.0 [1,0,0,1,0,0|1,0,0]=3 516 B8R1.22 O=C1CCCCCO1 CNP0358428.0 [1,0,0,1,0,0|0,0,0]=2 517 B8R1.22 O=C1NCCCCN1 CNP0433632.0 [1,0,0,1,0,0|2,0,0]=4 518 B8R1.22 OC1=NCCCCC1 CNP0523769.0 [1,0,0,1,0,0|1,0,1]=4 519 B8R1.36 CCCCCC1CC1 CNP0610547.0 [1,0,0,1,0,0|1,0,1]=4 520 B8R1.36 CCCOCC1CO1 CNP0085753.0 [1,0,0,1,0,0|1,0,1]=4 521 B8R1.49 C1=CCCCCCC1 CNP0354381.0 [1,0,0,1,0,0|1,0,0]=3 522 B10R1.10 C/C=C/[C@@H]1CCC[C@@H](N1)C CNP0335648.1 [0,1,0,1,0,0|2,0,0]=4 523 B10R1.10 C/C=C/[C@H]1CCC[C@H](N1)C CNP0335648.2 [0,1,0,1,0,0|2,0,0]=4 524 B10R1.10 CCC=C1CCOC(=O)C1 CNP0206629.0 [0,1,0,1,0,0|0,0,2]=4 525 B10R1.10 CCCC1CCCC(=O)O1 CNP0002778.0 [0,1,0,1,0,0|1,0,0]=3 526 B10R1.10 CCC[C@@H]1CC=CC(=O)O1 CNP0289173.2 [0,1,0,1,0,0|1,0,1]=4 527 B10R1.10 CCC[C@@H]1CCO[C@@H](S1)C CNP0106834.1 [0,1,0,1,0,0|0,1,1]=4 528 B10R1.10 CCC[C@H]1CC=CC(=O)O1 CNP0289173.1 [0,1,0,1,0,0|1,0,1]=4 529 B10R1.10 CCC[C@H]1CCO[C@H](S1)C CNP0106834.2 [0,1,0,1,0,0|0,1,1]=4 530 B10R1.16 CCCCC1COC(=O)C1 CNP0495814.0 [0,1,0,1,0,0|0,0,0]=2 531 B10R1.16 CCCC[C@@H]1CCC(=O)O1 CNP0194903.2 [0,1,0,1,0,0|1,0,0]=3 532 B10R1.16 CCCC[C@H]1CCC(=O)O1 CNP0194903.1 [0,1,0,1,0,0|1,0,0]=3 533 B10R1.16 O=C1CCC(N1)CCCO CNP0499401.0 [0,1,0,1,0,0|2,0,0]=4 534 B10R1.18 CC(=O)C[C@@H]1CCCCN1 CNP0264302.2 [0,1,0,1,0,0|2,0,0]=4 535 B10R1.18 CC(=O)C[C@H]1CCCCN1 CNP0264302.1 [0,1,0,1,0,0|2,0,0]=4 536 B10R1.18 CC(=O)OC1CCCCC1 CNP0044081.0 [0,1,0,1,0,0|0,0,0]=2 537 B10R1.18 CC(C)CC1C=CCCC1 CNP0511862.0 [0,1,0,1,0,0|2,0,0]=4 538 B10R1.18 CC(C)CC1CC=CCC1 CNP0084870.0 [0,1,0,1,0,0|2,0,0]=4 539 B10R1.18 NC(=O)C[C@@H]1CCCCN1 CNP0009851.2 [0,1,0,1,0,0|2,0,0]=4 540 B10R1.18 NC(=O)C[C@H]1CCCCN1 CNP0009851.1 [0,1,0,1,0,0|2,0,0]=4 541 B10R1.18 O=C(O)CC1CCCCC1 CNP0176058.0 [0,1,0,1,0,0|1,0,0]=3 542 B10R1.18 O=C(O)CC1CCCCN1 CNP0570385.0 [0,1,0,1,0,0|2,0,0]=4 543 B10R1.18 O=C(O)CC1CCNCC1 CNP0062829.0 [0,1,0,1,0,0|2,0,0]=4 544 B10R1.38 CC1(CCCCC1C=O)C CNP0462462.0 [0,1,0,1,0,0|1,0,0]=3 545 B10R1.39 CO[C@H]1CCCN1C(=O)N CNP0298876.1 [0,1,0,1,0,0|2,0,0]=4 546 B10R1.61 C=C(C)C1CCCCC1C CNP0582122.0 [0,1,0,1,0,0|2,0,0]=4 547 B10R1.61 CC(C)C1CCCCC1=O CNP0486183.0 [0,1,0,1,0,0|1,0,0]=3 548 B10R1.61 CC(C)C1OCCNC1=O CNP0105827.0 [0,1,0,1,0,0|2,0,0]=4 549 B10R1.61 CC1=C(CCCO1)C(C)C CNP0344846.0 [0,1,0,1,0,0|1,0,1]=4 550 B10R1.61 CN1CCCCC1C(=O)O CNP0605606.0 [0,1,0,1,0,0|2,0,0]=4 551 B10R1.64 CC(=O)C[C@@H]1CCCN1C CNP0132643.1 [0,1,0,1,0,0|2,0,0]=4 552 B10R1.64 CC(=O)C[C@H]1CCCN1C CNP0132643.2 [0,1,0,1,0,0|2,0,0]=4 553 B10R1.64 CC(=O)N[C@H]1CCOC1=O CNP0535066.1 [0,1,0,1,0,0|1,0,1]=4 554 B10R1.64 CN1CCC[C@H]1CC(=O)O CNP0174997.1 [0,1,0,1,0,0|2,0,0]=4 555 B10R1.66 CC(=O)OC[C@@H]1CCCO1 CNP0114315.1 [0,1,0,1,0,0|1,0,0]=3 556 B10R1.66 CC(=O)OC[C@H]1CCCO1 CNP0114315.2 [0,1,0,1,0,0|1,0,0]=3 557 B10R1.66 O=C(O)CC[C@H]1CCCN1 CNP0429494.1 [0,1,0,1,0,0|2,0,0]=4 558 B10R1.78 O=C1CCC=CCCCC1 CNP0611873.0 [0,1,0,1,0,0|1,0,1]=4 559 B10R1.78 O=C1CCCCCCCC1 CNP0106072.0 [0,1,0,1,0,0|1,0,0]=3 560 B10R1.162 CN[C@@H]1CCCCC(=O)C1 CNP0162632.1 [0,1,0,1,0,0|2,0,0]=4 561 B10R1.162 CN[C@H]1CCCCC(=O)C1 CNP0162632.2 [0,1,0,1,0,0|2,0,0]=4 562 B10R1.300 C=C1CCCCCC1(C)O CNP0611548.0 [0,1,0,1,0,0|2,0,0]=4 563 B10R1.348 O=C(O)C1CCCCCC1 CNP0331995.0 [0,1,0,1,0,0|1,0,0]=3 564 B10R1.348 O=C(O)[C@@H]1CCCCCN1 CNP0320968.2 [0,1,0,1,0,0|2,0,0]=4 565 B10R1.348 O=C(O)[C@H]1CCCCCN1 CNP0320968.1 [0,1,0,1,0,0|2,0,0]=4 566 B10R1.21 CCCCCC1=CC=CO1 CNP0210535.0 [0,1,0,1,0,0|1,0,1]=4 567 B10R1.21 CCCCCC1=CN=CO1 CNP0197497.0 [0,1,0,1,0,0|1,0,1]=4 568 B10R1.21 CCCCCC1=NC=CO1 CNP0420572.0 [0,1,0,1,0,0|1,0,1]=4 569 B10R1.25 O=C[C]1CCC(CC1O)O CNP0588610.0 [0,1,0,1,0,0|2,0,0]=4 570 B10R1.29 C=CCCC1CCOC1=O CNP0609800.0 [0,1,0,1,0,0|0,0,1]=3 571 B10R1.29 CCCCC1CCOC1=O CNP0086360.0 [0,1,0,1,0,0|0,0,0]=2 572 B10R1.4 CCCC1CCCOC1=O CNP0416617.0 [0,1,0,1,0,0|0,0,0]=2 573 B10R1.17 O=CCCC1CCCCC1 CNP0417148.0 [0,1,0,1,0,0|1,0,0]=3 574 B10R1.71 O=C1COC(=O)CCCN1 CNP0119732.0 [0,1,0,1,0,0|1,0,1]=4 575 B10R1.7 CC1=C(CCCCCC1)C CNP0076791.0 [0,1,0,1,0,0|2,0,0]=4 576 B10R1.7 O=C1CCCCCCC1=O CNP0611689.0 [0,1,0,1,0,0|1,0,0]=3 577 B10R1.20 O=CN1CCCCC1CO CNP0303118.0 [0,1,0,1,0,0|1,0,0]=3 578 B10R1.185 C1=CCCCCCCCC1 CNP0479476.0 [0,1,0,1,0,0|2,0,0]=4 579 B10R1.1 C/C=C/[C@H]1CC[C@@H](CC1)C CNP0181401.1 [0,1,0,1,0,0|2,0,0]=4 580 B10R1.1 CC1CCC(CC1)N=C=O CNP0522319.0 [0,1,0,1,0,0|1,0,1]=4 581 B10R1.94 CCCC1CCC(=O)C1=O CNP0002635.0 [0,1,0,1,0,0|1,0,0]=3 582 B10R1.149 CCC(C)C1CCCC1=O CNP0505342.0 [0,1,0,1,0,0|1,0,0]=3 583 B10R2.244 O=C1NCCCC2C1O2 CNP0610958.0 [0,0,0,2,0,0|2,0,0]=4 584 B10R2.244 O=C1NCCC[C@@H]2[C@H]1O2 CNP0610958.1 [0,0,0,2,0,0|2,0,0]=4 585 B10R2.7 C1=CC2CCCCC2C1 CNP0590216.0 [0,0,0,2,0,0|2,0,0]=4 586 B10R2.320 O=C1C[C@@H]2N1CCCS2 CNP0187320.1 [0,0,0,2,0,0|2,0,0]=4 587 B10R2.32 O=C1CCC2N1CCC2 CNP0336616.0 [0,0,0,2,0,0|1,0,0]=3 588 B10R2.36 O=C1[C@@H]2CC[C@@H]([C@H]1C2)O CNP0519128.1 [0,0,0,2,0,0|2,0,0]=4 589 B10R2.2 O=C1C=C2CCCC2C1 CNP0500354.0 [0,0,0,2,0,0|1,0,1]=4